#DEFINITION	Reference Metabolome for Cercis glabra
#IDENTTFIER	RefMeta-Cercis glabra.R1
#FORMAT	msr
#VERSION	1.0/R1
#KEYWORDS	RefMeta
#ORGANISM	Cercis glabra
#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 Cercis glabra was generated from multi-tissue LC-MS/MS data with redundance removed
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	999.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01385	1.5
72.99306	12.2
85.02968	0.9
87.00879	24.8
89.02431	1.1
92.10839	1.1
96.96001	1.3
103.00368	5.1
105.01981	1.1
105.70544	1.0
116.94559	0.8
130.99860	1.4
149.00926	70.3
150.90431	0.9
159.04539	3.7
160.05267	1.4
171.10275	1.4
172.05275	12.5
173.06067	3.8
174.06815	1.3
177.02008	1.0
187.03969	4.9
201.05571	4.8
202.06383	7.4
204.04323	3.7
209.11890	14.9
227.03546	2.1
249.07304	0.9
257.15527	1.3
283.13440	100.0
285.14886	1.3
299.16718	1.6
301.14499	22.5
309.15045	11.1
311.12936	6.2
327.12466	1.7
327.16086	28.7
329.13950	1.4
345.16971	4.4
353.14093	1.2
359.18362	1.2
581.26288	4.0
650.88806	0.9
758.09607	1.1
765.30743	1.1
773.37329	3.2
791.38666	28.3
792.38306	1.3
817.36670	1.2
835.22577	2.0
835.37878	44.7
867.40417	24.9
868.39722	1.6
1017.04529	1.0
1028.74377	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	998.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
78.85296	14.9
103.96828	14.7
107.36592	16.0
165.90891	16.3
232.64113	17.1
248.42200	16.4
277.21698	97.2
278.22116	100.0
279.22455	36.5
301.47040	15.5
305.96313	17.5
363.69446	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	999.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	3.0
72.99312	19.7
83.05000	1.4
85.02985	1.5
87.00871	38.6
91.87595	1.2
95.64870	1.4
101.02449	2.4
103.00346	9.4
105.01943	2.4
121.42245	1.3
125.02457	3.2
130.99866	2.2
133.02969	10.3
134.03738	1.8
137.02414	1.8
139.44749	1.1
144.82426	1.4
149.00931	100.0
159.04535	3.2
160.05280	2.0
161.02373	2.1
172.05351	7.7
173.06114	3.1
174.06850	2.8
177.01999	1.5
186.06895	3.0
187.04016	5.8
201.05569	5.5
202.06403	8.3
209.11867	19.2
227.03600	2.0
228.04161	1.6
239.14397	1.7
262.73245	1.3
283.13425	93.2
289.07379	1.3
299.16580	3.1
301.14429	26.5
309.15018	37.3
311.12985	12.5
327.16089	40.8
329.14032	1.5
345.17035	7.4
353.13962	5.5
371.15112	2.3
434.88513	1.4
473.26984	1.3
509.73727	1.4
563.25232	2.1
581.25879	5.1
773.37744	9.9
791.38977	28.9
817.36542	6.6
835.37781	47.2
836.38208	2.4
867.40515	31.2
999.41339	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	981.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
69.45824	0.3
73.02952	1.2
75.60681	0.3
85.99451	0.3
99.00875	0.4
99.92582	10.8
113.69341	0.4
114.93385	0.6
116.92860	100.0
116.97223	2.2
117.01952	1.7
117.92879	1.4
126.26368	0.3
199.09497	0.4
313.19141	1.2
324.61835	0.3
360.64240	0.4
478.85431	0.4
513.32410	0.4
771.86176	0.4
890.37219	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	981.557
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01407	12.5
84.38560	9.2
89.02457	17.2
101.02430	8.7
147.43437	8.9
156.64543	9.0
255.23311	53.3
265.86234	10.1
269.52811	9.3
291.19714	32.9
309.20715	100.0
396.85468	9.0
397.13733	26.2
958.26465	13.5
981.55261	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	989.6066
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	1.5
71.01376	17.6
73.02992	1.7
74.18822	1.4
85.02974	3.0
87.00900	5.8
89.02443	16.4
92.66957	1.3
97.02984	1.8
101.02450	13.0
101.54317	1.4
103.65740	1.9
106.55922	1.3
109.05415	1.4
113.02466	6.8
119.03541	2.6
125.02439	2.8
129.08539	1.4
143.03546	2.6
183.88846	1.7
193.04713	1.6
195.13933	9.9
223.13516	5.9
229.38876	1.6
235.08235	5.1
241.89871	1.7
255.23361	60.1
256.13147	1.8
257.51331	1.4
275.20251	5.5
293.21286	100.0
379.12506	3.1
397.13654	45.3
400.63873	1.6
415.14798	12.1
529.27094	1.5
620.17761	2.0
653.38342	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	995.5962
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	0.7
71.01381	13.2
72.99296	0.5
73.02954	2.3
73.60527	0.4
81.03464	0.4
83.01395	1.5
83.05041	0.4
85.02951	3.1
87.00867	3.7
89.02439	11.8
92.10728	0.5
95.01395	0.6
97.02972	3.5
101.02438	9.9
113.02446	6.1
119.03496	2.4
125.02436	5.5
143.03534	1.0
156.27795	0.4
161.04549	2.5
179.05629	1.6
199.06041	0.5
221.06670	0.9
233.22685	0.4
235.08253	3.9
277.21762	100.0
278.22214	0.7
287.07672	1.5
305.08853	0.9
323.09891	0.6
378.91574	0.4
379.12561	8.8
397.13596	27.6
415.14722	5.1
600.90875	0.5
657.34656	1.4
675.36188	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	971.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
67.72325	36.6
87.70465	40.4
109.77366	39.0
109.78145	39.2
277.21573	100.0
289.30762	38.6
547.89954	52.8
668.91162	47.8
706.21497	46.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	975.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03468	2.2
71.01048	2.8
71.01373	19.3
76.57484	2.0
77.77192	2.2
81.03485	3.0
83.01406	3.3
83.05048	3.4
85.02951	4.0
85.50285	2.1
87.00901	2.3
89.02428	19.7
89.19443	2.1
92.10103	4.8
92.65595	2.0
96.32462	1.9
97.02940	8.6
101.02464	14.9
109.06618	10.8
109.45726	2.5
111.00898	2.3
111.08128	2.7
112.60320	2.2
113.02453	5.1
119.03548	2.6
124.29763	2.5
125.02435	9.6
135.08162	2.6
163.11310	14.3
165.12881	3.3
181.12378	2.8
197.11885	17.8
207.10336	32.9
208.57146	2.2
209.11865	100.0
211.13365	2.5
220.75102	2.5
225.11337	15.2
227.12846	9.7
235.08185	3.2
245.19086	4.9
271.02490	3.1
289.18140	19.3
291.19803	4.5
293.26190	2.1
299.01895	4.0
301.42078	2.5
307.19229	26.7
309.20795	18.2
316.88995	2.5
320.65192	3.0
397.13541	26.9
415.14709	12.7
457.34195	2.4
837.42310	2.8
897.44537	4.0
915.46381	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	977.4978
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01390	12.6
73.02953	1.4
80.02679	1.2
83.01413	1.7
83.05064	6.1
85.02959	4.2
87.00896	1.9
89.02435	15.4
97.02975	1.6
101.02447	13.7
113.02486	7.4
115.20308	1.3
119.03522	2.3
125.02448	5.5
151.90840	1.2
163.11287	10.8
165.12859	11.9
171.10291	1.6
179.05602	1.8
181.12404	2.9
197.11937	1.8
209.11870	100.0
211.13332	1.3
227.13010	10.9
235.08363	2.1
247.20761	7.6
273.18619	2.3
291.17084	1.5
291.19711	73.5
309.20782	92.3
379.12256	1.8
397.13565	33.0
415.14584	12.7
727.94885	1.3
899.46332	1.5
918.57825	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	969.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	0.6
83.01402	3.1
107.01382	9.9
111.00922	0.8
119.04939	0.8
123.00881	3.3
124.01668	10.7
125.02447	16.9
135.04520	1.7
139.00371	1.2
141.01889	1.0
143.05028	1.1
149.48877	0.7
151.00381	27.4
152.01166	89.0
157.06624	0.7
159.04500	0.9
159.08141	1.2
169.01434	4.9
173.06123	1.5
177.01976	0.8
178.99881	95.8
180.00519	1.4
185.06149	5.2
201.05643	1.1
204.28804	0.7
215.07159	1.4
225.05629	2.9
227.07175	53.7
243.06674	2.7
259.06137	28.8
259.08530	0.8
262.97522	0.7
269.04593	55.8
286.04880	4.5
287.05643	11.9
289.07425	0.8
433.11472	100.0
434.11838	1.6
450.77368	0.8
461.04532	0.8
522.04517	0.8
535.11462	1.3
535.18274	31.6
535.26398	1.3
585.43158	0.8
921.91589	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	971.4504
Annotation	Unknow
Peak:m/z	Relative Intensity
68.97186	1.2
70.37469	1.2
71.01383	20.9
73.02941	1.3
85.02951	9.2
87.00838	1.9
87.06622	1.2
89.02454	20.3
95.01358	5.6
96.96003	1.4
101.02444	11.7
113.02480	12.5
119.03501	1.6
125.02414	3.0
133.30156	1.4
134.03735	2.6
135.50545	1.2
136.38321	1.4
142.17053	1.5
146.03732	7.8
159.04523	10.3
160.05289	11.0
161.04500	1.5
165.05498	1.7
172.05298	7.5
173.06096	17.9
174.03218	2.1
174.06746	1.9
175.04048	1.8
177.01950	1.6
186.06819	3.4
187.04030	17.9
201.05614	18.6
202.06389	91.3
203.06819	2.2
209.11845	27.7
211.13454	14.9
283.13446	71.7
283.16669	3.0
285.14896	8.4
299.16589	6.1
301.14456	25.9
309.14828	19.6
315.16138	1.7
327.16077	59.8
328.16846	1.6
345.17078	17.7
390.57458	1.7
507.22610	20.2
509.61258	2.0
525.16333	1.8
525.23846	7.7
618.69934	1.5
743.31348	2.6
761.32660	36.1
761.99213	1.5
791.38007	1.6
953.43585	12.9
971.45044	100.0
972.45929	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	967.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	10.5
73.02961	1.2
80.19243	0.9
82.90583	0.9
85.02982	1.0
87.00916	1.4
89.02436	8.8
97.03009	1.1
101.02451	5.8
103.74744	0.8
111.08230	0.8
113.02466	4.5
116.92867	1.1
125.02449	3.6
127.07554	0.9
138.50133	0.8
161.04578	1.2
167.79102	0.8
195.13927	9.8
205.12422	1.3
223.13397	11.2
228.13608	1.4
235.08482	1.4
249.11247	8.1
256.13315	1.8
267.12100	1.5
275.20267	7.4
293.21280	100.0
300.15921	0.9
397.13693	16.5
415.14603	10.5
569.42517	1.9
691.35553	3.1
772.14532	1.0
828.69165	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3833
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01407	1.2
72.99303	9.7
84.02156	0.9
87.00874	20.6
89.02435	1.0
96.96010	4.5
98.95586	1.0
103.00382	4.6
105.01944	1.0
113.02388	0.7
125.02463	1.0
149.00923	54.3
153.90401	0.7
159.04541	3.0
160.05283	3.2
163.11269	1.1
172.05293	11.5
173.06067	5.4
174.06897	1.3
174.44022	0.8
185.06020	0.9
186.06850	1.3
187.04048	4.9
199.04054	1.1
200.04813	0.8
201.05612	1.3
202.06367	7.6
204.04282	3.5
208.23781	0.8
209.11858	13.1
227.03604	1.5
234.04314	0.8
239.14525	0.7
255.13800	1.1
281.15668	0.9
283.13425	100.0
285.15057	1.5
287.61340	0.7
291.86212	0.7
299.16608	1.3
301.14453	19.5
309.14938	9.0
311.13046	3.4
327.16037	22.6
345.16992	3.1
348.85489	0.8
392.74075	0.7
581.26038	6.5
641.52234	0.9
747.36890	1.4
773.37103	3.0
791.38672	25.4
817.37061	1.5
835.37738	47.4
960.73853	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	967.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
68.27741	0.5
71.01391	1.4
72.99304	11.0
78.35841	0.5
83.05026	0.8
85.02937	1.0
85.19205	0.6
87.00873	28.1
89.02437	1.4
95.01316	0.6
96.96058	0.6
98.83896	0.7
101.02458	1.2
102.99806	0.7
103.00351	5.0
105.01925	1.0
113.02457	0.7
125.02409	1.0
130.99849	1.1
133.02968	2.2
137.02473	1.2
149.00926	65.5
157.24432	0.6
158.12399	0.6
159.04541	3.6
160.05365	4.2
162.98456	0.6
167.03516	0.5
171.10255	0.9
172.05330	10.2
173.06084	5.2
174.06900	0.6
177.01888	0.7
185.06024	1.4
186.06837	1.2
187.04005	4.6
187.07622	0.8
188.04768	0.8
192.11308	0.6
199.03925	0.7
199.07808	0.7
200.04800	2.5
201.05577	4.0
202.06357	7.1
204.04282	3.2
209.11855	12.7
227.03439	4.4
239.14662	0.7
255.13965	1.1
257.15475	0.8
281.15302	0.8
283.13422	100.0
284.13666	1.0
299.16479	2.6
301.14529	18.6
309.14914	10.5
311.12982	8.3
325.14798	0.7
327.12897	1.0
327.16052	27.0
329.14056	1.0
345.17160	6.0
353.13901	2.7
493.32864	0.8
543.46307	0.7
581.26355	6.1
628.34668	0.6
634.42358	0.6
676.58600	0.7
747.36414	2.4
773.37866	3.2
791.38708	25.7
817.36938	1.4
835.37708	50.7
836.39148	1.0
877.38550	0.9
967.38617	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	961.575
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03473	2.2
71.01379	39.1
72.99332	2.2
73.02954	3.6
78.21138	2.5
85.02985	9.0
87.00911	2.5
89.02441	36.5
97.02970	3.5
101.02438	29.0
113.02436	17.5
119.03485	8.4
125.02406	8.1
137.51277	2.2
143.03590	2.7
153.09222	16.6
161.04515	3.4
163.11337	3.7
169.27257	2.5
171.10275	20.2
179.05679	3.7
185.11804	3.4
197.11775	4.6
209.11868	50.2
209.13759	3.9
221.06764	3.2
235.08258	12.5
255.20657	3.4
255.23320	100.0
257.37994	2.4
289.18286	17.3
304.53055	2.4
307.19205	66.7
325.20090	26.7
336.26477	2.3
347.69995	2.3
397.13571	52.7
397.18384	3.9
415.14651	10.6
639.04089	2.4
653.37732	3.1
687.32684	11.0
705.33252	12.5
772.10040	2.6
874.49738	11.2
936.01892	2.8
943.56323	39.5
961.58215	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	963.6877
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03468	7.8
83.05031	22.5
108.04543	0.6
109.09093	0.5
124.66547	0.4
125.02415	3.4
125.07282	1.7
125.50413	0.5
139.03993	0.6
143.08325	0.5
149.31973	0.5
168.09853	0.5
169.01338	0.8
177.02046	0.7
186.19945	0.5
207.15057	2.6
224.17700	5.0
225.16115	18.0
242.18723	0.5
260.20190	0.6
309.21945	2.0
333.23041	0.6
341.29105	0.6
343.12704	0.5
367.27252	1.0
433.31888	2.0
450.34726	1.1
451.33020	12.7
503.96701	0.6
550.43707	0.7
567.46423	1.0
607.67700	0.6
677.50104	2.6
776.60809	1.2
885.67114	0.7
903.66760	100.0
904.66980	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	961.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01398	5.8
72.01138	5.4
83.01401	27.5
89.02486	6.7
92.10238	6.6
96.35390	6.1
97.02931	6.1
101.02473	7.1
107.05113	6.9
109.02979	9.9
109.06584	9.9
111.00935	9.0
121.02938	12.7
125.02432	100.0
135.04546	6.7
137.02452	98.4
139.04018	8.8
146.03711	40.2
147.04530	7.2
149.02521	6.3
150.03201	5.9
159.04541	12.0
161.02364	8.4
163.00346	6.4
164.01161	13.6
165.01936	77.8
167.03540	23.1
170.77107	5.6
172.05354	12.4
173.06090	9.7
174.03223	11.2
177.01938	11.8
179.03476	7.4
187.04027	11.6
188.04880	11.3
200.04962	10.4
204.04343	6.6
207.10275	24.7
209.11798	20.8
211.13600	8.9
212.04820	7.7
225.11238	7.5
253.95619	5.5
271.13443	56.0
283.13702	9.1
289.14374	9.6
299.12936	7.3
313.14496	24.1
325.14581	22.0
419.18851	22.2
437.19785	8.8
579.24591	6.1
599.88049	7.8
724.67334	6.6
787.35132	8.8
805.36151	8.6
907.37256	9.7
925.39209	11.8
943.40430	12.8
990.97076	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	951.4817
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03461	2.3
71.01380	49.5
72.99305	1.5
73.02953	4.0
80.02679	2.4
81.03465	2.2
83.01392	3.9
83.05032	7.2
84.02169	1.9
85.02940	10.6
87.00867	4.2
89.02441	21.2
95.01388	1.6
95.05048	1.9
97.02959	6.1
97.06576	2.2
99.00901	1.2
101.02435	12.4
109.06605	6.6
110.03764	1.2
113.02441	7.2
115.00331	1.5
119.03492	4.6
124.44283	1.0
125.02428	6.4
125.09720	1.8
127.11271	1.0
133.01402	2.4
135.08124	1.6
137.09703	1.4
143.03662	1.0
155.10710	0.9
161.04572	1.6
163.11304	13.6
165.12852	5.4
171.10274	19.8
179.05591	5.1
181.12292	2.1
183.13972	1.9
185.11847	1.4
191.10779	1.3
193.12308	1.2
197.11789	2.4
199.13380	1.1
201.11394	6.8
207.10286	20.7
209.11858	100.0
211.13435	16.6
221.06683	1.4
225.11328	22.2
227.12894	7.8
229.14426	11.0
235.08220	4.7
239.12968	1.1
291.19809	2.2
299.62231	1.0
307.19272	4.0
309.20813	5.3
309.74557	1.3
325.20337	1.3
327.21826	68.7
397.13531	29.3
415.14532	16.4
623.25580	3.9
725.35669	1.3
771.61786	1.0
788.66193	1.1
837.14142	1.2
933.46509	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	951.5684
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	13.4
71.53017	1.4
79.86909	1.9
83.01402	1.8
84.54181	1.5
85.03015	1.9
89.02432	11.5
101.02447	9.8
113.02515	2.0
119.03460	2.0
125.02444	2.6
138.32814	1.6
159.28590	1.7
161.04536	2.1
195.13974	7.5
209.11758	1.8
223.13397	3.8
235.08217	3.7
267.75513	1.8
275.20178	3.4
277.21793	37.0
283.26376	2.0
293.21298	100.0
315.96988	1.8
369.48358	2.0
379.12469	1.9
386.84991	1.8
393.61475	2.1
397.13623	32.0
415.14679	12.3
673.33728	2.6
875.44080	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	957.508
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03455	2.4
71.01387	19.7
71.05023	1.1
72.99316	1.5
73.02960	1.7
75.48554	0.8
76.55135	1.1
83.01382	1.0
85.02956	4.6
87.00882	3.7
89.02447	24.3
95.01392	1.5
97.02966	2.0
101.02442	16.7
102.67243	1.0
111.08158	1.4
113.02429	9.2
116.92852	1.9
119.03513	6.5
125.02442	7.0
130.35164	1.1
141.09196	1.4
143.03506	1.5
161.04535	1.1
167.10773	4.1
171.10216	1.1
177.12814	1.4
179.05679	2.2
179.14420	6.1
195.12260	1.4
195.13921	26.4
205.12437	8.2
221.06732	2.0
223.13441	68.9
235.08272	4.4
240.76163	1.1
259.94882	1.2
275.20209	4.7
277.21872	1.8
293.21298	100.0
294.21475	1.3
379.12576	2.2
397.13589	31.9
415.14798	13.3
603.26538	6.4
621.27771	12.7
673.34088	4.1
691.35663	5.8
897.49365	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	949.5396
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	11.6
73.02964	1.5
75.98339	1.1
82.04554	1.0
83.01407	1.9
83.05059	5.5
85.02973	4.4
85.11651	0.9
87.00883	4.1
89.02454	15.7
97.02976	1.6
98.23674	1.0
99.00919	1.4
100.87399	0.9
101.02434	13.0
108.23373	0.9
112.06305	1.1
113.02491	5.9
119.03521	5.5
125.02470	5.5
142.93617	1.0
143.03496	1.2
149.43019	1.1
161.04578	3.7
163.11333	4.6
165.12915	1.5
177.29428	1.1
179.05646	2.3
209.11870	100.0
227.12944	10.0
235.08261	5.8
281.24908	75.1
287.07874	2.2
305.08994	1.1
379.12549	11.2
397.13629	39.3
415.14603	5.8
531.43622	1.2
589.25403	2.3
679.39398	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	949.4647
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03462	2.0
71.01384	28.2
71.01721	1.5
73.02964	4.4
78.95914	1.2
80.02707	1.9
81.03489	1.6
83.01382	1.9
83.05029	9.0
84.02134	1.0
85.02960	8.3
87.00912	4.1
87.31012	1.0
89.02453	23.1
89.02927	1.2
92.10722	3.6
93.03516	1.0
95.01410	1.8
95.05053	2.1
96.96029	2.3
97.02974	4.8
97.06604	7.2
99.00898	6.3
101.02438	12.0
109.06626	2.6
113.02444	9.2
119.03493	6.3
125.02464	8.9
125.06090	11.3
125.09723	5.8
127.11305	4.5
135.04521	1.4
135.08163	2.0
139.07700	1.5
143.03473	1.3
144.10693	1.1
144.27612	1.2
153.09258	4.5
155.10786	1.4
161.04594	4.3
163.11235	10.2
165.12860	4.9
169.08708	9.9
171.10287	21.9
179.05641	5.8
181.12331	4.3
191.10796	1.4
193.12363	4.9
197.11877	4.3
199.09688	1.1
199.13463	1.3
201.11366	32.0
207.10355	8.4
209.11868	100.0
210.60254	1.2
211.13420	1.9
221.06651	1.4
225.11320	11.0
225.15010	6.6
227.12962	9.7
230.02151	1.2
235.08238	4.6
243.16013	1.8
257.38409	1.3
288.63675	1.1
289.17993	1.4
305.17633	9.0
307.19171	8.4
323.18677	1.5
325.20370	2.8
341.23380	42.3
397.13516	31.3
415.14499	13.9
607.27148	1.4
931.45245	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	948.4806
Annotation	Unknow
Peak:m/z	Relative Intensity
65.83588	5.6
70.12630	5.4
71.01396	35.5
83.05009	6.5
87.00870	8.1
89.02437	12.7
94.49445	5.5
96.00632	6.0
99.34119	6.3
101.02444	13.9
113.02451	11.4
124.40990	5.8
128.35170	6.0
161.40659	7.0
209.11865	100.0
210.12190	40.5
211.12503	9.6
227.12839	6.6
277.21719	42.8
278.22086	34.2
279.22473	7.8
306.27979	6.1
397.13504	28.0
398.14175	7.6
399.13998	10.7
923.22278	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	946.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
66.32551	5.7
67.56564	5.2
71.01398	27.1
89.02453	39.4
90.51106	6.1
90.99481	6.1
93.23970	5.9
97.02980	6.7
101.02460	16.5
109.06602	42.9
110.06932	10.8
119.03516	9.6
163.11292	29.8
164.11699	8.2
207.10345	100.0
208.10675	64.2
212.28995	7.1
225.11377	54.1
226.11702	27.5
230.06230	7.4
230.92409	6.7
247.22006	7.3
277.21771	39.1
278.22086	27.0
279.22397	9.5
397.13510	15.9
398.14243	11.9
399.14120	11.1
417.15280	10.0
607.25128	10.7
728.43610	7.2
885.47522	41.4
886.47595	76.6
963.97351	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	948.4802
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01415	16.5
71.13338	2.7
83.01395	4.2
83.05042	12.6
85.03014	5.0
87.00873	2.9
89.02466	19.4
101.02442	11.2
113.02490	5.1
153.72490	2.9
171.40579	3.4
192.83444	3.1
209.11879	100.0
210.12216	56.7
210.73543	3.3
211.12502	19.2
227.12909	4.5
227.49185	3.4
277.21780	27.8
278.22205	31.7
279.22440	14.1
280.85757	3.4
349.54541	3.6
380.12982	3.8
397.13611	20.4
398.13608	12.1
399.14142	17.4
400.38089	3.3
416.14850	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	945.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01408	18.1
83.01418	10.3
85.28165	4.9
87.00915	16.5
89.02451	5.0
95.05092	5.4
97.02971	4.7
109.02981	5.7
109.15800	3.5
121.02962	7.0
122.03761	5.4
123.04529	8.2
125.02452	100.0
135.04453	8.5
137.02461	69.7
137.60699	5.0
146.03728	32.1
159.04474	9.9
163.11276	5.5
164.01143	18.3
165.01958	56.3
167.03526	24.3
172.05298	5.5
173.06046	5.2
174.03217	13.7
175.03915	4.7
177.01944	9.7
179.03511	9.7
185.06079	4.8
188.04852	5.2
190.06409	5.5
200.04741	9.6
201.05673	4.5
204.04350	5.0
209.11909	46.6
211.13441	6.5
212.04839	5.1
225.05492	5.0
269.11890	7.9
271.13455	36.9
285.04095	38.5
285.15015	6.3
286.04361	8.2
289.14514	20.0
295.13565	5.0
297.14981	5.1
299.12900	17.0
313.14536	20.3
315.16013	8.7
317.14124	5.7
325.14432	21.9
335.16687	8.1
337.14560	9.4
343.15558	10.3
353.96475	5.3
355.15985	4.3
377.17526	4.9
391.19736	4.7
393.17749	4.8
395.18588	6.7
419.18823	20.7
422.18222	4.7
437.19824	15.5
777.36926	9.5
789.36896	7.0
807.38385	7.1
883.41315	8.4
909.37567	7.5
927.40228	65.2
945.41956	69.1
956.93762	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	945.4132
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03457	4.3
71.01376	6.7
78.54947	3.8
83.01381	15.8
85.27235	3.3
87.00909	4.2
88.83128	3.4
89.02406	4.2
93.03416	5.7
101.02431	5.7
109.02932	4.1
119.05037	4.3
121.02914	5.6
122.03705	4.4
125.02446	88.8
135.04512	6.6
137.02452	81.8
145.02974	3.8
146.03758	41.5
149.02449	5.6
151.04089	4.8
159.04506	6.5
160.05261	4.1
161.04475	3.8
163.11298	3.9
164.01125	25.6
165.01959	63.5
167.03482	21.0
171.10272	4.2
172.05302	5.2
174.03217	21.4
175.03938	6.3
177.01913	17.5
179.03494	6.9
186.06866	5.5
187.04013	7.3
188.04825	7.6
200.04845	6.2
201.45975	3.5
204.04207	3.9
209.11862	57.0
212.04788	6.6
225.05591	4.4
232.01355	3.5
251.07109	5.0
252.07838	3.9
255.14111	5.6
271.13403	55.9
289.14346	8.2
294.09106	5.1
296.31595	3.5
297.14862	4.3
299.12936	7.0
299.99643	3.4
313.14432	29.7
315.15799	7.0
316.29163	3.7
317.13824	6.2
325.14511	24.0
337.14484	6.8
343.15515	13.7
351.20193	4.0
377.17563	6.5
395.18576	5.2
419.18616	22.1
437.19675	6.5
463.17627	6.1
567.15930	3.8
747.42279	4.3
777.36743	16.4
807.37274	6.6
843.35651	4.0
883.40424	6.6
909.38422	7.8
927.40076	100.0
928.40686	4.7
945.41516	65.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.493
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03476	0.9
69.68732	0.7
71.01398	18.9
72.99336	0.9
73.02969	1.7
81.03495	3.4
83.01417	1.8
83.05070	1.8
85.02983	4.4
87.00903	5.0
89.02457	17.5
92.65356	0.8
94.85691	0.7
95.01434	1.0
96.43690	0.7
97.02972	11.2
99.00903	3.3
101.02460	17.2
107.05050	0.9
109.06609	28.6
110.03784	1.5
113.02469	9.8
116.92882	2.8
119.03501	4.4
121.06630	1.8
125.02423	5.3
135.08167	5.1
136.05321	1.6
142.02768	3.8
143.03558	2.9
145.10242	0.9
161.04573	3.8
161.09694	1.2
163.11301	21.2
174.38205	0.9
179.05629	3.3
179.10838	0.7
181.12389	6.7
189.09183	1.4
192.96077	0.8
201.11386	1.6
207.10310	100.0
209.11868	5.3
221.06709	4.1
225.11377	52.8
235.08298	3.6
243.12369	1.4
255.23433	1.3
277.21777	44.8
281.14108	1.0
286.18317	0.7
299.15082	1.8
306.28271	0.9
366.02219	0.8
379.12424	4.8
397.13571	29.4
415.14578	7.9
461.20261	1.3
550.90363	0.8
587.23767	1.6
605.24597	4.6
623.25909	5.7
770.76678	0.9
865.45032	1.0
866.77594	0.9
883.47156	54.5
886.54425	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
66.39362	1.0
66.45982	1.0
68.70961	1.0
69.03463	1.1
71.01385	22.8
73.02951	2.1
77.86037	1.0
81.03449	2.5
83.01424	4.4
83.05031	1.1
85.02937	7.8
87.00864	5.0
89.02443	19.2
95.01440	1.7
97.02959	13.5
97.06604	1.0
99.00858	1.6
101.02451	18.3
109.06601	28.6
113.02487	9.4
116.92870	4.6
119.03473	2.5
125.02400	7.7
135.08142	4.9
136.05325	1.3
142.02736	5.3
143.03537	2.2
161.04497	1.7
161.09720	1.5
163.11292	22.1
176.94844	0.9
179.05594	2.2
181.12349	6.9
201.11264	1.8
207.10291	100.0
209.11844	4.5
225.11345	38.0
235.08246	5.6
240.78381	1.1
255.23241	1.7
277.21747	65.0
299.14752	2.0
379.12488	5.4
387.83597	1.2
397.13519	41.2
415.14774	10.4
433.70767	1.4
591.45233	1.2
605.24768	4.9
623.25378	5.4
640.75781	1.2
672.29944	1.2
865.45074	2.1
883.47070	69.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	943.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01404	4.9
83.05053	3.2
87.00890	22.6
101.02429	3.6
102.91581	2.9
122.03724	6.2
125.02468	11.6
136.05312	18.4
137.02448	12.6
146.03812	3.7
147.04561	3.7
149.02473	3.2
150.03285	6.7
162.06915	11.7
164.04816	4.5
165.01973	5.1
209.11885	44.1
211.13339	5.0
213.49559	2.7
257.15518	6.0
259.17157	5.7
287.16565	84.7
305.17575	19.4
313.18170	13.7
315.16135	24.9
329.17596	12.0
331.19348	4.0
333.17087	17.8
343.15503	3.6
357.17316	10.2
478.41492	3.9
911.39722	11.8
925.38837	4.8
943.41663	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	941.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
68.71502	1.4
69.03460	3.4
71.01388	20.5
73.02959	2.2
85.02969	2.6
87.00884	2.2
88.81521	1.5
88.93714	1.4
89.02455	23.7
89.76064	1.6
92.10822	3.9
97.02972	3.0
101.02440	18.8
113.02493	11.2
116.92908	2.6
119.03497	3.6
124.47929	1.8
125.02449	8.0
143.03528	1.8
161.04608	6.1
167.10764	2.1
179.05641	3.3
179.10780	3.1
179.14386	2.8
195.13947	17.0
205.12329	14.1
215.51828	1.7
217.07413	1.8
223.13454	100.0
235.08290	3.4
277.21805	60.0
287.07690	1.6
330.24866	1.6
379.12439	7.4
397.13571	35.9
408.23212	1.7
415.14664	9.5
419.75198	1.7
603.26862	11.6
621.27588	14.0
848.28802	2.1
881.49371	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	941.5122
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	23.6
78.58400	2.9
89.02451	23.6
89.57584	3.5
101.02454	18.3
113.02453	5.8
116.92897	3.5
119.03528	5.9
125.02452	4.7
127.91702	3.1
132.08113	3.9
161.04500	3.7
161.23700	3.5
167.10893	3.4
195.13937	13.8
196.05550	4.0
223.09700	3.4
223.13449	81.9
235.08325	4.1
277.21783	100.0
284.29019	4.3
343.57339	3.5
379.12405	4.4
397.13443	64.5
415.14691	6.8
461.89075	3.5
495.96896	3.6
603.26782	7.1
621.28168	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	943.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.53937	0.5
68.31647	0.5
69.03465	1.2
71.01373	12.0
72.99325	1.1
73.02977	0.7
81.03454	0.6
83.05038	1.5
85.02969	1.0
87.00877	32.1
88.98805	2.3
89.02460	4.3
93.03471	1.2
93.90167	0.5
95.01386	0.9
101.02450	3.5
103.22509	0.6
107.01396	0.7
109.02977	1.2
109.06612	1.0
113.02451	3.4
121.02983	1.0
122.03775	2.6
123.04552	1.3
124.01679	0.9
125.02475	3.3
130.99854	10.2
135.04578	0.8
135.08191	0.7
137.02480	2.8
146.03741	9.0
147.04535	9.3
148.05374	0.9
149.02405	1.0
149.06070	1.2
151.00407	1.4
158.03877	0.7
159.04517	4.0
160.05249	1.3
161.02499	1.2
161.06110	2.4
162.06850	2.7
163.04021	1.4
163.11290	3.3
165.12891	0.8
171.10324	1.3
172.05370	4.1
173.06079	4.0
174.03206	5.3
174.06889	0.9
175.04002	9.0
176.04768	1.0
185.06055	3.0
186.06894	2.5
187.04008	1.4
187.07651	1.2
188.04828	4.9
189.05554	6.0
190.06383	25.4
199.04056	0.9
199.07733	0.9
200.04837	13.2
200.08408	0.7
201.05675	2.6
207.10269	3.2
209.11868	37.3
211.07713	0.9
211.13435	9.2
213.05626	0.9
214.06372	0.9
216.07950	2.5
225.11342	2.3
227.12933	2.4
231.13802	2.2
245.11829	2.5
253.09262	1.0
255.13957	0.8
259.13498	1.4
269.11826	0.9
271.13412	16.7
283.13437	4.1
285.04089	52.1
285.14990	3.4
287.12842	0.9
287.16513	3.8
289.14612	8.4
297.14978	16.0
299.12964	6.5
300.13800	1.2
301.14465	2.4
311.13013	1.3
313.14536	4.0
315.16074	76.2
317.14008	3.3
323.16580	5.6
325.14526	22.0
331.15530	3.1
333.17145	23.4
339.16064	3.1
341.13895	2.2
341.17734	7.8
343.15625	11.9
357.17252	7.0
359.14691	0.7
359.18765	0.8
361.16580	1.3
367.15454	2.8
369.13495	2.4
375.18127	1.4
385.16724	1.4
397.13556	1.1
436.88065	0.7
495.37772	1.0
821.39319	1.2
833.37726	2.6
851.38367	0.9
883.39862	1.0
911.39081	15.1
925.41400	1.4
943.41992	100.0
944.42444	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	935.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
64.98901	1.2
67.28188	1.3
69.03457	2.7
71.01381	18.3
73.02946	1.4
80.02635	1.5
83.01376	1.8
83.05045	7.3
85.02963	14.1
87.00878	3.5
89.02444	17.3
91.88018	1.4
96.95998	2.5
97.02941	5.6
101.02430	10.1
102.70037	1.3
113.02451	9.1
119.03516	2.9
125.02449	5.9
125.09728	1.5
137.09727	3.1
161.04585	1.9
163.11261	5.3
165.12856	2.6
171.10278	36.6
179.05612	1.7
183.13914	2.6
207.10263	2.1
209.11862	73.6
211.13481	13.7
221.11763	1.7
227.12955	2.9
229.14479	11.6
237.56097	1.6
239.12888	2.1
268.14203	1.5
291.19641	3.0
309.20740	8.7
327.21811	100.0
397.13605	30.6
415.14590	15.8
425.08722	1.4
519.33508	2.5
528.30591	1.8
707.35352	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	933.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	11.5
73.02975	1.8
83.05035	7.2
85.02995	1.6
87.00898	2.1
89.02456	10.0
95.05076	1.5
101.02449	11.9
113.02440	2.5
125.02435	6.1
145.75822	1.7
153.09238	5.6
155.10930	1.5
163.11278	6.1
165.12852	3.2
171.10213	12.8
179.05510	2.2
180.62086	1.6
191.10826	2.3
197.11734	5.0
207.80545	1.5
209.11874	100.0
227.12886	8.7
245.19186	1.8
257.68851	1.5
289.18213	11.4
307.19211	39.5
315.41620	1.5
325.20212	18.2
349.97321	1.9
397.13452	19.5
415.14737	6.2
584.55975	1.8
687.31903	2.8
705.33789	10.2
767.69806	1.8
852.94434	1.9
897.44623	2.5
915.46643	2.1
933.46234	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	935.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	9.8
67.47580	0.2
83.01390	6.3
95.01417	0.4
107.01401	21.4
108.99298	0.3
109.02981	1.2
111.06894	0.2
121.02988	0.6
122.03768	0.3
123.00835	0.3
123.04523	6.1
124.01659	1.7
125.02448	24.8
133.02962	2.2
135.04532	2.0
137.02431	0.5
137.64836	0.3
139.00412	0.6
149.02489	2.2
150.01997	0.3
150.03246	14.6
151.00388	100.0
151.04005	22.1
152.01173	16.2
153.01913	2.5
159.22691	0.3
169.01421	2.8
171.04506	0.3
173.02505	0.3
174.03256	0.4
175.04024	4.5
176.01199	1.1
177.01958	5.5
178.99875	22.7
180.00659	0.4
181.01497	0.3
185.05994	0.4
187.04044	0.3
189.05551	0.5
193.05090	0.4
199.04042	3.4
201.01976	0.6
211.04170	0.3
213.05615	1.5
215.03444	0.5
217.05042	2.9
240.71219	0.3
241.05109	3.5
243.03006	1.0
257.04596	2.4
259.06119	1.5
267.03064	0.4
275.05658	1.4
285.04086	56.5
286.04575	0.5
297.09863	3.6
302.04404	1.2
303.05151	16.5
323.07819	1.5
410.78113	0.3
449.10983	88.1
450.11356	1.7
485.08835	1.3
546.92645	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	931.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
145.79807	22.3
179.72971	20.4
191.33165	19.0
209.11864	100.0
255.23367	43.0
338.44550	18.0
397.13458	37.3
454.32532	23.0
496.76370	23.3
858.61945	20.8
931.50452	75.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	932.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01407	23.2
89.02438	25.3
96.66789	13.2
101.02442	19.3
107.54552	14.0
158.67328	15.9
169.82701	13.6
197.11848	100.0
198.12262	26.7
240.18839	16.1
259.82074	14.2
260.74057	14.8
293.21216	91.7
294.21613	79.3
397.13452	32.9
398.14029	18.1
405.13205	15.1
513.35913	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	933.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
71.36713	0.5
85.02934	0.8
107.01398	1.2
108.02203	1.1
108.38071	0.6
109.03041	0.7
114.94718	0.5
116.10580	0.5
121.02948	2.6
125.02459	4.8
134.03717	8.9
149.06050	0.8
151.00366	9.6
161.02411	0.8
163.00359	0.8
169.01431	2.7
178.99849	6.8
193.05034	5.9
211.04094	0.9
226.02669	0.7
243.02960	7.4
245.04535	0.8
254.02191	2.2
255.03032	19.5
271.02521	46.2
272.03217	1.4
281.51077	0.8
283.02585	0.8
299.01996	1.0
300.02798	100.0
301.03549	25.2
303.74667	0.5
314.82272	0.6
423.89999	0.7
609.14771	68.8
610.14990	2.4
713.45813	0.6
840.36340	0.7
881.06598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	933.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00334	1.3
65.06606	0.4
66.04907	0.4
66.45606	0.6
71.01406	1.0
72.26035	0.4
81.03469	2.1
83.01385	5.8
85.02986	0.7
86.76314	0.5
88.82662	0.5
89.02430	0.7
93.03468	1.0
95.01411	0.6
101.02446	0.7
103.80740	0.5
107.01365	5.1
107.05047	0.9
109.02977	1.0
117.03503	0.8
121.02948	1.0
123.00890	0.9
123.04498	1.0
124.01614	0.5
125.02443	91.3
133.02969	1.1
134.03734	0.6
135.04520	0.8
136.91724	0.5
137.02440	1.1
139.04002	2.5
149.02437	8.4
151.00386	21.2
151.03955	0.8
152.01163	4.6
153.01956	8.7
155.05064	0.6
159.04523	0.8
163.00331	1.1
165.01959	0.8
167.03549	1.2
169.01422	1.0
172.05295	2.6
172.06749	0.6
173.06079	4.9
175.04021	0.9
176.01146	1.1
177.02028	0.8
177.05585	3.1
178.99879	16.2
179.03418	4.8
181.06580	0.6
187.07671	0.7
196.05275	0.8
197.06151	1.2
199.07845	0.8
201.05563	4.0
215.07214	5.9
221.04662	1.0
225.05516	3.8
241.05011	3.0
243.06662	5.3
259.06137	80.4
260.06381	1.0
269.04596	70.5
270.04950	1.1
283.05954	0.5
287.05664	33.4
311.05630	0.8
431.10568	1.5
449.10965	100.0
450.11484	1.2
558.67261	0.6
576.86359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	927.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01395	5.5
76.58427	2.1
83.75307	2.2
87.00875	100.0
88.98800	2.7
89.02448	3.1
105.34995	2.7
109.06617	4.0
121.02930	2.8
122.03814	2.6
130.99898	21.6
135.04474	3.1
139.04094	2.2
146.03723	11.1
147.04521	11.9
159.04478	12.5
159.05644	2.6
161.06094	3.6
161.48051	2.2
163.11305	2.7
172.05310	3.2
173.06107	5.0
174.03214	4.6
175.04012	9.3
175.07683	3.2
183.14005	2.5
187.04007	3.6
188.04834	4.0
190.06384	28.5
200.04810	11.9
201.05626	3.2
203.07199	2.6
207.10249	14.0
209.11775	13.6
211.13402	9.7
216.07928	2.6
225.11345	10.3
229.12383	2.5
254.04195	2.4
271.13495	34.7
285.15189	4.3
287.16577	3.4
289.14520	11.4
297.15115	19.5
297.18091	3.0
299.12872	5.6
301.14499	3.7
306.30789	2.4
313.14569	5.3
315.16074	58.2
323.16626	4.8
325.14581	18.5
331.15640	2.7
333.17102	11.0
341.17548	3.3
343.15332	9.6
357.17316	3.9
369.57202	2.3
375.18073	3.4
417.75983	2.5
724.20129	2.7
787.35419	2.9
811.35748	3.0
831.34436	8.2
909.37842	51.5
927.38965	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	929.5126
Annotation	Unknow
Peak:m/z	Relative Intensity
66.13387	1.6
71.01376	19.2
82.58894	1.5
85.02966	3.9
87.00898	2.7
89.02422	19.0
98.17225	1.7
101.02451	17.2
101.02987	1.9
113.02446	7.6
116.92880	1.8
119.03512	2.8
125.02445	8.7
132.92413	1.6
141.01714	1.8
154.48714	1.6
161.04527	3.5
164.52850	1.8
179.05620	2.1
183.13907	8.7
183.66580	2.0
194.89467	1.6
211.11400	3.8
211.13420	100.0
235.08160	2.9
277.21744	73.3
379.12482	10.6
397.13538	44.5
415.14697	7.2
472.26547	1.9
512.04865	1.8
512.40833	1.9
591.26740	3.6
609.27594	4.2
840.64838	1.9
867.14801	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	931.1722
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00348	1.4
68.95133	1.0
107.01395	2.3
109.02985	1.5
121.02971	2.3
125.02460	5.6
151.00377	18.8
152.01053	1.2
163.00299	1.4
168.01845	1.2
169.01469	1.8
178.99890	8.1
211.04060	1.3
227.03658	1.5
243.03058	5.7
245.04623	1.5
252.30696	1.3
254.02173	1.3
255.03021	22.1
261.53329	1.3
271.02512	37.9
272.02972	1.8
273.04208	1.2
275.55261	1.2
283.02493	1.4
285.04190	1.9
300.02792	94.3
301.03546	67.6
302.03629	1.5
303.05182	1.4
316.02603	1.2
447.09418	100.0
449.10724	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	924.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01402	25.3
78.09290	22.9
89.02448	44.5
92.10688	33.9
97.02959	28.8
98.34210	26.2
101.02396	30.9
109.06582	38.8
145.35870	29.1
207.10289	60.1
208.10728	42.4
226.11710	30.5
255.23262	100.0
256.16620	27.4
256.23560	53.0
399.14175	28.2
643.03656	35.5
864.48767	62.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.2057
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35217	0.3
65.00340	1.2
65.45786	0.3
83.01393	0.7
83.91786	0.3
93.03501	0.3
107.01389	4.1
107.04211	0.3
108.02190	1.3
109.02959	3.2
114.23643	0.3
121.02948	3.4
124.01688	0.3
125.02462	1.3
134.80847	0.3
135.00906	1.1
137.02448	0.4
148.01674	2.0
149.02504	0.6
151.00375	19.6
153.01990	0.4
159.04558	0.6
163.00386	4.9
164.01193	0.5
169.01436	1.5
173.06094	0.3
178.99861	10.4
183.04500	0.5
185.06078	0.3
187.03966	1.3
195.74039	0.3
199.03975	1.3
201.01871	0.4
201.05615	1.2
203.03522	1.4
211.04050	1.4
214.02721	0.4
215.03494	1.8
216.04208	0.5
226.02780	1.3
227.03522	3.8
229.05133	1.6
231.02991	1.4
239.03616	0.5
242.02190	0.5
243.02988	12.6
244.03737	0.5
245.04587	3.0
254.02261	1.9
255.03017	25.2
257.01172	0.5
257.04559	0.7
258.01846	0.4
259.02463	2.8
266.02155	0.3
270.01761	1.4
271.02512	57.2
272.03128	2.3
273.04233	2.1
283.02524	2.8
285.04077	1.7
287.01965	5.8
298.01273	0.4
299.02121	1.4
300.02786	99.7
301.03561	63.6
302.03976	0.6
314.04434	3.5
315.01538	9.5
315.04861	0.6
316.02176	2.8
330.03836	13.4
331.04599	10.9
447.09399	100.0
448.09732	1.7
477.10468	20.6
663.17438	0.4
704.03394	0.4
855.93915	0.4
860.69684	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	925.3936
Annotation	Unknow
Peak:m/z	Relative Intensity
70.32658	0.7
83.87629	0.9
88.98807	100.0
90.30941	0.8
94.36070	0.8
125.02431	1.0
209.11891	8.6
230.85226	1.0
243.43022	0.9
438.55161	1.0
620.03137	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	926.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34982	2.7
71.01382	23.1
72.01757	3.2
73.02946	2.7
75.09464	3.2
83.05020	5.4
87.00861	3.3
89.02447	25.3
92.10103	10.5
93.98450	3.1
101.02457	18.7
113.02428	4.8
125.02451	12.8
139.14296	2.9
141.18864	2.9
142.41711	3.0
153.53267	3.4
163.11366	4.4
164.11647	4.4
187.90996	3.0
203.29388	2.9
209.11871	100.0
210.12186	55.3
211.12384	23.8
212.12616	3.1
227.12941	4.2
228.13293	5.9
255.23334	51.7
256.23672	44.2
257.23987	14.6
293.71149	4.2
379.12329	5.2
389.26602	3.1
397.13577	21.8
398.13852	19.1
399.14157	18.5
400.14240	4.1
469.59277	3.5
487.01553	3.4
517.21484	3.6
655.38275	4.0
781.75696	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	919.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04478	4.5
71.01392	11.1
82.84838	4.3
87.00907	5.8
89.02467	26.9
97.02924	7.2
101.02442	8.2
108.30083	5.0
109.06627	20.5
115.15195	4.9
125.02448	5.8
163.11334	20.2
207.10313	88.0
209.11867	5.3
225.11389	45.2
277.21741	62.3
379.12692	6.7
397.13596	70.8
415.14963	10.0
605.24371	6.7
883.47186	100.0
915.31049	7.3
919.44104	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
67.16467	1.5
67.70709	1.5
68.99584	2.0
69.03444	2.5
71.01387	22.1
71.26702	1.4
72.99351	1.7
73.02958	3.1
73.04440	1.5
83.01415	2.2
85.02972	7.3
87.00897	7.1
89.02439	27.4
92.10119	7.8
97.02969	2.8
101.02434	21.5
112.98615	2.0
113.02423	11.9
115.03955	1.7
116.92864	21.5
119.03527	7.1
125.02440	4.1
157.37399	2.0
161.04578	3.6
167.10788	3.3
179.10716	2.2
179.14441	3.4
195.13896	11.1
195.86761	2.0
205.12378	11.1
219.84348	1.7
223.13443	87.7
235.08270	6.9
255.23334	100.0
266.91132	1.7
270.18436	2.0
283.37637	1.8
323.09839	1.8
324.54239	2.0
379.12436	12.4
397.13541	40.6
415.14590	10.4
430.62329	1.9
603.26672	9.2
621.27899	7.3
653.37408	7.4
859.50671	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	921.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	17.0
73.02953	2.3
73.08942	1.2
83.01360	1.6
85.02973	3.1
87.00893	5.8
89.02464	8.0
93.16045	1.5
97.02962	9.5
97.06652	2.0
99.00900	23.0
101.02450	13.9
105.39243	1.4
109.06602	1.7
113.02467	5.4
116.17506	1.4
116.92857	6.9
119.03489	2.1
125.02445	6.8
125.09744	10.3
142.02721	2.2
145.05144	1.4
163.11302	9.8
181.12340	16.6
205.47398	1.8
207.10289	54.5
209.11830	1.8
209.51094	1.4
225.11371	69.5
235.08270	2.3
243.12331	22.4
255.23315	73.5
272.89514	1.9
279.83096	1.7
281.24854	1.9
306.06949	1.6
397.13669	7.2
605.24377	12.1
623.25317	7.2
802.71680	1.8
841.71924	1.7
861.48621	100.0
862.48425	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	917.476
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03493	3.0
71.01376	100.0
78.95901	27.8
79.57912	3.4
80.07645	2.8
80.70135	2.8
80.77701	2.8
83.01404	4.3
83.05070	4.6
85.02965	7.3
89.02442	29.5
90.42425	3.0
97.02972	11.9
99.00907	3.8
101.02441	18.9
109.06597	5.1
111.08176	3.8
113.02460	7.4
119.03500	6.2
135.08177	3.6
163.11336	14.4
171.10242	24.1
181.12325	5.1
195.13867	15.9
197.11853	4.8
201.11371	11.6
207.10265	49.6
209.11823	32.5
223.13347	5.2
225.11363	34.7
275.20322	4.9
282.60849	3.0
291.19678	19.1
291.80975	3.3
293.21265	97.6
308.27499	3.4
309.20673	3.7
316.50882	3.3
367.91028	4.1
397.13513	26.8
415.14563	6.9
500.74377	3.3
623.24963	4.1
899.45459	23.4
917.47064	14.2
953.18890	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	917.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	33.2
73.02969	2.8
78.95918	13.1
81.03473	2.5
82.06190	1.6
83.01415	2.4
83.05062	9.2
85.02986	10.7
87.00908	3.1
88.10394	1.5
89.02462	23.8
91.64687	1.6
93.84774	1.8
95.01397	2.0
96.96995	3.4
97.02972	3.2
99.00909	3.6
101.02470	20.4
101.28001	2.0
109.06631	3.1
111.08171	3.0
113.02464	13.1
113.76547	1.6
119.03499	6.8
119.12441	1.9
125.02429	9.7
129.41289	1.8
143.03502	3.6
161.04544	1.9
163.11275	15.5
165.12843	3.9
171.10298	23.8
179.05571	3.2
181.12329	2.8
185.11905	2.2
195.13901	4.0
201.11391	14.9
207.10345	13.7
209.11862	100.0
215.12872	2.9
221.06770	3.0
223.13321	2.0
225.11366	31.8
227.12999	7.2
235.08263	7.3
256.13226	2.6
275.20108	3.0
291.19702	47.5
293.21283	54.5
397.13608	32.5
415.14725	16.4
484.53885	2.0
623.26404	6.4
710.81281	2.3
859.20984	2.0
899.46283	3.3
917.46979	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	919.4477
Annotation	Unknow
Peak:m/z	Relative Intensity
67.40114	2.9
68.33723	3.0
71.01395	15.8
75.18655	3.1
83.04987	3.7
89.02470	19.7
97.02946	3.3
101.02446	17.0
109.06590	27.5
113.02441	7.0
135.08157	4.1
153.97673	3.1
163.11288	13.7
181.12251	4.0
189.09392	3.5
190.11768	3.6
201.11340	4.1
207.10275	93.6
207.12103	4.6
209.11841	4.5
225.11337	44.1
277.21802	48.9
352.20865	3.4
379.12296	5.4
397.13504	58.8
415.14767	16.1
587.23523	5.5
605.24750	21.9
623.25049	7.3
883.47101	100.0
919.44958	41.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.3885
Annotation	Unknow
Peak:m/z	Relative Intensity
64.16722	15.6
71.01405	100.0
73.26357	16.6
73.70600	14.6
75.51826	15.2
79.22129	16.4
81.08959	19.2
85.64198	17.5
89.02427	24.2
101.02449	19.2
171.10289	24.6
171.85399	16.4
207.10303	19.7
209.11870	73.1
210.12318	30.4
225.11246	27.6
226.11514	25.6
245.05992	17.4
273.77481	17.8
607.28168	22.2
710.75806	19.1
905.96399	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
67.70495	59.3
67.85287	61.9
85.62035	77.2
125.02354	100.0
179.22659	75.9
461.87280	77.2
516.46991	99.6
524.07684	89.1
578.11237	80.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00339	0.5
68.12626	0.3
83.01398	1.2
83.80370	0.4
97.53429	0.3
107.01405	2.3
108.02150	0.6
109.02960	0.7
112.76850	0.3
125.02455	3.6
133.02867	0.3
135.00856	0.7
137.02409	0.4
138.59122	0.3
148.01613	0.4
149.02452	0.6
151.00386	8.8
153.01917	0.4
161.02448	0.7
163.00342	2.6
164.01138	0.5
165.01981	0.5
169.01445	0.7
171.04514	0.4
175.04022	0.5
175.54639	0.3
178.99864	5.5
187.04063	0.4
188.04694	0.5
190.02667	0.6
190.99817	0.4
199.03973	0.5
214.02731	0.5
216.04314	0.7
226.02737	4.3
227.03510	2.2
242.02119	0.5
243.03003	14.7
244.03644	0.4
254.02223	5.2
255.03003	11.5
271.02521	61.4
272.03021	2.8
283.02307	0.6
287.01990	2.4
299.01938	0.6
300.02795	88.7
301.03546	21.9
316.02319	6.7
317.03088	2.9
343.04709	0.7
463.08917	100.0
464.09134	0.7
740.13354	0.5
786.56952	0.3
935.84558	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
64.01186	1.5
71.01392	14.1
73.98341	1.8
78.95942	1.7
85.02966	3.6
89.02460	17.3
92.10202	1.6
97.02955	2.5
101.02453	11.3
107.94067	1.6
113.02448	9.3
119.03518	1.9
125.02432	4.2
144.56731	1.6
169.12434	6.5
169.96704	1.8
179.05667	2.0
197.11861	100.0
221.06731	2.4
235.08469	3.4
277.21793	49.1
379.12408	7.4
397.13531	30.2
415.14828	3.1
449.73395	2.5
532.96429	1.9
556.00146	2.2
577.25281	4.1
595.26184	7.8
644.66357	2.1
649.00562	2.0
675.36572	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	916.4924
Annotation	Unknow
Peak:m/z	Relative Intensity
79.42962	79.2
83.10275	77.6
117.05064	83.1
621.41302	85.5
675.11572	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	916.4921
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01397	66.9
78.95912	44.1
89.02431	73.6
92.10175	53.9
93.54050	45.0
104.13570	40.8
118.24779	41.6
158.92479	37.7
161.54712	47.5
171.10240	81.1
172.44046	41.1
209.11838	54.9
220.98770	43.2
291.19669	67.3
293.20529	73.8
294.21686	69.9
309.20465	100.0
310.20978	50.1
598.42078	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99805	1.9
69.03479	6.4
70.37124	1.1
71.01385	100.0
72.99317	2.7
73.02966	6.7
78.21821	1.2
81.03465	2.2
81.29478	1.2
83.01394	4.6
84.02206	2.3
85.02975	8.4
87.00880	12.1
89.02453	19.7
92.10115	1.7
95.01420	1.7
95.05009	1.2
97.02956	9.9
97.06607	1.9
99.00922	1.5
101.02449	18.3
102.84359	1.1
106.82050	1.3
108.02187	1.6
109.06609	9.4
110.03753	2.2
111.04539	6.8
111.08144	1.8
113.02475	10.6
119.03526	5.6
122.03727	1.4
123.04563	6.3
123.08177	3.0
125.02442	6.7
125.09720	9.3
127.11317	2.0
135.08220	2.4
137.02484	1.5
142.02728	2.7
145.46429	1.2
151.11295	2.2
161.09749	6.7
163.11305	13.2
171.10310	17.2
179.05675	2.3
179.10773	12.0
181.12451	2.8
185.11916	2.9
197.11874	6.1
201.11436	6.0
205.08759	10.7
207.10312	52.2
209.11838	8.5
210.12399	1.5
211.13472	6.3
213.11360	1.5
215.12950	1.6
223.09824	22.7
225.11371	18.0
235.08174	2.0
239.12906	22.7
243.12445	1.2
269.10535	1.2
271.15430	1.9
273.17123	47.2
281.90988	1.4
305.08475	1.3
315.95490	1.3
372.57523	1.2
397.13486	12.9
415.14706	6.7
440.17657	1.4
478.05273	1.6
496.67563	1.2
558.37549	1.5
621.24188	1.7
623.25342	5.7
697.50787	1.8
877.41010	2.8
913.40002	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	911.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03471	1.2
71.01376	6.2
83.01405	1.2
83.05032	3.4
84.02114	0.8
85.02988	1.6
87.00874	31.2
89.02439	3.1
101.02471	3.7
109.02995	1.1
113.02431	1.0
121.02954	1.9
122.03747	5.3
123.04535	1.5
130.99876	8.6
133.01416	1.0
135.04520	1.0
137.02475	1.5
139.04097	0.9
146.03741	9.3
147.04535	9.2
148.05310	1.1
149.02513	1.5
150.03123	1.1
159.04556	6.1
161.02495	1.2
161.06133	4.2
162.03198	1.1
162.06833	3.3
163.04001	1.2
163.11340	3.0
164.04779	1.4
165.12814	1.2
172.05322	4.5
173.06073	3.5
174.03239	5.6
174.06831	1.7
175.03952	9.9
185.06123	1.0
186.06842	3.2
187.04091	3.4
187.07675	3.2
188.04825	5.7
189.05595	7.7
190.06364	35.2
192.04361	1.1
196.05293	0.9
197.11777	1.0
199.07706	1.0
200.04800	14.4
201.05699	1.7
209.11868	33.6
211.13406	11.0
214.06403	1.2
215.07104	1.1
216.07983	3.4
218.05922	1.6
231.13913	1.0
242.05733	0.8
243.13916	1.1
245.11835	1.1
254.04387	1.3
255.13918	0.9
259.13416	1.8
269.15445	1.3
271.13434	18.7
283.13367	3.3
285.14981	3.4
287.13342	1.4
287.16626	3.9
289.14423	6.7
289.44742	0.8
297.14981	17.1
299.12946	6.2
300.13629	1.8
301.14520	1.9
311.13107	1.7
313.14325	3.3
315.16077	73.3
317.13995	1.4
323.16553	5.3
325.14447	24.4
331.15448	3.1
333.17157	16.7
339.16083	2.9
341.13992	1.6
341.17557	9.2
343.15582	12.7
357.17065	5.0
367.15411	1.7
369.13522	1.5
594.73407	1.0
756.88660	1.0
833.36536	1.4
851.37775	2.0
893.38354	3.1
911.39404	100.0
912.39667	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	913.2995
Annotation	Unknow
Peak:m/z	Relative Intensity
64.35052	0.4
65.01234	0.4
65.28957	0.4
71.01395	0.8
72.64097	0.4
73.02940	0.6
83.01419	1.0
83.05040	0.4
89.02458	0.8
92.10142	0.6
101.02467	0.7
107.01407	1.1
108.02174	0.9
109.02988	0.7
113.02515	0.8
121.03060	0.6
123.04543	0.5
125.02460	9.6
145.03012	0.5
148.01619	0.6
148.04446	0.5
151.00406	8.3
151.04004	1.0
161.02434	0.7
163.00371	0.6
164.01149	0.7
165.01897	0.5
165.12801	0.7
169.01469	5.8
177.01950	0.6
178.99872	2.8
207.13933	3.5
209.11896	5.9
225.15013	8.2
226.02750	0.8
227.03738	1.6
227.12932	40.8
228.13484	0.6
243.03006	7.0
245.04610	1.0
251.12889	1.0
254.02287	1.8
255.03030	14.8
269.13971	10.0
271.02530	34.1
272.03040	1.0
283.02493	0.9
287.15051	100.0
289.07260	0.9
300.02802	62.9
301.00070	0.8
301.03555	23.7
303.99310	0.6
329.16217	0.9
441.08496	0.9
449.20370	35.5
463.08905	36.9
464.09424	0.7
872.81677	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
68.38692	11.0
76.79014	9.5
79.41943	10.6
101.02457	12.9
116.92896	26.8
121.03129	10.1
167.21552	11.4
174.63910	11.7
197.11772	13.6
209.11833	49.3
210.12134	17.2
235.08189	15.3
291.19345	39.3
305.17691	16.8
309.20877	100.0
504.22778	12.5
512.06384	13.8
801.52051	13.9
872.69611	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	907.5281
Annotation	Unknow
Peak:m/z	Relative Intensity
66.30326	2.6
67.81097	3.2
69.17538	2.6
71.01392	18.4
80.01759	2.6
85.02975	4.4
89.02451	19.5
101.02460	14.8
111.76283	2.6
113.02479	4.9
119.03506	5.0
143.03508	4.2
183.13918	4.4
193.10149	3.2
211.13451	100.0
255.23325	83.5
379.12543	6.9
397.13525	38.1
415.14719	4.4
591.26978	4.7
653.37421	13.4
847.52673	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	911.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	11.0
87.00874	32.4
98.18093	1.6
101.02423	2.8
111.69345	2.0
121.02943	4.4
122.03740	9.5
125.02483	3.1
134.81273	1.8
135.04539	3.7
136.05290	21.6
147.04541	3.1
148.05383	4.5
150.03189	3.6
162.06851	9.2
163.04057	2.7
164.04822	2.1
165.12877	2.1
193.27452	2.0
209.11890	43.9
211.13498	7.3
216.83479	2.0
257.15433	8.7
259.17105	4.2
287.16577	100.0
305.17575	21.3
313.18054	17.0
315.16150	21.2
329.17764	15.0
331.19345	2.9
333.17157	14.8
341.17435	3.5
357.17053	8.2
398.53006	1.9
565.77637	2.4
911.39301	82.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3092
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02417	0.5
65.00335	0.6
75.02723	0.5
77.12632	0.5
83.01393	0.7
93.03462	0.8
107.01404	3.4
109.02966	2.9
121.02956	3.1
125.02435	1.1
136.36737	0.6
151.00377	18.9
153.01897	1.0
154.07060	0.6
163.00374	4.5
169.01395	0.8
171.04445	0.6
178.99866	6.9
203.03528	0.7
211.03946	2.0
226.02789	0.6
227.03580	2.3
229.05113	2.4
243.03046	8.5
245.04488	3.6
254.02274	0.9
255.03012	23.4
256.03595	0.8
271.02518	48.7
272.03149	2.3
273.04196	0.7
283.02487	1.3
299.02014	0.8
300.02792	100.0
301.03571	63.1
339.87341	0.6
396.62283	0.6
447.09396	98.9
448.10001	0.9
652.61053	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	10.4
71.01733	0.7
72.99339	0.6
73.02969	0.6
76.69399	0.5
83.01425	3.0
85.02971	8.5
87.00897	5.1
89.02437	5.3
96.96033	1.0
99.00880	7.6
101.02459	4.6
109.02978	8.5
111.00905	0.8
112.98801	0.6
113.02444	5.9
115.00375	21.3
119.03459	2.2
121.02956	0.6
125.02445	2.3
127.00342	3.9
133.02957	6.5
135.04504	4.7
137.02487	0.8
139.00400	1.3
145.03098	1.6
147.04500	4.6
148.05344	2.3
149.02458	0.8
149.06085	31.3
157.01384	0.7
159.03027	1.1
159.04523	2.2
161.02454	38.1
161.06084	2.6
163.04033	3.2
165.05525	2.3
167.03386	0.6
169.01331	0.8
171.04478	1.0
174.03197	2.7
175.02481	41.7
175.04013	13.2
177.01970	13.6
177.05550	0.7
179.03487	2.2
179.05560	1.3
185.06091	2.0
187.04010	5.3
188.04681	1.0
189.05592	6.8
190.02730	0.9
191.03619	1.3
191.07106	0.6
193.05106	7.5
203.03522	3.8
205.05060	2.0
206.02211	2.2
213.05634	0.8
215.03508	6.8
215.07014	1.1
217.05087	2.7
219.03006	14.3
229.05142	0.9
231.02901	1.2
231.06689	2.6
232.03717	1.2
233.04579	18.5
237.04088	23.1
245.04533	2.8
247.06100	2.2
249.07762	3.1
257.04535	1.1
275.05676	5.9
277.03503	7.0
293.06604	6.9
319.04590	3.7
337.05463	25.7
348.82788	0.5
364.51080	0.7
432.58334	0.6
445.23105	0.6
453.77170	0.5
455.12137	2.7
499.11002	100.0
500.11264	2.2
557.37469	0.6
577.70520	0.6
647.95490	0.6
665.60785	0.6
710.28973	0.7
838.04626	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	905.1795
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00330	0.6
66.24611	0.2
69.03464	0.4
79.28497	0.2
81.03466	1.6
83.01395	1.6
83.52545	0.2
91.98126	0.2
93.03476	0.4
95.01405	0.3
95.05028	0.4
97.02972	2.6
107.01378	3.7
108.02182	1.4
109.02956	8.2
111.00924	0.3
121.02969	3.3
123.00883	1.2
123.04543	3.1
124.01672	1.3
125.02441	51.1
126.02837	0.3
135.00873	0.4
135.04520	0.3
137.02441	5.0
139.00352	0.3
139.04016	1.2
140.01155	0.5
143.04999	0.3
145.02977	1.9
146.03735	0.4
148.01677	1.1
149.02432	2.9
151.00378	11.3
151.01549	0.5
151.04012	4.1
159.04559	1.9
160.05289	0.4
161.02499	1.3
161.06094	2.2
162.03166	0.5
163.00397	2.9
163.04007	0.3
164.01166	1.4
165.00656	0.3
165.01907	1.7
166.99870	0.4
167.03593	0.5
168.00623	0.5
169.01440	71.3
170.01741	0.5
174.03214	0.3
175.04134	0.7
175.07687	0.4
178.99905	4.8
179.03461	2.0
179.50792	0.3
185.06097	1.1
187.04034	2.2
188.04796	1.5
192.00597	0.3
193.01407	3.4
199.03992	0.3
201.05576	1.0
202.06404	0.3
203.03531	0.3
203.07170	4.1
205.01411	0.4
205.05095	3.0
211.04057	1.4
213.03865	0.3
215.03499	0.3
221.08255	0.6
226.02731	1.2
227.03564	2.5
227.07162	0.5
229.05119	1.0
234.73085	0.2
243.03009	9.1
244.03662	0.4
245.04623	1.7
245.08202	5.5
253.05051	1.2
254.02298	3.0
255.03033	25.5
256.03482	0.4
259.06125	0.5
271.02530	55.7
271.05920	2.7
272.03171	2.5
273.04153	1.6
283.02548	1.2
289.07224	25.8
299.02026	1.5
300.02795	100.0
301.03564	39.1
301.07111	0.5
302.04193	0.5
303.05096	0.5
331.04642	0.9
344.57736	0.3
441.03302	0.6
441.08340	29.1
463.08923	80.3
464.09308	1.5
504.75348	0.2
570.29834	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	903.3647
Annotation	Unknow
Peak:m/z	Relative Intensity
63.80006	1.1
71.01382	100.0
72.99319	1.6
73.02970	5.0
73.75748	1.0
76.50305	0.9
80.02672	1.8
81.03466	4.1
83.05045	5.3
84.02183	1.4
85.02981	7.3
87.00890	5.2
87.53578	1.0
89.02448	18.5
93.03494	1.2
95.01373	1.2
95.05022	2.6
95.83595	1.1
97.02962	11.0
99.00898	4.9
101.02442	13.9
107.05054	2.5
109.06603	38.9
110.03754	1.8
111.04543	1.9
113.02461	8.4
119.03514	2.4
121.02915	1.5
121.06582	2.1
123.04532	1.7
123.58873	1.1
125.02454	6.6
125.09743	2.5
133.94177	1.3
135.08185	6.9
136.05281	1.3
141.01973	1.7
142.02748	4.8
143.03513	2.6
154.00871	1.1
161.04630	2.3
161.09718	6.8
163.11296	25.0
171.10332	9.3
179.05594	4.7
179.10875	1.7
181.12427	10.2
185.11797	2.5
197.11874	2.6
201.11298	5.3
205.08801	2.3
207.10301	91.1
209.11856	22.8
221.06734	2.1
223.09744	8.4
225.11372	56.7
227.12982	4.3
235.08104	1.5
243.12408	2.7
335.73154	1.2
397.13617	8.8
400.53128	1.1
415.14447	6.8
415.20935	1.1
461.20721	1.4
623.25549	13.2
658.73895	1.3
831.36310	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	901.4818
Annotation	Unknow
Peak:m/z	Relative Intensity
63.54015	0.5
65.34434	0.6
65.78764	0.5
69.03476	1.2
71.01382	16.0
71.01705	0.8
72.99339	0.8
73.02978	1.5
78.95940	0.6
80.02731	0.6
81.03474	1.1
83.01381	2.3
83.05042	5.5
84.02179	0.8
85.02969	3.5
87.00907	2.8
89.02451	16.3
90.07664	0.6
91.67358	0.6
95.01418	1.0
95.05054	0.9
96.95997	0.9
97.02946	1.5
99.00919	0.9
101.02450	10.3
109.06612	0.6
111.04510	0.7
111.08203	0.8
113.02449	6.5
113.96727	0.5
119.03510	3.1
125.02460	4.2
125.06137	0.9
143.03543	1.0
153.74834	0.6
161.04590	1.5
163.11298	5.6
165.12880	2.7
171.10318	2.8
179.05647	2.8
181.12344	1.1
191.10837	0.8
195.13936	10.4
196.14716	0.7
201.11311	1.3
205.12370	0.9
205.16101	0.8
209.11871	91.3
211.13512	1.1
220.32260	0.6
221.06607	2.2
223.13452	7.9
225.14954	0.7
225.53754	0.8
227.12952	9.7
228.13441	0.7
235.08284	4.2
253.09352	1.0
275.20206	6.9
293.21280	100.0
305.08698	0.8
341.23459	3.2
379.12408	2.3
397.13568	25.1
404.84680	0.7
415.14594	9.9
607.26160	0.7
820.58417	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	901.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21582	1.5
69.03452	1.4
71.01382	100.0
72.99290	1.1
73.02943	3.3
81.03487	2.0
85.02964	7.3
87.00879	5.5
89.02441	17.0
92.10762	7.1
93.03464	1.8
97.02969	9.5
99.00871	3.2
99.96680	1.3
101.02425	11.5
101.57281	1.3
108.07722	1.6
109.06589	16.0
113.02461	8.8
119.03530	2.0
125.02448	6.3
135.08189	1.5
158.93788	1.4
161.04587	2.4
161.09740	1.6
163.11301	17.6
171.10268	20.9
179.05617	2.6
181.12360	6.1
199.09685	1.8
201.11470	10.4
207.10310	63.5
209.11833	3.2
221.06628	2.6
225.11369	38.6
261.29999	1.3
271.07034	1.5
277.21768	47.8
284.96973	1.4
290.34598	1.4
326.27731	1.4
379.12262	2.9
397.13605	23.2
402.77750	1.6
415.14731	3.3
522.48798	1.6
605.24652	3.4
623.25818	6.6
883.47186	18.0
884.47559	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	901.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
67.21476	1.5
71.01392	100.0
73.02970	6.1
81.03499	2.2
85.02979	7.0
87.00909	2.2
87.95795	1.5
89.02461	18.6
95.89159	1.6
97.02954	11.2
101.02462	17.0
109.06594	13.9
113.02460	10.6
116.89989	1.6
119.03499	3.7
125.02435	6.6
135.08165	1.9
136.05322	2.5
141.36392	1.7
161.04529	1.8
163.11313	10.7
171.10274	10.0
171.64400	1.7
181.12262	1.9
201.11368	2.6
207.10298	49.2
225.11328	22.7
226.87332	1.7
253.09402	2.7
277.21738	40.1
289.07358	1.8
324.78735	2.4
397.13483	23.5
415.14554	6.7
502.89960	1.7
546.78479	2.0
608.15973	1.8
623.25897	6.9
711.98834	2.1
712.21594	1.7
883.46747	18.5
884.46393	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	901.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
65.67549	0.4
67.28221	0.4
69.03464	0.5
70.28396	0.4
71.01385	13.3
72.99326	0.4
73.02953	3.0
77.63277	0.5
80.02685	0.9
81.03468	2.3
83.01408	2.0
83.05037	5.7
84.02184	1.8
85.02937	3.2
87.00855	3.1
89.02442	13.6
95.01389	0.9
95.05045	0.6
96.96011	1.0
97.02957	2.1
97.27673	0.4
99.00821	1.3
101.02450	9.5
111.08222	0.5
113.02452	6.3
114.19920	0.5
119.03511	4.0
125.02450	5.9
135.08156	0.6
140.61673	0.5
143.03535	1.1
157.19878	0.5
161.04579	1.7
163.11292	6.7
165.12839	3.8
179.05609	2.3
181.12338	0.9
191.10817	1.8
195.13902	7.2
205.12329	0.7
209.11865	100.0
221.06667	0.8
223.13487	4.8
223.59666	0.5
227.12936	8.5
228.13603	0.5
235.08209	3.5
253.09282	0.6
256.13150	1.9
275.20245	4.3
287.07721	0.6
293.21274	82.3
294.21594	1.0
318.15915	0.5
379.12524	3.2
397.13593	33.1
415.14627	10.1
485.32678	0.6
535.02374	0.6
607.26215	2.5
832.41370	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4981
Annotation	Unknow
Peak:m/z	Relative Intensity
66.44171	18.6
121.34135	22.9
153.45384	23.3
155.86176	23.0
168.30739	22.6
199.18501	26.7
291.19617	55.0
292.20172	50.7
293.20413	38.8
309.20813	100.0
310.21045	39.2
311.21536	36.3
417.45428	26.0
575.85547	26.6
802.41473	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.496
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68208	43.9
78.67749	53.0
78.95924	74.0
105.18910	46.7
117.77167	48.3
141.63585	46.5
148.08015	43.6
160.94661	43.3
182.25220	56.8
197.11900	76.6
225.58113	54.8
260.46289	68.5
262.01447	55.2
278.04980	54.7
291.19614	100.0
292.20084	54.6
309.20728	69.7
361.01230	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	100.0
73.41158	3.9
81.78888	4.5
87.00908	7.4
88.32075	4.7
89.02481	21.1
97.02937	5.8
99.00866	5.0
101.02511	15.7
109.06621	18.3
113.02465	5.9
121.02951	6.1
125.02465	8.2
163.11333	9.0
171.10283	10.7
179.03456	7.9
179.05650	6.0
181.12402	5.6
207.10332	61.4
209.11794	41.8
210.70593	5.4
225.11307	30.7
623.24860	6.9
748.82318	5.0
805.47943	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	899.4505
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01396	7.5
83.01398	1.9
83.05041	4.9
85.02969	1.4
87.00874	1.9
89.02448	6.5
100.06592	1.4
101.02460	6.0
101.82348	1.2
113.02473	3.0
119.03457	1.3
125.02454	5.4
163.11275	7.5
165.12828	2.6
179.05663	1.4
209.11858	100.0
214.44855	1.2
227.13008	9.6
228.13081	1.5
235.08400	1.8
258.11716	1.4
296.54294	1.3
379.12506	6.5
397.13589	17.1
415.14578	2.1
607.26495	2.1
891.37830	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	899.4656
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	24.9
72.99358	1.9
81.03459	3.6
83.01424	2.8
83.05036	4.6
85.02975	2.6
87.00866	2.9
89.02432	22.1
101.02457	17.1
105.89034	2.1
109.06604	7.9
111.08195	10.5
113.02489	10.2
119.03535	8.2
125.02459	8.1
141.01805	2.1
163.11319	11.6
163.12578	2.1
179.05678	3.2
195.13881	12.3
207.10286	15.7
209.11867	92.9
225.11320	10.6
227.12944	12.5
235.08167	2.4
291.19730	100.0
293.21378	16.7
379.12665	2.4
397.13483	28.1
415.14816	11.0
627.04449	2.2
689.33966	4.5
822.89429	2.6
861.43433	2.7
898.63892	2.2
899.46246	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	899.4664
Annotation	Unknow
Peak:m/z	Relative Intensity
62.33643	1.5
63.67426	1.4
63.74977	1.8
71.01386	16.5
83.01375	2.0
83.05029	7.0
85.02965	3.2
87.00905	2.7
88.75178	1.7
89.02456	13.4
96.96017	1.8
97.02984	2.2
101.02464	10.3
109.06628	1.8
111.08194	6.7
113.02454	8.3
119.03434	2.1
125.02445	3.5
141.01695	1.7
163.11316	7.1
165.12788	2.8
195.14029	2.8
209.11880	100.0
215.87308	1.7
227.12863	12.0
235.08148	2.6
241.61575	1.6
263.24118	1.7
291.19742	68.7
368.62247	1.8
379.12802	2.1
397.13635	30.7
415.14624	9.7
607.25983	3.3
671.32269	2.6
833.15033	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	899.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99831	1.2
71.01385	5.9
73.02962	1.0
75.51711	0.6
82.68266	0.6
83.01405	8.5
85.02960	6.5
87.00889	4.3
89.02447	1.1
93.03470	8.3
95.01369	1.0
96.99351	0.7
97.02950	0.6
97.69988	0.6
99.00921	2.7
101.02483	1.6
108.02172	8.5
109.02972	8.5
111.00937	0.9
113.02502	4.6
113.33306	0.6
115.00362	6.5
117.03484	4.5
117.05567	2.3
119.05026	17.7
121.02950	2.9
123.04521	3.0
125.02428	3.6
127.00432	1.0
131.03448	0.6
131.05026	1.4
133.02953	3.8
133.06589	6.0
135.04459	1.2
137.02539	0.8
143.05051	3.5
145.02980	15.2
145.06622	3.2
147.04535	24.7
149.06082	15.5
151.04025	0.9
152.01169	11.5
153.01935	5.2
157.06575	0.9
159.04515	2.9
161.02441	4.3
161.04839	1.0
161.06084	9.2
163.04028	2.8
165.05618	5.9
169.06577	2.4
171.04539	3.7
173.06075	6.7
174.03214	3.2
175.02472	12.5
175.03993	4.6
175.07671	0.8
177.05598	37.0
185.06076	3.1
187.03998	3.7
187.07700	1.0
188.04666	0.9
189.05595	13.4
193.05087	8.3
197.06081	4.3
199.04037	6.8
199.43655	0.7
200.04933	0.7
201.05580	5.9
203.03500	1.2
203.07118	3.5
204.04401	2.3
205.05101	3.7
211.07651	0.8
213.05632	4.7
213.49475	0.7
215.07144	7.1
217.05096	36.6
219.06758	6.8
221.04590	100.0
229.05095	3.5
231.06659	3.6
233.08232	2.3
241.05093	8.4
255.06598	6.5
259.06119	9.9
261.04071	38.6
273.07843	4.6
277.07297	7.4
293.48618	0.8
301.07141	1.1
319.08316	7.1
321.06213	44.6
337.07883	1.2
415.12457	14.8
439.12622	8.0
483.11481	32.2
517.35468	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	899.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00340	0.2
65.53209	0.2
76.89034	0.2
81.43866	0.2
93.03458	0.4
107.01392	0.9
112.33664	0.2
114.39565	0.2
117.98297	0.2
133.89810	0.2
135.00905	0.4
145.02953	0.2
151.00374	1.0
151.50307	0.2
153.01991	0.3
159.04507	0.3
163.00336	1.5
169.06548	0.3
178.99825	0.2
183.04634	0.2
185.06100	1.2
187.03973	1.7
189.05612	0.8
195.04570	0.2
197.06084	0.7
199.04008	0.4
201.05582	0.3
211.03934	1.4
212.04726	0.2
213.05617	0.9
227.03523	29.7
228.03954	0.8
229.05054	7.7
239.03497	1.0
240.04236	0.4
241.05031	1.0
243.03084	0.2
255.03006	43.2
256.03702	4.4
257.04572	4.1
267.03055	0.4
284.03293	57.0
285.04068	65.1
286.04398	0.9
327.04938	0.3
343.08951	0.3
431.09888	100.0
432.10095	1.7
757.38806	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	897.5238
Annotation	Unknow
Peak:m/z	Relative Intensity
66.37600	0.7
69.89364	0.8
71.01401	4.0
83.05045	1.0
84.94483	0.8
89.02477	4.9
100.39689	0.7
101.02425	5.4
111.08199	1.1
113.02470	2.9
115.16719	0.7
125.09698	1.0
131.03348	0.7
131.63968	0.7
153.09245	2.8
163.11375	5.0
165.12865	6.4
171.10277	4.5
179.14464	1.2
181.12418	2.8
185.11833	1.0
188.21060	0.8
189.12840	0.8
193.16011	3.2
195.13943	1.7
197.11877	4.5
209.11868	13.0
223.13484	3.3
229.19637	0.8
235.08293	1.0
247.20677	11.7
253.09306	8.7
263.20157	1.2
273.18652	1.6
289.18158	2.8
291.19724	100.0
293.21329	10.1
307.19250	12.4
309.20782	99.4
309.24506	1.5
325.20303	3.6
346.26572	0.8
543.28076	3.7
581.34558	0.8
597.76538	0.8
819.49420	6.8
837.49152	0.9
884.89197	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.3927
Annotation	Unknow
Peak:m/z	Relative Intensity
70.40119	1.3
71.01379	13.1
73.02969	1.8
75.55842	1.6
81.03468	2.7
83.05039	7.9
84.05367	1.5
85.02943	2.0
89.02454	11.3
101.02472	7.8
113.02429	7.2
114.01796	1.5
125.02421	2.4
136.54196	1.6
164.11647	2.5
209.11852	100.0
210.12183	54.3
211.12489	20.4
212.12573	2.9
227.12932	9.7
228.13199	7.3
229.13446	1.8
397.13516	9.9
398.13852	10.8
399.14008	9.8
665.42365	2.4
682.52966	1.7
824.77008	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	897.4864
Annotation	Unknow
Peak:m/z	Relative Intensity
64.43231	2.9
71.01383	19.9
72.70691	2.3
76.58249	2.5
83.01430	3.6
83.85081	2.4
85.02962	3.2
89.02472	16.7
101.02469	12.1
113.02488	5.3
113.45554	2.2
114.38475	2.2
119.03543	3.7
124.85064	2.4
125.02477	10.7
164.81419	2.5
171.10307	3.1
188.49521	2.3
195.13940	13.9
205.12381	4.1
209.11996	2.8
211.13443	9.9
223.13452	79.0
235.08142	3.0
246.80429	2.4
253.09323	3.6
275.20151	2.9
291.19809	23.9
293.21277	100.0
309.20786	15.1
397.13559	28.8
415.14642	12.1
495.76685	2.9
621.27838	9.6
778.24829	3.1
852.65759	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	897.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	79.4
71.01715	3.8
73.02974	5.1
75.00877	3.7
85.02969	5.0
89.02475	23.4
94.38943	4.1
97.02950	7.3
99.00879	4.1
101.02453	19.1
102.40262	3.4
109.06657	6.1
113.02457	7.7
119.74364	3.4
125.02464	6.9
146.45297	3.5
171.10265	52.6
199.09750	15.1
201.11406	6.3
207.10320	23.9
210.43042	3.9
225.11388	14.5
255.23332	100.0
284.41324	4.4
305.09030	4.3
309.20712	4.6
397.13495	46.8
415.14517	6.0
835.47375	4.1
861.48285	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	897.4352
Annotation	Unknow
Peak:m/z	Relative Intensity
68.86329	0.5
69.03463	3.5
71.01382	45.9
72.99314	1.1
73.02953	5.6
79.80163	0.6
80.02689	1.4
81.03475	5.1
83.01384	6.8
83.05032	6.9
84.02178	1.4
85.02957	8.4
87.00872	6.3
89.02438	25.7
92.10874	1.4
93.03468	1.0
95.01398	3.3
95.05022	1.4
96.90460	0.6
97.02948	11.9
97.06614	0.7
99.00928	0.8
101.02439	20.1
109.06598	6.6
110.03740	0.7
111.00919	0.9
111.04568	0.9
111.08205	0.8
113.02451	12.0
118.03511	0.6
119.03502	6.2
123.08206	0.9
123.46117	0.7
125.02434	7.7
125.09729	5.5
127.11275	3.1
131.03494	0.9
135.08186	3.1
135.19890	0.8
142.02722	2.8
143.03493	3.5
161.04561	3.2
161.09784	1.1
163.11292	20.0
165.12875	3.7
171.10291	18.8
175.04204	0.6
179.05713	5.1
179.10786	4.0
181.12308	2.5
185.11926	1.4
189.09230	0.8
191.10811	3.3
197.11867	17.6
201.11354	13.3
201.73711	0.6
207.10303	45.9
209.11868	100.0
210.12155	0.8
211.13429	1.6
215.13013	1.0
221.06668	4.5
223.13332	0.9
225.11372	25.6
227.12958	9.1
235.08229	6.0
239.12912	26.1
243.12280	1.0
253.09309	0.9
271.15561	1.6
273.17117	52.9
287.07751	1.1
379.12332	4.7
397.13544	30.3
415.14609	10.8
605.24896	1.5
607.26721	1.4
623.25464	3.6
879.42957	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	897.1534
Annotation	Unknow
Peak:m/z	Relative Intensity
65.08371	0.5
71.01395	0.6
78.50266	0.6
81.03453	1.5
83.01392	4.1
84.79360	0.6
85.78983	0.5
89.04003	0.7
93.03465	1.5
95.01397	0.6
95.05013	1.0
97.02949	2.5
105.03489	1.1
109.02956	14.0
117.03427	0.6
121.02932	5.3
123.00843	1.4
123.04521	8.4
124.01649	1.0
125.02447	100.0
131.05008	1.1
133.02939	3.7
134.03665	0.6
135.04488	4.4
137.02464	14.9
139.04015	2.4
143.05019	0.9
145.02991	5.0
146.03732	0.8
147.04544	1.5
149.02458	10.3
150.03198	0.6
151.04037	12.6
151.74809	0.7
157.06696	0.9
159.04514	7.2
160.01648	1.1
161.02458	12.5
161.06134	4.6
162.03172	1.1
163.00392	3.8
163.03993	5.9
164.01173	3.1
165.01947	5.7
167.03554	4.5
169.01440	15.6
169.06537	0.7
171.04480	0.8
173.02441	0.6
173.06056	0.6
174.03183	2.4
175.00319	1.2
175.04024	18.4
176.01175	1.0
177.01953	59.9
177.05504	2.5
179.03502	1.5
183.04535	2.2
184.05283	0.7
185.06078	3.0
187.04037	7.5
188.04826	0.9
189.01933	2.6
189.05618	1.2
190.02614	0.7
191.03494	2.6
193.01439	2.9
197.06204	1.3
199.04086	7.7
201.01958	2.7
201.05559	4.2
202.06401	0.7
203.03511	1.4
203.07133	4.9
205.05090	4.5
209.06068	1.0
211.04002	1.3
212.04726	0.7
213.05583	3.6
214.02748	1.1
215.03529	3.6
217.05026	5.4
219.02963	1.2
219.06659	0.8
225.05646	1.0
227.03459	4.2
227.07133	1.5
228.04225	0.9
229.05072	6.1
230.05898	1.3
231.02968	4.2
240.04146	0.7
241.05072	4.2
243.03024	12.7
243.06685	1.2
245.04538	1.3
245.08232	6.4
251.03543	1.1
253.05077	3.5
255.03000	13.3
256.03778	4.6
257.04514	4.7
259.06342	0.9
261.04056	3.2
267.03238	2.2
267.06473	0.6
269.04590	7.2
271.06171	8.0
273.04117	3.3
279.06479	0.9
280.03659	1.4
281.04611	4.1
282.01944	0.9
283.02563	2.9
283.05960	1.1
284.03177	1.3
284.68750	0.7
285.04092	24.9
285.07373	1.0
287.05652	3.6
289.07251	27.7
297.04028	4.7
299.05670	1.4
303.05249	6.5
309.04092	1.1
309.07562	0.8
323.05640	1.0
339.08716	3.1
345.07617	0.8
351.08661	0.7
375.08856	0.8
381.10110	0.7
383.13174	0.7
389.06766	4.3
407.07816	47.5
419.07788	3.6
423.07288	6.5
425.08728	0.8
431.07816	2.4
437.08701	2.2
441.08340	5.2
449.08716	6.9
455.05743	0.7
467.09689	2.7
557.11200	6.3
559.09027	3.9
575.12079	13.9
577.10083	3.1
593.13245	6.1
619.11182	3.1
727.13190	3.3
745.14313	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	897.153
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96262	0.6
77.73026	0.5
78.37382	0.5
81.03472	2.4
83.01388	2.6
93.03458	2.3
95.05013	1.1
97.02953	1.5
107.01403	0.6
109.02960	15.5
117.03480	0.8
118.56316	0.6
121.02933	4.5
123.00879	2.5
123.04515	8.2
124.01638	1.3
125.02444	100.0
131.05055	1.2
133.02975	3.9
135.04521	6.1
137.02438	14.7
139.04068	0.6
143.05026	1.0
145.02965	4.8
146.03719	1.5
147.04515	1.4
148.01627	1.0
149.02440	11.3
150.03242	0.8
151.00336	0.8
151.03999	12.6
158.03729	0.6
159.04517	5.5
160.01715	0.6
161.02435	9.5
161.06091	5.2
162.03192	1.2
163.00374	3.3
163.03986	6.0
164.01175	2.6
165.02007	4.4
166.02649	0.7
167.03537	3.6
169.01418	19.3
170.03735	0.7
174.03294	0.9
175.00409	1.8
175.04018	17.7
176.01106	0.9
177.01936	66.1
177.05342	1.9
179.03476	2.5
183.04425	1.1
185.06026	2.9
187.03987	8.5
188.04684	1.1
189.01878	1.4
189.05632	0.8
191.03474	2.5
193.01375	4.0
193.05057	0.8
196.05194	0.7
197.06096	0.7
198.03030	0.7
199.04019	6.0
201.01933	3.1
201.05574	5.2
203.03549	1.1
203.07210	6.0
205.01450	0.8
205.05086	5.1
209.06082	0.9
211.04013	3.2
212.04837	0.8
213.05542	4.3
214.02692	1.0
215.03520	3.2
216.04350	0.7
217.05023	6.9
219.03032	1.2
219.06560	0.7
221.08124	0.9
225.05539	2.9
227.03572	5.6
227.07103	1.3
228.04277	2.5
229.05037	5.4
231.02948	3.8
237.05476	1.1
239.03294	0.8
239.19255	0.7
241.05124	4.7
242.02208	0.7
243.02989	12.3
243.06651	0.9
245.04536	1.3
245.08212	7.8
247.06091	1.2
251.07607	0.6
253.05072	3.7
255.03030	11.2
255.06926	0.8
256.03766	5.0
257.04575	3.7
259.06174	1.3
261.03992	2.7
265.04968	1.0
267.02994	2.5
269.04562	3.7
271.06088	10.6
273.04031	4.3
281.04541	3.7
283.02448	4.1
283.05951	2.2
285.04053	26.8
287.05594	3.2
288.02731	0.9
289.07202	32.5
295.02448	0.8
297.04123	4.7
297.07196	0.9
299.02069	0.9
299.05594	2.3
303.05103	8.1
309.04205	1.1
319.05014	0.9
321.07715	1.2
323.05716	1.1
325.07373	0.7
327.05194	0.8
333.07913	0.8
339.08838	2.3
363.08832	2.6
389.06760	5.0
407.07767	50.0
419.07657	4.1
423.07266	3.8
425.08829	1.0
431.07648	4.1
437.08737	1.2
441.08392	5.4
449.08957	7.4
467.09882	2.7
539.09863	1.0
557.11157	7.5
559.09332	4.4
575.11810	13.5
577.09680	3.2
593.13007	5.0
601.09515	1.5
619.10913	2.6
727.13348	4.1
745.14294	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	895.5287
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68714	1.6
71.01378	21.2
71.44579	1.5
73.02965	2.3
78.07455	1.3
83.01385	1.5
83.05020	2.9
85.02948	2.6
87.00896	2.7
89.02444	16.9
92.10777	6.7
96.05616	1.5
97.02962	2.2
101.02467	12.8
103.47103	1.6
113.02469	8.3
117.45953	1.5
119.03481	2.8
125.02441	8.0
143.03487	2.2
151.51807	1.7
161.04646	2.4
163.11313	2.1
165.12871	1.8
171.10231	3.2
174.23782	1.6
198.69023	1.8
209.11861	100.0
227.12956	10.3
232.65323	1.8
235.08324	5.8
255.23312	73.3
285.11276	1.6
293.21094	6.4
379.12311	11.7
397.13498	40.7
415.14633	3.1
567.17035	1.8
607.27008	2.0
653.38538	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	895.4201
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03481	6.0
70.02274	4.1
71.01395	77.4
73.02958	5.5
75.00885	4.1
83.01411	6.1
83.05025	7.4
85.02985	8.5
87.00881	9.2
89.02473	24.5
95.01420	4.2
97.02992	8.5
99.88361	3.8
101.02450	26.1
109.06593	7.5
111.04543	17.0
113.02472	17.3
116.92947	4.5
125.02462	19.9
125.09714	10.2
130.31934	3.9
151.11281	5.2
155.10774	4.6
161.09705	4.4
163.11293	7.2
171.10307	29.6
177.09143	4.4
179.10793	9.8
197.11855	8.1
205.08775	9.4
207.10274	50.5
209.11874	26.0
211.13507	8.1
223.09779	48.4
225.11360	24.1
235.08260	6.2
239.13045	6.9
264.73825	5.8
273.17154	100.0
345.97372	4.3
393.79099	4.6
397.13501	37.5
415.14508	18.8
416.87863	4.7
877.40997	19.6
895.40680	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	893.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
64.12577	0.7
69.03480	1.6
70.74244	0.8
71.01393	17.4
72.97794	0.8
72.99337	0.6
73.02970	1.2
80.02705	3.2
81.03483	4.0
83.01415	1.0
83.05037	8.0
84.02218	1.2
85.02975	4.3
87.00891	1.5
89.02448	14.9
93.03522	0.8
95.01369	1.2
95.05065	1.4
97.02962	8.0
99.00886	1.8
101.02443	11.9
109.06593	18.7
111.55905	0.7
113.02467	6.7
119.03500	3.3
121.06597	1.6
125.02450	4.5
125.06026	1.0
125.09769	3.0
135.08202	4.4
136.05298	1.5
142.02731	1.2
143.03465	0.8
147.04509	1.3
161.04521	1.3
161.09679	1.2
163.11301	19.7
165.12856	3.8
175.04173	2.7
179.05605	1.3
181.12320	4.3
187.09738	0.9
191.10831	2.9
192.18301	0.7
207.08287	1.7
207.10291	64.4
209.11865	100.0
210.12248	0.8
221.06746	1.5
221.11977	1.1
225.11378	29.4
227.12914	9.2
235.08214	2.9
235.84749	0.7
247.13544	0.9
263.12881	0.8
305.08804	1.0
376.80276	0.9
379.12692	1.6
397.13559	18.9
399.21967	1.6
415.14694	4.3
417.22787	3.7
462.14520	0.8
605.24695	1.5
607.27118	1.2
608.91003	0.8
623.25800	1.6
763.13226	0.8
797.36316	11.5
815.37109	14.4
833.38348	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
62.77168	1.4
62.92507	1.3
71.01376	16.4
73.02953	3.5
81.03492	1.8
85.02971	6.2
87.00890	2.6
89.02446	20.5
92.10792	4.7
97.02975	3.5
101.02465	15.0
113.02469	6.6
119.03497	3.5
125.02446	5.9
143.03485	1.9
153.12738	1.9
161.04510	2.8
169.12331	6.2
179.05794	2.1
197.11848	100.0
199.76344	1.7
222.96596	1.8
235.08356	6.4
255.23335	91.7
368.53696	1.6
379.12445	14.1
397.13605	34.5
415.14658	7.7
440.61844	1.5
500.40649	1.6
529.63806	1.7
577.25433	5.9
591.14252	1.6
595.25702	3.5
653.37970	6.7
869.69678	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	891.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90823	0.9
67.26003	1.0
69.03463	1.7
71.01383	12.3
73.02937	1.5
80.02705	1.7
81.03500	2.2
83.05050	6.9
84.02187	1.5
85.02971	2.6
87.00888	2.6
88.98792	1.3
89.02451	17.0
92.36484	1.0
93.44846	1.0
97.02950	2.6
101.02444	10.9
113.02462	8.4
118.88925	0.9
119.03535	2.4
121.70209	1.0
125.02434	4.6
158.50294	1.2
161.04477	1.5
163.11313	7.2
165.12901	4.7
179.05595	2.3
179.14426	1.5
184.68115	1.1
195.13945	8.8
205.12329	6.2
209.11865	100.0
223.13420	48.2
227.12888	9.2
235.08203	2.1
240.75533	1.1
309.66064	1.1
330.47430	1.2
350.03021	1.1
375.65381	1.6
375.70313	1.3
379.12451	5.5
397.13562	26.6
415.14679	4.5
603.26770	2.3
607.26434	4.3
608.76697	1.2
621.27948	4.2
680.86023	1.2
813.39551	1.7
858.20856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4242
Annotation	Unknow
Peak:m/z	Relative Intensity
65.90823	0.9
67.26003	1.0
69.03463	1.7
71.01383	12.3
73.02937	1.5
80.02705	1.7
81.03500	2.2
83.05050	6.9
84.02187	1.5
85.02971	2.6
87.00888	2.6
88.98792	1.3
89.02451	17.0
92.36484	1.0
93.44846	1.0
97.02950	2.6
101.02444	10.9
113.02462	8.4
118.88925	0.9
119.03535	2.4
121.70209	1.0
125.02434	4.6
158.50294	1.2
161.04477	1.5
163.11313	7.2
165.12901	4.7
179.05595	2.3
179.14426	1.5
184.68115	1.1
195.13945	8.8
205.12329	6.2
209.11865	100.0
223.13420	48.2
227.12888	9.2
235.08203	2.1
240.75533	1.1
309.66064	1.1
330.47430	1.2
350.03021	1.1
375.65381	1.6
375.70313	1.3
379.12451	5.5
397.13562	26.6
415.14679	4.5
603.26770	2.3
607.26434	4.3
608.76697	1.2
621.27948	4.2
680.86023	1.2
813.39551	1.7
858.20856	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
63.49422	0.5
67.59731	0.5
73.02940	1.0
73.43189	0.6
77.02039	0.5
98.31465	0.5
99.92599	6.9
114.93408	0.9
116.92865	100.0
116.97240	1.0
117.01933	1.4
122.75520	0.6
637.68195	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01376	14.5
72.14458	0.8
72.99339	1.0
73.02963	2.1
79.76979	1.0
80.02722	0.8
81.03472	2.2
83.01399	1.5
83.05052	6.3
85.02970	5.4
86.29012	0.9
87.00902	3.9
89.02448	14.8
94.49796	1.0
97.02977	2.3
101.02444	13.9
103.18052	0.8
113.02463	7.7
119.03524	1.8
125.02460	5.4
132.45003	0.9
143.03497	0.9
161.04550	1.6
163.11292	4.5
165.12871	3.7
179.05598	1.2
191.10826	1.3
209.11859	100.0
227.12991	6.6
229.90350	1.0
235.08293	4.2
260.09473	0.9
283.26447	65.9
287.07828	1.4
338.58676	0.9
378.87399	1.0
379.12445	5.8
397.13556	34.0
415.14618	7.7
681.40033	1.2
734.38672	1.1
800.12384	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	891.388
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01383	14.5
73.02940	2.2
79.15192	1.8
83.01395	2.9
83.05025	3.9
85.02960	3.9
86.89125	2.2
87.65081	2.0
89.02437	15.8
97.02941	17.4
101.02443	12.6
109.06606	31.8
113.02469	9.9
116.92898	2.8
119.05065	2.4
125.02460	3.9
125.09749	4.4
129.96152	2.2
135.08191	3.7
142.02734	3.1
161.09758	2.8
163.11281	25.6
175.03981	4.1
181.12346	8.4
187.09761	3.4
199.59683	2.1
207.10289	100.0
209.11850	13.6
221.06822	3.1
225.11365	53.9
230.09203	2.4
299.15118	2.6
397.13629	8.9
415.21002	3.3
439.73300	2.3
506.18576	2.3
605.25140	2.5
623.26166	4.9
787.33942	8.2
795.34082	10.2
797.46710	3.3
813.35583	38.1
831.37207	26.2
923.05975	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	889.5179
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	9.5
63.35389	1.8
69.69324	1.8
71.01027	2.5
71.01379	20.4
73.02940	1.7
74.14528	1.4
77.38972	1.6
80.02705	1.9
83.05031	2.6
85.02974	3.5
87.00897	3.8
89.02450	15.9
91.88785	1.5
92.10125	2.1
97.02963	2.2
101.02438	16.4
113.02469	7.7
116.92845	21.4
119.03493	3.3
125.02467	7.0
130.12274	1.6
134.89452	1.4
143.03464	1.9
161.04570	2.9
163.11284	3.3
165.12845	3.1
179.05569	2.6
209.11877	100.0
217.83800	1.7
227.12917	10.7
235.08252	3.4
281.24887	67.4
355.12155	2.0
379.12720	7.7
397.13501	42.6
415.14688	7.8
685.31299	1.9
892.18011	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	891.293
Annotation	Unknow
Peak:m/z	Relative Intensity
68.91597	0.2
69.03457	0.6
71.01399	1.6
73.02962	0.6
73.16572	0.2
81.03467	0.5
83.01403	1.3
85.02977	0.5
86.45534	0.2
89.02440	1.0
89.92194	0.2
92.10090	0.7
93.03476	0.3
93.36108	0.2
95.01382	0.3
95.05042	0.4
97.02946	2.4
99.04526	1.3
101.02457	1.2
107.01408	1.1
107.46941	0.2
109.02959	6.4
111.00925	0.5
113.01657	0.3
113.02450	1.7
114.40700	0.3
119.03469	0.6
121.02916	1.1
123.00894	1.4
123.04518	4.0
124.01628	0.4
125.02439	49.5
134.03761	0.5
135.04543	0.4
137.02438	4.8
139.00359	0.3
139.04012	1.1
140.01123	0.5
145.02950	2.0
146.03763	0.4
149.00908	0.6
149.02467	2.2
150.03210	0.5
151.00447	0.4
151.04005	3.6
159.04541	1.0
161.02463	0.4
161.06055	1.9
162.03270	0.3
163.04022	0.4
164.01154	0.6
165.01917	1.9
165.12849	1.4
166.02759	0.3
166.49768	0.3
166.99876	0.5
167.03589	0.4
168.00650	0.6
169.01431	56.6
175.04077	0.4
175.07718	0.5
177.01883	0.5
178.02609	0.3
179.03471	2.1
185.06049	0.4
187.04033	1.4
188.04773	1.1
193.01428	3.6
201.09155	0.3
202.06422	0.4
203.07190	4.3
205.01485	0.3
205.05061	2.1
207.13942	3.5
209.11856	6.5
217.08659	0.3
221.08292	0.6
225.14986	8.8
225.17075	0.5
227.07225	1.0
227.12915	40.8
228.13200	0.3
245.08246	6.0
247.05870	0.4
251.12878	1.3
253.05090	1.2
269.13980	11.3
271.03122	0.4
271.06143	1.7
287.15039	100.0
288.15466	0.6
289.07205	18.9
290.07672	0.4
300.02954	1.1
301.03586	0.4
303.05072	0.6
303.46857	0.3
329.16125	0.6
331.04907	0.3
389.18430	0.6
441.08334	19.4
448.41922	0.3
449.20337	34.3
463.08923	0.4
571.33887	0.3
615.15173	0.3
709.52209	0.3
786.41425	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98856	10.1
64.60175	5.9
85.64311	6.7
89.31920	7.2
90.21724	7.8
92.10049	15.3
93.22849	6.5
97.70177	6.6
116.92888	46.7
159.34210	7.3
180.00517	7.8
209.11815	24.6
221.11018	7.7
291.19690	27.8
307.19226	33.1
309.20792	100.0
325.20364	14.2
545.29620	41.4
835.49036	37.2
853.49500	13.7
889.48102	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	889.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	21.6
73.71915	4.4
86.81583	6.0
94.32464	4.9
102.72101	4.5
109.49522	4.5
116.92834	100.0
179.15041	5.7
197.11844	5.9
209.11810	25.0
222.26671	5.6
282.22641	5.3
289.18085	5.9
304.18903	5.2
304.95554	5.2
307.19153	41.4
309.20676	23.8
325.20349	18.6
350.72934	5.8
368.77560	6.9
397.81799	5.2
468.26239	5.1
543.28448	9.3
569.42096	5.8
646.14874	6.0
835.48376	24.5
853.49432	7.6
886.89526	6.0
889.46948	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	889.4819
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03442	1.1
71.01385	13.3
72.99357	1.1
73.02962	1.9
78.95929	1.3
85.02977	2.9
87.00879	2.7
89.02444	20.9
91.04156	1.0
97.02991	1.7
101.02457	12.7
113.02465	7.3
113.79059	1.3
116.92844	1.4
119.03518	6.0
125.02445	8.8
127.11307	1.4
161.04553	2.8
162.09491	1.2
171.10287	100.0
179.05650	1.3
206.17928	1.3
209.11830	1.6
235.08336	2.9
277.21735	55.6
278.22205	1.6
290.91034	1.2
379.12491	11.9
397.13562	32.7
415.14578	5.4
551.23187	1.9
569.24835	2.5
877.05750	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	885.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98842	7.0
63.86901	1.3
66.04449	1.1
71.01397	15.1
71.05032	1.2
72.02171	1.3
72.53085	1.2
73.02958	3.1
78.95944	1.9
79.69954	1.0
83.01420	1.4
83.05041	6.9
84.02190	1.3
85.02971	6.3
87.00898	2.8
89.02461	8.0
93.32996	1.3
95.01417	1.1
95.05038	7.9
96.96005	16.2
96.96954	1.8
97.02964	2.6
97.06595	15.1
98.03728	1.3
99.00867	13.6
99.08199	1.8
101.02478	7.1
107.05061	5.6
108.02195	1.9
109.02953	2.1
109.06643	2.9
111.08157	2.9
111.21666	1.5
113.02473	6.5
115.62196	1.3
119.03564	1.6
119.05037	1.9
123.04529	2.5
123.08200	5.5
125.02504	1.8
125.06071	25.2
125.09715	16.8
127.07664	6.5
127.11327	7.4
134.03755	6.0
135.08165	2.4
137.09778	1.7
139.07632	12.0
141.09239	9.1
143.03519	1.8
149.06096	3.1
151.07648	2.3
153.09241	19.1
155.10835	6.2
161.04655	3.1
163.11272	11.8
165.09206	2.6
165.12852	6.7
167.46985	1.2
169.08698	21.6
169.12329	3.0
171.10274	67.4
178.10048	2.5
181.12393	2.6
185.11842	13.5
191.10822	5.7
191.14453	2.4
197.11859	17.3
199.13419	2.4
201.11363	84.3
207.10324	8.2
209.11876	100.0
211.13371	1.6
225.11391	11.9
227.12936	3.1
235.08203	5.3
236.10672	1.5
245.19228	6.0
253.09300	23.0
277.18124	1.6
279.19846	2.2
281.08325	1.9
287.16583	7.8
289.18076	19.6
305.17630	27.2
307.19232	79.4
323.18576	1.5
325.20233	23.6
327.21762	2.3
364.00983	1.5
478.62631	1.4
503.21658	1.9
525.27350	2.7
541.26489	6.9
543.28156	15.1
697.38196	4.5
708.54529	1.6
727.39526	6.0
745.40161	2.4
769.40259	1.7
787.41217	5.3
831.44965	2.4
849.46313	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
62.92798	1.7
64.35004	1.5
65.78354	1.4
71.01384	26.7
72.99314	11.7
78.95927	1.8
80.02711	1.6
80.31837	1.7
83.05047	3.9
87.45392	1.8
89.02449	1.9
95.47307	1.7
96.96004	21.3
101.02424	3.1
115.00376	3.8
116.92896	7.3
117.90487	1.5
125.02424	2.5
133.01433	9.1
153.09207	3.0
163.11285	3.4
165.12837	3.7
171.10251	11.3
185.11824	3.0
197.11873	3.9
209.11865	100.0
211.13522	2.1
227.12938	13.1
253.09320	2.5
289.18085	2.9
307.19202	25.2
325.20190	8.5
403.18140	1.6
543.28070	8.8
621.71790	2.2
735.40173	2.9
753.40503	8.5
771.41602	2.6
869.42883	5.8
887.42572	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	887.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	30.6
68.37342	11.4
83.05014	16.3
102.12587	12.9
116.92851	25.6
125.02494	12.0
148.55147	13.6
153.55846	12.5
207.10388	18.8
209.11879	100.0
291.19696	23.4
305.17624	67.8
307.19278	16.7
309.20792	69.9
356.66840	13.8
403.71802	15.9
541.26697	26.0
748.78351	16.4
753.41217	15.9
833.46851	84.9
887.46832	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	96.7
61.99165	4.2
85.02964	7.3
89.02434	3.4
91.25298	2.9
98.66515	3.4
101.02415	6.0
142.86142	3.2
156.37531	3.4
171.10240	30.5
235.08235	7.8
253.09323	7.5
277.21793	100.0
323.59488	3.7
327.21777	45.3
348.99298	3.9
555.74396	4.5
871.95801	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	884.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
78.95918	1.2
87.45642	0.5
92.10796	1.7
98.88374	0.5
111.81872	0.5
380.32114	0.6
409.87549	0.6
607.64551	0.7
884.52551	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5017
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
68.47199	0.8
69.33450	0.7
78.95928	0.7
135.00131	0.8
136.95070	0.8
138.38531	0.7
141.30365	0.7
227.37875	0.8
278.22174	1.3
373.50552	0.8
711.20819	0.9
885.55347	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4862
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98832	0.4
69.03459	0.7
71.01379	13.0
72.99306	0.7
73.02963	1.6
80.02682	1.5
81.03451	2.2
83.01392	1.7
83.05026	6.0
84.02185	1.3
85.02952	3.8
87.00888	3.1
89.02441	13.6
93.46384	0.3
95.01404	1.4
95.05038	0.6
96.90987	0.3
97.02943	2.1
99.00875	0.5
101.02432	10.6
101.03097	0.5
113.02452	5.4
113.46001	0.3
116.19016	0.3
119.03510	3.2
124.01713	0.4
125.02449	4.0
125.06116	0.5
127.04028	0.3
131.03502	0.4
135.08157	1.2
143.03506	1.8
153.10115	0.3
161.04547	1.8
163.11266	5.4
165.12810	2.8
179.05597	1.8
181.12415	0.4
191.10808	1.7
209.11855	100.0
210.12170	1.1
217.07227	0.3
221.06657	1.3
224.97809	0.3
225.36093	0.3
227.12920	8.8
235.08276	3.6
244.84563	0.3
253.09264	0.5
263.07672	0.4
277.21756	41.8
287.07861	1.4
305.08783	1.2
323.09897	0.7
379.12457	4.9
397.13553	26.0
398.14169	0.4
415.14606	7.7
607.26611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03469	0.5
69.48696	0.3
71.01382	17.8
73.02952	4.1
73.03280	0.3
80.02686	0.9
81.03476	2.3
83.01407	2.4
83.05039	5.6
84.02181	0.9
85.02946	5.4
87.00888	3.6
89.02444	18.2
92.10111	0.8
95.01390	1.4
95.05038	0.6
97.02970	2.6
99.00909	0.6
101.02444	13.8
101.03087	0.6
104.73347	0.4
109.06606	0.5
111.04543	0.5
113.02475	7.1
119.03497	3.8
121.03007	0.4
124.01653	0.5
125.02457	6.1
125.06116	0.4
133.05051	0.4
135.08189	1.5
143.03540	1.9
161.04549	2.0
163.11327	5.9
165.12885	3.6
179.05603	2.7
181.12434	0.6
191.10786	0.8
209.11876	100.0
210.12178	0.8
221.06674	1.5
227.12918	9.8
235.08299	4.6
253.09360	0.5
254.68204	0.4
259.20724	0.6
277.21771	56.7
287.07928	0.5
305.08813	0.8
323.09790	0.7
379.12537	6.0
397.13577	36.4
415.14661	7.6
675.34949	0.6
698.30420	0.5
740.61176	0.5
856.47815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01382	95.6
72.99307	1.0
73.02945	1.9
74.58069	0.8
80.02651	1.5
81.03472	2.4
83.01402	4.3
83.05045	6.2
84.02186	1.8
85.02942	7.5
87.00876	1.8
89.02442	17.2
91.97977	0.9
93.03487	1.3
95.01399	1.5
95.05029	1.1
97.02952	9.0
99.00877	4.2
101.02438	15.0
109.06603	16.7
111.00861	1.8
113.02456	10.0
119.03483	4.2
125.02453	7.5
125.09718	2.3
134.33261	1.0
135.08144	2.3
136.05281	1.1
138.63696	1.0
139.03983	1.2
142.02739	2.0
143.03574	1.6
161.04613	1.6
163.11307	19.1
165.12894	2.4
171.10245	10.0
179.05682	2.3
179.10721	1.4
181.12329	5.4
185.11877	1.7
199.09564	1.1
199.13365	1.5
201.11333	7.7
207.10298	53.7
209.11859	100.0
210.12257	1.0
221.06610	1.0
225.11362	33.0
227.12956	9.3
235.08203	3.8
243.12274	1.6
259.15509	1.3
340.26443	1.0
379.12204	1.6
396.16080	1.2
397.13528	21.2
415.14520	10.0
417.22952	5.0
605.24890	2.0
623.25464	7.2
797.35657	4.2
815.36438	7.5
833.38751	12.8
836.89911	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.4706
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98856	14.7
69.09369	2.4
70.55077	2.5
70.72211	2.4
71.01392	25.3
72.28082	2.3
73.02977	5.3
81.03490	3.2
83.05027	3.9
85.02988	4.2
87.00922	4.3
89.02437	20.0
92.10108	5.1
97.02953	18.5
99.00865	3.0
101.02455	21.8
109.06604	27.3
113.02458	13.7
117.04866	3.4
119.03485	3.8
124.19989	2.6
125.02453	6.2
125.27595	2.8
135.08183	3.2
143.03583	2.8
163.11305	22.1
163.31378	2.5
169.81465	2.6
172.37967	3.1
181.12444	3.6
189.08775	2.7
201.11406	11.0
207.10309	100.0
209.11870	14.5
225.11389	44.9
235.08179	3.7
255.23381	10.2
277.21805	48.7
397.13556	30.3
402.17670	2.8
415.14685	5.8
555.90283	2.9
605.25458	3.5
623.25836	10.8
883.47382	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	883.471
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	33.8
71.01388	27.7
85.02963	7.0
89.02468	7.6
95.04995	10.9
97.02930	8.2
97.06584	10.0
101.02448	11.2
108.33861	5.7
123.08192	7.9
125.02444	24.4
125.06136	11.8
125.09724	40.1
127.07587	6.4
139.07674	14.7
151.07629	31.6
153.09193	12.7
155.10738	7.8
171.10292	59.6
177.05595	64.4
185.11861	12.1
197.11786	29.5
199.09746	49.7
201.11328	32.4
207.10248	22.3
209.11914	100.0
211.59158	7.8
225.11353	24.3
253.09323	24.5
274.66730	7.0
277.18179	10.0
285.14902	11.9
289.18228	14.2
303.16132	37.9
305.17627	34.1
307.19293	46.0
321.17136	33.3
325.20337	12.2
378.58347	7.6
443.90167	6.5
483.01758	6.6
534.18896	6.0
536.41937	6.7
542.08954	7.7
543.28070	9.6
557.25946	25.3
647.31970	7.7
725.37561	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	883.5433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	26.3
61.99126	1.9
67.89072	1.1
69.03469	2.5
71.01398	7.7
72.85475	1.0
85.02953	12.8
89.02444	4.7
92.66128	1.2
97.02944	2.1
97.06611	1.5
101.02460	6.8
113.02469	6.1
115.55369	1.2
119.03461	1.6
125.09731	1.5
127.11304	2.2
137.09750	7.0
145.36832	1.3
154.56378	1.2
161.04576	2.1
169.52371	1.3
171.10283	58.0
183.13908	1.4
201.11415	1.5
211.13460	10.6
215.98128	1.1
229.14468	7.1
235.08289	6.8
253.09296	24.1
277.21759	100.0
291.19656	8.2
309.20798	13.8
327.21820	92.7
328.21994	1.5
337.83112	1.4
513.30518	1.5
545.29681	6.3
563.30927	7.2
587.43073	4.8
822.49384	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	6.1
66.14285	2.8
71.01402	21.6
73.02959	5.6
81.39056	3.0
83.01411	3.1
83.05044	4.5
85.02975	4.1
87.00898	3.8
89.02457	27.6
90.66868	3.2
101.02459	22.8
110.11636	3.4
111.08178	5.3
113.02478	6.9
119.03551	5.4
125.02450	7.3
127.11290	5.5
197.11855	25.5
201.11349	66.2
204.59885	3.4
209.11833	89.7
210.51308	3.3
227.13005	6.0
235.08304	5.2
253.09302	6.4
255.20892	6.4
255.23329	100.0
291.19739	13.8
293.21243	41.3
309.20905	32.9
379.12326	4.0
397.13480	49.7
415.14612	14.2
653.37811	4.3
837.47382	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	881.5286
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	17.0
70.72464	2.5
71.01395	11.6
76.03394	2.3
89.02439	5.6
101.02470	4.8
108.46698	2.5
111.08156	11.8
113.02436	10.5
116.43520	2.3
146.52768	2.8
163.85300	2.4
169.12314	6.4
195.13925	12.4
197.11884	52.8
199.13446	2.7
209.11792	12.1
211.13362	5.9
223.13374	4.8
233.43773	2.4
246.32999	2.9
253.09302	26.4
255.23393	11.9
263.20178	4.4
275.20239	3.6
291.19702	17.6
293.21271	100.0
309.20752	60.1
331.70520	3.1
397.13251	3.4
461.75360	3.3
545.21173	2.7
587.78876	3.0
818.05090	3.1
904.90613	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	882.4859
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
71.27500	2.6
78.95880	3.0
79.64775	2.4
156.57091	2.6
167.86426	3.2
196.46265	2.6
277.21667	3.0
471.22937	3.8
569.33160	3.3
709.40430	3.9
882.50287	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	883.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02415	0.4
65.00331	4.1
83.01387	1.7
107.01395	7.8
108.02211	1.7
109.02953	2.4
121.02960	2.6
123.04546	2.0
124.01727	0.6
125.02457	5.4
135.00899	2.0
135.04529	4.8
137.02509	0.7
148.01698	1.8
149.02448	2.7
150.03242	2.0
151.00388	28.7
151.03983	4.4
152.01202	3.4
153.01939	2.4
154.01476	1.1
163.00377	2.9
164.01152	0.5
165.01949	17.1
169.01447	1.8
175.03969	0.8
177.01973	1.8
178.99869	9.5
199.03993	1.0
201.05554	0.5
211.03969	0.6
215.03448	0.5
219.10564	0.4
226.02693	0.9
227.03575	2.3
227.07111	0.5
229.05106	0.9
233.18176	0.5
243.03014	8.3
243.16469	0.5
245.04535	1.1
254.02182	2.6
255.03004	25.6
256.03552	0.6
268.05020	0.5
271.02527	50.9
271.06091	10.5
272.03043	1.7
273.04184	1.7
285.04099	8.6
286.04242	0.5
299.02029	0.8
300.02805	100.0
301.03583	47.7
302.03995	0.5
303.05182	3.6
433.07574	77.3
434.08041	0.8
449.10989	8.3
450.11310	0.6
608.63776	0.5
771.41119	0.6
798.30792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
63.02423	1.0
64.34516	0.9
65.00313	1.5
66.40997	0.8
71.20036	0.8
71.68054	0.9
72.08241	0.9
78.61240	0.8
79.10677	0.9
83.01389	1.2
87.00923	1.2
89.25922	0.9
91.26021	0.9
100.47014	0.8
107.01383	4.8
109.02969	1.5
121.02966	3.9
123.00890	1.0
124.01622	1.1
125.02431	9.7
137.02461	1.2
148.01686	1.2
151.00365	24.7
152.01181	12.5
163.00381	2.1
165.01999	1.0
169.01389	1.8
175.04002	1.3
178.99858	19.2
199.03970	1.1
215.03409	1.2
227.03514	8.0
243.03047	10.2
245.04587	3.9
254.02213	1.8
255.03017	31.2
256.03644	1.2
259.06143	2.2
269.04584	5.0
271.02499	51.8
272.03079	1.6
273.04007	2.1
283.02554	1.9
284.03241	5.2
285.04037	18.4
287.05655	1.4
299.01877	1.3
300.02798	95.1
301.03555	68.4
433.11459	9.1
447.09412	100.0
448.09570	1.9
536.48126	1.1
784.06720	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	881.4037
Annotation	Unknow
Peak:m/z	Relative Intensity
61.17873	3.1
62.92273	3.1
71.01395	24.7
82.24343	3.9
85.02977	5.6
89.02461	18.3
101.02460	8.4
113.02486	8.3
124.32861	4.3
125.02448	8.0
148.29887	3.7
161.09665	4.6
197.11838	100.0
209.11899	91.3
216.80455	5.2
262.82053	4.0
397.13275	4.4
401.74997	4.0
699.03149	5.2
707.34021	5.0
785.55042	5.2
849.37341	71.0
881.39740	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	5.1
66.65238	2.3
71.01395	27.6
72.51450	2.4
73.02931	4.3
76.58010	3.1
76.96297	3.2
78.95957	3.1
81.03439	3.2
85.02947	5.3
87.00903	5.8
89.02436	35.4
92.66194	2.7
100.62030	2.6
101.02446	23.5
113.02470	17.8
119.03487	5.8
125.02433	6.1
143.03488	3.2
152.99539	3.0
161.04546	3.0
163.11284	4.3
165.12932	3.8
171.10191	3.2
179.05556	4.1
195.13890	10.9
197.11862	22.3
201.11359	73.2
209.11871	100.0
223.13466	3.6
227.13083	8.0
235.08171	10.6
253.09319	20.7
255.23329	94.6
275.20322	4.7
291.19656	34.5
293.21259	78.2
309.20776	64.0
376.04300	3.6
379.12421	17.0
397.13528	62.6
415.14627	10.5
480.98468	3.9
653.37604	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	881.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	0.9
81.03446	1.9
83.01405	6.0
93.03412	1.3
97.02975	4.7
107.01440	1.2
108.02169	1.0
109.02957	19.2
117.03457	1.6
121.02958	4.3
123.00908	2.1
123.04523	9.7
125.02444	100.0
126.99683	1.2
133.02887	4.2
135.04530	4.7
137.02469	17.4
145.02995	11.1
147.04620	1.6
149.02477	5.8
151.00403	2.7
151.04016	12.6
159.04553	8.6
161.02458	26.9
161.06116	4.4
162.03253	1.1
163.00406	1.9
163.04005	7.2
164.01140	2.1
165.01907	2.4
169.01454	25.2
175.03999	11.2
177.01955	10.9
179.03401	1.6
183.04488	2.8
185.06149	2.3
187.03998	10.0
188.04744	1.5
189.01945	1.3
192.32051	1.4
193.01410	2.0
197.06145	2.5
199.03915	4.0
199.07419	1.3
201.01913	2.7
201.05600	6.9
203.07133	7.2
205.05043	5.2
211.04007	1.9
213.05536	2.6
217.05042	7.1
220.47522	1.1
224.04800	1.3
225.05621	4.8
227.03490	5.7
227.07079	4.4
229.05093	7.1
231.03069	2.0
231.06664	1.7
233.73589	1.1
241.05042	1.2
243.02959	9.0
243.06635	1.8
245.04539	6.6
245.08154	6.5
247.05894	1.3
253.05092	1.8
255.02991	13.0
256.03732	5.2
257.04556	4.5
259.06104	1.8
269.04614	29.2
271.06000	9.1
281.04504	6.8
283.02893	1.4
283.06116	1.5
285.04092	6.6
287.05594	7.9
289.07217	28.9
297.04062	2.0
299.05688	1.7
303.05164	5.0
321.07736	2.0
351.08853	1.4
373.16248	1.1
389.06790	2.2
407.07785	51.4
419.07587	3.9
433.09390	5.9
441.08160	5.1
451.10229	4.8
541.11707	8.8
559.12933	12.4
577.11670	2.0
632.18573	1.2
674.26862	1.2
711.13562	5.1
722.46393	1.5
729.14880	17.3
881.15485	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	881.1944
Annotation	Unknow
Peak:m/z	Relative Intensity
79.85097	1.1
81.03470	1.5
83.01411	2.8
93.03471	2.9
93.45403	1.4
107.05055	2.1
109.02975	15.0
121.03004	6.0
123.04518	9.0
125.02449	100.0
133.02989	7.9
135.04568	2.2
137.02435	16.3
139.04034	1.4
143.89056	1.2
145.03006	1.9
149.02473	7.2
151.04031	17.8
159.04510	1.5
161.02480	19.6
161.06091	1.7
163.00429	2.3
163.04042	5.8
164.01213	2.5
165.01958	4.9
167.03442	2.5
175.04027	25.0
175.07669	1.4
177.01941	60.0
177.05528	1.6
179.03493	1.7
187.04062	5.4
189.01930	2.1
199.04089	7.3
201.05696	1.5
203.03523	1.8
203.07140	5.7
205.01530	1.4
205.05095	6.1
211.04105	1.3
217.05087	13.0
219.02985	5.3
227.03639	2.7
227.07208	1.6
229.05118	1.6
241.05052	1.5
243.03004	38.9
245.04579	3.0
245.08247	6.0
255.02979	8.3
256.03723	2.8
257.04648	1.3
261.04089	10.9
269.04602	2.2
281.04535	2.5
282.01880	1.6
283.02524	2.3
285.04138	1.7
285.81607	1.3
287.05621	7.8
289.07220	15.4
299.05524	2.8
303.05038	9.6
339.08878	2.0
360.49615	1.4
363.04568	1.3
387.05185	2.6
391.04901	1.9
405.06281	3.1
407.07736	13.1
423.07272	2.7
425.08975	6.3
451.10666	2.7
452.31015	1.2
465.08517	2.3
492.77631	1.3
514.84668	1.5
525.08398	2.4
543.09534	3.0
577.13446	6.0
591.11530	1.8
618.36676	1.5
695.14380	7.5
807.45490	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	881.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
65.92136	0.8
67.95763	0.7
69.03466	0.9
79.77211	0.8
83.01407	3.4
93.03507	1.0
97.02975	1.9
107.01396	1.0
109.02966	17.1
121.02945	3.7
123.00864	2.0
123.04530	8.1
125.02448	100.0
131.05019	1.0
133.02948	5.1
135.04510	3.4
137.02443	11.1
139.04050	0.9
145.02951	4.1
149.02464	4.7
151.04008	9.8
159.04506	7.5
161.02458	28.5
161.06075	4.2
162.03116	1.3
163.00375	1.7
163.04015	4.4
164.01157	6.1
165.01921	3.3
169.01440	17.9
173.06009	1.3
175.03993	9.8
177.01961	9.2
177.05652	1.0
179.03505	1.8
183.04596	1.7
185.06123	1.8
187.04005	8.6
188.04843	1.6
193.01404	1.7
196.05258	1.0
197.06091	1.1
199.03978	5.1
201.05603	4.1
203.03581	1.6
203.07167	5.5
205.05038	4.3
211.04077	1.3
215.03325	1.3
217.05093	2.0
219.03088	1.4
225.05588	4.3
227.03508	3.8
227.07208	1.8
229.04959	3.7
231.02905	1.2
239.07098	0.9
241.04985	1.3
243.02980	6.2
243.06572	1.7
245.04564	5.1
245.08188	6.0
253.04909	3.2
255.03026	8.6
256.03900	4.4
257.04614	4.0
267.03189	1.1
269.04568	27.0
271.06186	9.9
273.04053	1.0
281.04626	5.2
285.04126	5.7
287.05725	9.4
289.04340	1.3
289.07251	23.5
293.04575	1.3
297.04083	1.8
300.02698	1.2
303.05121	1.3
311.05692	1.4
321.07831	1.5
339.08612	1.7
351.09021	1.1
363.08670	1.9
389.06836	3.3
395.07462	0.9
407.07755	37.9
425.09253	1.2
431.07803	1.1
433.09555	6.2
437.09128	1.1
441.08325	4.2
449.09106	1.3
451.10538	3.2
497.13495	1.2
535.04492	0.9
541.11804	6.0
559.12830	11.8
577.13763	6.1
603.11292	1.3
711.13232	1.6
729.14783	14.0
760.22546	0.9
794.95490	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
61.09079	2.0
61.19003	2.0
65.19174	2.3
69.17100	2.1
71.01373	23.4
77.29276	2.4
79.44515	2.1
82.70450	2.5
83.13663	2.3
85.02967	5.4
87.00902	2.9
89.02452	29.2
97.02949	2.2
98.58074	2.1
100.83505	2.1
101.02444	20.8
111.04478	2.4
113.02476	14.0
119.03496	4.5
125.02449	13.1
141.42624	2.6
161.04559	4.2
171.10298	91.6
180.47549	2.2
207.10289	11.7
225.11363	25.3
235.08298	3.3
255.23340	100.0
291.19812	3.2
328.86383	2.5
379.12518	19.2
397.13599	52.4
415.14865	5.4
441.17841	2.7
635.36163	5.3
663.80322	2.7
861.47754	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	879.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60847	2.5
68.71215	3.2
70.48724	2.7
71.01395	12.3
72.67678	3.0
89.02468	5.5
99.29337	3.0
101.02462	5.9
119.03434	3.5
134.32294	2.8
152.86285	3.4
163.11288	5.0
171.10289	6.9
185.11787	3.6
191.14534	3.5
195.13918	7.3
209.11845	19.3
223.13489	12.0
225.11375	5.1
237.11349	3.7
245.19116	14.6
253.09326	20.0
255.23393	16.1
263.20212	4.6
275.20313	12.5
289.18152	53.1
291.19653	15.4
293.21277	100.0
307.19168	52.2
309.20801	5.3
676.23944	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	881.158
Annotation	Unknow
Peak:m/z	Relative Intensity
75.55583	0.9
83.01402	5.8
92.10687	1.5
93.03439	1.1
96.96075	1.0
97.02948	1.5
107.05075	0.8
109.02969	15.6
112.21543	1.0
117.03455	1.1
121.02966	2.0
122.61462	0.9
122.92552	1.0
123.04494	8.5
125.02447	100.0
126.02750	1.4
131.05022	1.2
133.02888	3.5
135.04517	4.8
137.02463	20.1
139.04050	1.8
145.02980	5.0
149.00926	5.8
149.02443	4.9
151.00374	1.3
151.04051	11.2
159.04512	4.6
161.01244	1.8
161.02452	24.2
161.06050	5.1
162.02983	1.2
163.00377	2.0
163.03979	4.0
164.01137	4.2
165.01903	5.4
167.03494	1.8
169.01410	20.0
173.05998	1.0
174.03142	1.0
175.03990	12.3
177.01918	11.9
177.05573	0.9
179.03516	1.7
180.91179	1.0
183.04587	1.3
185.06059	2.2
187.04021	6.3
188.04907	3.2
193.01430	1.3
199.04012	1.9
201.05600	2.4
203.03513	1.6
203.07127	9.0
205.01419	1.2
205.05057	4.4
211.04051	1.7
213.01855	1.1
215.03423	1.8
217.05061	4.2
219.02960	1.4
225.05568	1.2
227.03639	1.7
227.07283	1.2
228.04248	1.5
229.05005	2.4
231.02992	1.1
241.04935	0.9
243.02950	11.8
245.04472	6.9
245.08223	10.4
253.05096	4.0
255.03018	12.4
256.03821	2.4
257.04510	1.5
269.04617	8.1
271.06149	7.0
273.04169	1.1
281.04596	1.4
283.02545	2.4
285.04044	5.2
287.05630	6.0
289.07233	41.3
297.04196	1.8
303.05209	1.3
311.05496	1.0
319.55334	1.1
330.08875	1.0
339.08777	1.5
389.06577	1.7
407.07742	47.5
408.07828	1.5
425.08740	1.5
433.09564	1.5
441.08298	7.8
451.10275	5.4
559.09558	4.9
577.13196	4.7
587.26385	1.1
603.11450	1.7
729.14496	23.0
864.77698	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4813
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.7
69.03475	4.3
71.01379	11.9
78.31047	0.9
83.01403	2.0
85.02972	4.3
87.00883	1.3
88.40456	1.1
89.02451	12.8
97.02930	1.1
98.12445	1.0
99.00842	1.3
101.02450	13.4
103.22565	1.1
106.90894	1.2
113.02455	6.5
119.03485	3.6
121.02969	1.4
125.02455	1.7
125.09725	1.8
141.33868	1.0
151.11287	2.5
161.04559	1.0
161.09697	4.3
179.10817	8.2
197.11848	50.0
205.08612	1.3
221.06673	1.3
238.02258	1.0
238.46809	1.1
241.10873	1.9
255.23326	69.6
278.09592	1.2
329.44473	1.2
397.13458	1.2
771.98291	1.3
817.02643	1.3
877.48181	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	879.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	14.5
73.02956	1.9
81.03468	1.6
83.05034	2.3
85.02957	5.4
87.00887	1.6
88.98846	1.5
89.02464	16.0
89.61123	1.0
95.01392	1.6
97.02967	4.7
101.02462	13.2
106.62319	1.4
113.02477	6.4
119.03522	5.9
125.02455	6.1
126.59106	1.2
143.03444	1.6
143.68027	1.4
161.04564	2.1
163.11287	6.3
165.12819	2.8
166.58304	1.1
171.33990	1.1
183.13937	4.8
185.04610	1.3
199.19894	1.3
203.03792	1.3
209.11867	100.0
211.13438	73.9
227.12953	10.0
235.08264	4.1
265.47528	1.3
285.99646	1.4
379.12723	4.4
397.13562	35.4
415.14667	7.3
444.45151	1.3
453.81641	1.3
575.26715	1.4
589.25323	1.4
591.26221	2.3
609.27686	5.2
630.76813	1.3
728.42554	1.5
883.32874	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4248
Annotation	Unknow
Peak:m/z	Relative Intensity
61.55595	0.5
61.67187	0.5
69.03458	0.9
71.01385	12.5
72.99332	1.0
73.02944	2.1
74.94533	0.5
80.47926	0.5
81.03465	2.6
83.01405	1.0
83.05037	5.1
84.02193	0.9
85.02507	0.5
85.02969	3.4
87.00893	2.8
89.02450	16.0
95.05035	1.0
96.53384	0.5
97.02962	1.2
99.00917	0.7
101.02448	11.1
111.00872	0.6
113.02443	5.9
118.37518	0.5
119.03485	2.1
119.56761	0.6
125.02415	5.2
140.48373	0.6
143.03476	2.2
161.04684	1.8
163.11292	5.9
165.12883	2.5
167.37848	0.7
179.05585	2.5
183.13852	5.4
191.10805	0.8
193.12349	0.9
207.10303	0.8
209.11879	100.0
210.12209	0.6
211.13446	61.7
217.07222	0.7
221.06584	0.8
225.11313	0.5
227.12921	8.3
235.08310	3.8
264.49908	0.6
305.08566	0.6
339.38690	0.6
342.15488	0.6
355.36340	0.6
379.12531	5.9
397.13614	28.1
415.14667	6.3
586.63501	0.7
589.25586	1.3
591.26874	2.1
607.25916	2.4
609.27728	3.2
777.23724	0.7
801.40100	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	879.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
62.72313	3.0
71.01394	18.4
89.02455	15.4
92.10851	10.2
97.06593	3.1
99.00898	17.7
101.02448	14.9
113.02430	5.1
125.02348	3.5
125.09752	6.3
132.51822	3.1
155.77312	3.2
163.11285	18.7
171.10277	14.9
181.12363	20.2
199.13368	6.2
207.10330	27.9
225.11386	31.4
243.12424	7.2
255.23325	60.6
291.19702	16.6
301.52457	3.5
309.20712	7.4
340.71579	4.0
347.62286	3.7
397.13644	15.4
401.33743	3.2
438.41415	3.2
879.49872	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	877.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
64.85456	1.9
71.01387	12.8
78.95901	2.4
85.02969	2.5
87.00894	3.6
88.98806	100.0
89.02429	16.3
96.83678	2.3
97.02954	4.3
101.02431	5.0
109.06605	14.8
113.02474	3.0
114.39425	2.2
125.02460	9.8
163.11220	5.6
181.12329	3.4
183.13943	3.4
207.10312	44.5
209.11873	4.1
211.13460	37.2
225.11375	21.9
256.31857	2.7
264.40369	2.5
332.77655	2.6
397.13583	9.0
401.23306	2.7
610.73676	2.5
643.08881	2.3
749.81366	2.6
799.37946	15.8
817.38672	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	873.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98847	34.5
79.61900	4.6
113.93137	4.5
116.92118	6.9
116.92858	41.4
163.11249	5.6
169.08775	5.9
171.10321	6.2
209.11795	16.8
272.43823	5.2
277.21750	100.0
305.17621	26.5
598.66431	5.9
612.42853	5.4
750.42535	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	873.4787
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98846	6.1
71.10417	4.8
71.50796	5.4
73.38879	5.3
92.10752	11.9
102.49004	5.3
109.25433	5.2
116.39611	5.5
116.92873	46.9
126.32503	6.1
192.68239	5.9
197.11794	7.8
253.09276	7.0
291.19638	47.9
309.20697	100.0
353.08768	6.0
545.29779	13.5
837.49609	21.5
873.47571	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	873.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
61.72115	10.9
61.98836	65.9
78.95889	13.8
84.38171	11.0
94.13751	9.9
105.78424	10.7
116.92828	77.3
211.13446	14.8
221.71387	12.4
223.13463	11.8
243.69055	12.1
291.19754	91.8
309.20752	100.0
430.26892	10.8
545.29901	23.3
837.50153	25.6
873.47504	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	873.5154
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98829	100.0
66.70760	5.9
67.57684	5.8
70.77014	9.0
76.40292	6.7
92.10146	9.2
100.17564	7.4
116.92892	49.1
182.70757	8.1
262.55737	8.7
277.21851	11.8
891.99518	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	877.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01380	24.2
71.36317	2.0
75.29382	2.3
83.05065	5.4
84.02195	2.6
85.02992	10.1
88.98819	12.4
89.02458	24.8
90.82536	2.0
97.02991	8.8
101.02459	16.5
109.06607	11.3
113.02466	12.3
121.03044	2.8
125.02467	10.8
125.09716	4.5
135.08183	4.2
151.04050	2.2
163.11337	16.6
171.10347	4.4
179.12198	2.2
181.12354	3.6
183.13826	3.3
207.10310	51.8
209.11868	100.0
211.13425	39.9
225.11372	32.2
273.17145	32.0
307.19250	15.1
315.34415	2.3
379.12460	3.7
397.13678	29.5
415.14426	3.8
530.50928	2.7
771.38629	3.5
799.37262	21.1
817.38696	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	871.4638
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	11.2
116.92867	11.8
157.11975	10.3
209.11789	35.7
217.14870	10.7
218.36594	9.9
253.09233	13.4
293.21173	86.7
305.17593	17.1
323.18738	13.6
581.38446	10.7
588.86011	11.3
817.47467	100.0
835.48737	21.2
871.46356	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
61.75798	16.8
64.95863	14.6
71.01401	18.0
78.95913	15.5
82.71802	16.9
92.10799	16.7
99.01894	17.4
101.02473	18.7
116.92875	82.9
125.02443	35.4
127.20381	15.1
143.24469	17.2
266.94208	15.0
288.00482	19.2
289.18082	37.6
291.19623	40.3
307.19327	33.8
309.20764	100.0
424.83990	18.5
871.46490	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4691
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98828	1.5
71.01383	10.8
73.02949	1.6
83.04984	1.5
89.02443	18.3
101.02443	12.3
113.02434	5.6
116.92867	5.7
119.03493	1.8
125.02502	2.0
132.28404	1.4
141.62756	1.3
151.11322	15.3
161.04605	2.6
169.12341	78.1
195.10269	2.3
213.11304	9.4
217.59096	1.4
221.06691	2.5
221.55092	1.5
234.41853	1.4
252.12025	1.3
277.21765	20.4
291.19617	2.1
306.18039	1.4
349.56458	1.5
503.74341	2.0
611.25079	2.1
677.13013	1.7
871.46954	100.0
872.46906	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	873.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	7.2
72.99305	0.5
73.02948	2.8
79.53580	0.3
81.03508	0.3
83.01410	2.4
85.02971	3.9
86.00130	0.4
87.00920	0.6
89.02457	3.9
96.95981	0.5
97.89812	0.3
99.00871	1.2
101.02455	8.3
109.02972	0.8
111.00874	0.4
113.02459	3.3
119.03503	1.7
123.00903	0.4
123.04518	0.4
125.02464	7.4
135.04514	0.7
137.02412	0.5
144.81158	0.3
159.03030	0.5
161.02484	0.8
169.01462	4.2
175.04027	0.3
177.02029	0.6
217.05093	0.4
221.04463	0.3
227.12959	0.7
243.03062	0.8
245.04437	0.4
286.28018	0.3
296.37280	0.3
329.16058	0.4
337.75732	0.4
371.17319	1.3
389.18246	100.0
390.18665	1.4
753.02258	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
61.92699	1.0
61.98839	3.0
62.16877	1.2
62.90369	1.1
71.01389	32.6
72.99312	13.4
74.17615	1.1
78.43462	1.5
80.02715	1.5
82.95444	1.1
83.05053	7.6
85.02989	2.3
88.97074	1.4
89.02433	2.0
95.05071	1.3
97.06551	1.5
101.02459	6.9
115.00397	15.4
123.04588	1.3
125.02556	2.2
125.09726	3.2
127.07619	2.2
133.01447	12.1
153.09245	5.1
154.09692	1.5
161.04546	1.9
163.11288	3.1
167.83215	1.2
171.10262	9.4
172.10529	2.0
181.12308	1.9
185.11952	1.9
197.11894	1.8
209.11868	100.0
210.12195	7.7
211.13365	8.6
227.12952	10.2
235.08171	1.5
239.12663	1.5
242.88036	1.3
253.09236	7.0
263.20303	1.5
289.18073	4.9
290.18210	1.4
291.19662	18.6
307.19162	15.7
308.19482	12.3
309.20752	37.0
325.20261	5.5
326.20554	7.0
327.21216	1.7
349.98441	1.4
350.03580	1.2
359.10236	1.7
363.42761	1.4
543.28296	2.3
545.29669	8.6
545.72998	1.4
737.41785	6.6
755.42029	2.8
853.43146	7.7
871.43036	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	871.4557
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	29.0
72.99328	0.7
83.01407	1.3
85.02940	6.2
87.00874	1.1
89.02447	50.5
89.67740	0.6
95.01398	1.1
96.86739	0.6
99.00917	0.7
101.02452	17.7
103.24841	0.7
113.02442	14.4
119.03513	19.3
125.02471	5.7
131.03491	1.3
131.49126	0.7
143.03522	1.7
149.04568	1.5
151.00400	1.2
152.46436	0.8
161.04568	6.5
167.10779	2.8
175.03966	0.7
177.01898	1.0
179.05614	17.1
285.04080	2.8
303.05157	1.7
366.64417	0.8
389.23737	0.7
405.21350	61.9
406.21371	0.8
449.20471	5.4
465.23486	100.0
466.23386	1.1
514.04950	0.9
587.05054	0.8
727.87738	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98831	11.2
71.01385	58.2
74.61054	4.8
78.50240	5.2
80.20278	4.8
85.02943	6.1
87.00858	8.0
89.02456	29.2
92.52165	4.6
92.66335	6.3
97.02939	7.2
99.97340	4.8
101.02447	29.7
108.02187	6.2
109.06603	23.5
113.02480	5.9
116.54138	4.7
119.03497	7.8
125.02409	19.7
134.03761	38.6
145.09628	5.5
149.06084	32.3
152.01895	6.2
163.11278	22.9
179.05560	6.0
183.13844	25.5
207.10303	93.2
209.11862	32.9
211.13417	100.0
225.11464	48.6
238.06325	7.2
238.48723	5.9
251.07095	6.7
269.08292	6.8
281.08298	20.7
295.09933	10.3
311.09152	7.4
391.24677	6.8
397.13422	33.2
415.14667	23.1
431.14948	29.2
605.24176	11.0
799.37628	11.8
817.38812	55.5
845.99243	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	871.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	7.0
62.21774	3.8
63.64650	4.2
68.12368	4.4
71.01374	46.2
72.99313	5.5
79.41189	4.3
81.03493	5.6
83.03963	4.6
83.05056	8.1
85.02957	5.1
87.00884	7.7
88.42012	4.2
89.02473	29.9
91.97223	4.9
97.02954	9.8
101.02480	20.3
109.06600	33.0
113.02464	21.9
119.03522	5.8
121.06628	5.6
125.02457	18.5
134.03772	5.8
161.04506	4.3
163.11267	33.2
163.67586	4.8
171.10175	5.0
179.05679	17.1
183.13940	27.1
189.80995	4.6
207.10294	100.0
209.11824	54.0
211.11617	6.6
211.13464	75.7
225.11337	56.1
227.12834	8.3
330.72836	5.9
391.25137	8.0
397.13620	35.0
414.79657	5.1
415.14441	9.4
623.25739	21.2
771.38641	5.9
799.37494	22.1
809.39337	5.3
817.39056	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	871.4344
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	5.5
62.34491	0.8
69.02677	0.8
71.01383	31.6
72.99316	10.1
78.98705	1.0
81.03467	0.9
82.95439	4.8
83.05048	3.8
85.02924	1.3
87.00883	1.3
89.02451	4.5
93.81870	0.8
96.96011	1.6
101.02444	5.2
112.44495	0.8
113.02443	1.4
114.93401	2.0
115.00388	9.6
125.02515	0.9
133.01425	1.9
142.19044	0.8
151.11302	1.3
153.12892	3.4
161.04622	1.5
161.94058	0.8
163.11282	5.9
165.12842	2.0
171.10400	0.9
181.12321	1.1
191.10725	1.2
207.13919	1.5
209.11871	100.0
210.12216	1.0
227.12895	12.7
228.13303	1.0
235.08226	3.5
247.20744	1.9
253.09361	8.3
273.18768	1.3
291.19708	23.1
309.20776	57.6
323.71280	1.2
527.28564	1.4
545.29865	11.6
737.41376	8.2
755.42383	4.8
840.93896	1.1
853.42242	5.1
871.42761	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	869.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	11.7
61.99113	1.2
62.37333	1.3
67.13995	1.1
71.01392	18.7
72.02173	10.0
73.02957	6.3
80.58526	1.3
81.03475	2.1
83.01426	1.5
83.05048	2.9
84.02176	6.6
85.02961	3.0
87.00870	2.5
87.10377	1.3
89.02463	8.0
92.10117	5.5
95.05023	5.4
96.96005	2.0
97.02947	3.2
97.06593	30.4
99.00884	21.3
99.26264	1.4
100.91148	1.4
101.02443	11.9
107.05027	8.9
109.02974	1.5
109.06683	1.5
109.76317	1.3
110.03802	2.0
111.00863	1.4
111.08167	1.7
113.02486	3.2
116.92838	2.2
119.03513	2.2
121.02958	2.0
123.04543	1.6
123.08157	3.1
125.02434	8.8
125.06084	62.6
125.09748	13.3
127.11287	6.2
135.08136	3.2
137.09731	3.1
138.35878	1.4
139.07674	7.1
141.09238	17.1
144.76947	1.5
151.07623	2.5
151.11237	2.3
153.09222	13.2
155.10918	2.5
161.04475	2.5
163.11273	15.0
165.12901	12.0
169.08713	54.3
171.10274	57.3
177.12755	1.5
179.14444	2.8
181.12323	9.8
185.11882	5.8
191.10776	1.8
197.11856	12.9
199.09811	2.9
199.13406	8.5
201.11348	64.5
207.10368	18.6
209.09903	2.0
209.11841	60.2
223.13525	2.2
225.11383	32.2
225.94322	1.5
235.08127	2.0
243.12372	5.8
247.20662	11.0
253.09222	20.3
263.20148	2.5
273.18488	2.5
279.19583	1.9
287.16473	6.4
289.18185	6.7
291.16522	2.9
291.19690	85.3
305.17627	27.4
307.19162	25.8
309.20752	100.0
310.21442	1.8
323.18576	1.9
325.20218	4.8
341.23242	5.9
379.21741	1.4
461.20410	2.3
479.21649	3.3
541.26428	6.0
543.28137	5.9
623.81610	1.6
753.40643	2.9
766.07764	1.8
771.41998	15.0
833.46790	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	869.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	19.0
70.13800	4.0
71.01405	10.9
71.25060	4.2
80.91698	5.8
83.05037	6.2
85.02961	4.1
89.02449	8.4
92.10214	5.3
97.06594	25.3
99.00906	24.2
100.25626	5.5
111.08241	5.8
116.92857	55.0
123.00965	4.8
123.08219	4.6
124.98393	4.9
125.02457	18.9
125.06090	53.9
125.09743	5.2
139.07675	6.2
141.09241	5.3
149.06068	5.0
153.09219	8.5
163.11235	9.5
169.08740	38.7
171.10304	43.2
181.12355	8.0
185.11868	10.3
197.11858	28.5
199.13397	6.9
201.11368	28.9
207.10284	19.2
209.11839	52.6
211.13455	5.0
225.11319	9.6
227.12892	10.5
229.14478	22.2
243.12392	5.6
244.61729	4.4
247.20592	5.7
253.09319	19.7
261.18466	5.7
280.91446	5.7
289.18024	7.3
291.19720	43.5
305.17648	24.2
307.19064	24.1
309.20862	100.0
341.23285	22.7
545.30151	18.5
616.92407	4.8
771.19794	5.5
771.42114	10.2
833.44934	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	868.5077
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
70.20925	0.6
71.42374	0.5
71.64040	0.7
74.23540	0.6
79.88957	0.7
90.90827	0.5
101.80127	0.7
130.72498	0.7
258.13678	0.7
288.21457	0.6
293.21219	2.7
294.21680	3.1
295.21844	0.9
314.78479	0.7
483.30267	0.7
622.30151	0.8
697.59595	0.8
843.37769	0.9
894.29327	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4918
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	5.5
64.35158	0.7
69.03513	0.8
71.01388	10.1
71.05028	1.4
72.99313	1.0
73.02959	1.4
78.16224	0.6
80.02710	1.3
81.03483	1.1
82.95425	1.1
83.05045	6.6
84.02192	1.6
84.68938	0.6
85.02971	4.4
87.00901	3.1
89.02456	7.0
93.03485	0.9
95.05044	1.5
96.96030	1.3
97.02963	1.0
97.06607	3.3
99.00900	0.6
99.04510	1.5
99.08172	2.9
101.02448	9.6
108.02200	0.9
109.06611	2.4
111.08152	0.8
112.05321	1.0
113.02493	4.6
113.09682	0.9
115.07680	3.4
119.03509	1.0
119.05009	0.8
121.02979	1.4
123.04514	2.5
123.08192	2.7
125.02479	0.9
125.06074	0.9
125.09737	8.4
127.07660	8.9
127.11360	0.8
134.03740	2.9
135.04483	1.3
135.08148	4.0
137.02444	0.6
137.09726	1.1
139.04057	0.7
139.07675	2.3
141.09227	1.5
145.05016	0.6
149.06064	1.6
151.11240	0.7
153.09244	20.2
155.10803	4.0
161.04568	2.8
163.07661	0.7
163.11317	9.0
165.12949	5.0
169.12337	1.3
171.10291	31.7
178.09999	5.3
181.12344	1.2
185.11861	13.2
191.10870	5.3
191.14465	2.6
197.10156	1.0
197.11900	17.1
201.11401	0.8
207.10339	1.4
209.11879	100.0
211.13359	2.4
214.11533	0.6
217.16017	0.8
219.13972	1.4
221.11887	1.4
223.13498	0.8
235.08290	3.3
236.10620	1.4
238.12105	3.1
245.19113	6.9
251.16393	1.0
253.09312	11.4
263.20139	1.5
265.18225	1.1
271.17319	0.8
277.97626	0.6
279.19638	2.7
281.21283	0.7
281.93546	0.7
282.01303	0.7
289.18143	26.9
297.20779	1.5
305.17667	1.4
307.19214	96.8
308.19437	1.1
309.20630	2.8
325.20261	35.4
327.21661	0.9
361.24133	0.8
433.12781	1.0
474.21112	0.9
525.27075	3.8
543.28253	24.7
561.29095	4.2
697.37537	2.8
723.39563	0.8
764.39856	4.2
782.41199	3.9
833.46960	7.4
851.48010	9.5
869.48419	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	867.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01378	16.6
72.48593	1.6
73.02940	1.9
78.95919	2.5
80.96517	2.1
82.96080	1.5
83.01406	1.8
85.02963	2.8
87.00890	2.6
89.02453	17.3
97.02976	1.7
101.02422	15.9
101.02990	1.5
107.81461	1.6
113.02454	11.5
119.03502	3.6
125.02424	9.5
127.11300	2.0
159.81525	1.6
161.04486	3.5
171.10275	100.0
179.05531	3.1
235.08247	7.6
255.23315	84.8
318.23215	1.7
379.12534	18.7
397.13507	42.6
415.14551	7.2
487.57800	1.5
512.46259	1.6
551.23694	3.0
566.34344	1.7
635.37061	3.5
653.38165	7.0
792.54803	2.5
793.54749	6.2
867.50635	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	867.4246
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03464	0.4
71.01381	7.2
73.02962	0.8
80.02710	1.4
80.62662	0.2
81.03461	1.5
83.01400	1.2
83.05029	5.1
84.02191	1.1
85.02944	2.1
87.00873	1.6
89.02444	8.9
95.01392	0.3
95.05023	0.5
97.02959	0.9
99.00867	0.3
101.02440	5.7
111.04469	0.2
111.08192	0.2
113.02451	3.3
119.03492	1.7
125.02437	2.1
125.06134	0.4
125.09708	0.3
135.08173	1.2
143.03458	0.8
155.89099	0.2
161.04608	1.7
163.11296	5.7
165.12849	2.5
171.10278	0.3
179.05606	1.6
181.12334	1.0
191.10823	1.2
207.10287	0.3
209.11867	100.0
210.12170	1.3
217.07106	0.2
221.06720	0.3
227.12926	11.7
235.08301	2.1
253.09392	0.3
263.07831	0.3
287.07748	0.4
305.08826	0.8
311.72760	0.2
323.09961	0.4
379.12488	3.0
397.13574	18.7
415.14597	5.0
589.25275	1.0
607.26312	2.1
626.26917	0.2
799.38287	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.4767
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	17.4
69.03489	1.1
71.01385	18.4
73.02947	2.1
80.02699	1.7
81.03471	4.5
83.01430	1.1
83.05027	7.1
84.02182	1.1
85.02973	4.1
87.00902	1.4
89.02467	5.1
95.05052	2.0
96.95982	1.2
97.02970	4.7
97.06600	1.3
99.08202	1.4
101.02449	7.4
107.05055	4.8
109.06609	3.9
111.08183	1.0
113.02457	4.6
115.07657	1.3
121.02957	1.6
123.04494	1.2
123.08141	1.5
125.02444	2.3
125.06066	2.3
125.09733	10.6
127.07630	1.6
135.04485	1.4
135.08188	7.0
141.09207	1.1
149.06056	1.2
153.09253	17.1
163.11311	11.1
165.12856	2.1
171.10281	18.9
176.08424	1.2
178.10010	1.8
179.05582	0.9
181.12328	3.8
185.11876	12.5
191.10799	4.1
191.14397	1.1
197.11877	19.6
202.57076	1.0
207.10313	15.5
209.11868	100.0
219.13751	1.2
225.11415	8.0
227.13257	1.2
235.08153	1.5
236.10530	1.9
237.11430	1.5
238.12189	1.5
243.17563	1.5
245.19122	1.3
253.09296	8.2
261.18698	1.9
263.16617	1.2
269.15448	1.3
287.16513	9.8
289.18137	9.9
305.17670	29.5
307.19186	38.3
308.07935	0.9
323.18765	8.6
325.20172	13.1
359.00925	1.1
460.16443	0.9
482.62283	1.0
523.25720	1.7
525.27222	1.3
541.26532	9.4
543.28357	9.7
559.27405	1.6
691.36578	1.5
735.39734	1.5
759.62634	1.2
762.38855	1.5
769.40448	4.1
780.39722	2.2
831.45752	11.3
849.47137	11.4
867.48035	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	867.3882
Annotation	Unknow
Peak:m/z	Relative Intensity
68.80258	0.5
69.03458	1.1
71.01392	100.0
72.99329	2.2
73.02951	3.1
80.02672	0.7
80.52230	0.4
81.03461	3.0
81.22243	0.4
83.01403	2.1
83.05033	3.4
84.02187	0.7
85.02959	5.4
85.14623	0.5
86.07769	0.5
87.00881	9.3
89.02454	14.5
95.01369	0.7
95.05048	2.2
97.02951	6.9
97.06602	0.9
99.00905	2.0
99.04521	0.7
101.02453	9.7
107.05033	0.7
109.06603	13.2
110.03739	3.3
111.00832	0.7
111.04519	2.7
113.02462	6.6
119.03490	3.2
121.02947	0.8
121.06556	1.1
123.04530	2.1
123.08162	0.8
125.02430	2.7
125.09701	4.4
127.11308	1.0
135.08202	4.5
136.05289	1.1
137.09755	0.5
139.11415	0.6
141.01917	0.7
142.02687	3.6
143.03471	0.7
151.11305	1.0
155.10767	0.9
161.04568	2.1
161.09723	3.3
163.11301	12.8
165.09180	0.7
165.12772	0.6
171.10280	16.0
172.93756	0.6
179.05611	2.4
179.10757	2.8
181.12364	5.9
185.11800	2.2
187.09773	0.8
189.09161	0.9
195.10112	0.6
197.11798	2.2
199.09787	0.9
201.11348	8.8
205.08707	3.8
207.10297	41.2
209.11864	23.0
210.11948	0.5
213.11234	1.1
215.12839	0.9
221.06654	2.6
223.09769	8.1
223.13054	0.6
225.09169	1.2
225.11366	31.3
227.12816	2.2
235.08209	2.3
236.77753	0.5
243.12367	1.2
305.25339	0.5
328.24210	0.5
397.13519	7.3
397.18723	0.7
415.14490	3.7
415.20862	0.6
417.79501	0.6
433.22159	0.6
585.52686	0.6
594.95099	0.6
605.24664	1.2
623.25598	5.6
742.08191	0.6
778.35815	0.9
813.34564	0.9
831.36017	0.8
849.37756	1.0
888.45819	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
71.01382	0.6
73.10225	0.3
120.13712	0.3
125.02381	0.3
149.24066	0.3
151.82738	0.3
201.37576	0.3
206.76477	0.3
209.11845	0.5
251.61929	0.3
292.03149	0.3
359.65671	0.3
616.79956	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2944
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00336	2.1
69.03474	0.2
71.01393	13.1
72.99335	1.0
73.02962	4.0
73.86568	0.1
74.44156	0.1
83.01403	4.6
85.02969	7.3
85.03448	0.3
86.00122	0.2
87.00900	0.8
87.44128	0.2
89.02454	8.0
95.01395	1.8
95.01913	0.2
97.02982	0.3
99.00896	1.5
101.02452	15.5
107.01413	4.1
111.00905	0.4
113.02466	7.0
114.44624	0.2
119.03514	2.6
121.02927	0.2
123.00873	0.4
123.08169	2.7
124.01670	0.8
125.02457	3.4
125.75767	0.2
129.01961	0.2
131.03494	0.3
135.77077	0.2
137.02504	0.3
143.03465	0.2
145.02895	0.3
149.02451	0.7
151.00388	14.7
151.03990	2.3
151.11314	0.3
152.01181	5.6
159.03035	0.3
159.04428	0.2
161.04570	1.0
166.02719	4.2
167.03543	2.0
169.01434	1.0
175.00404	1.3
175.11186	0.2
177.01903	0.3
177.12860	5.1
178.99872	7.8
187.04037	0.7
191.03558	1.0
192.00658	1.1
193.01474	2.6
195.13925	2.8
201.05437	0.2
205.05186	0.2
211.04053	0.2
214.02757	0.3
215.03491	2.7
219.10265	0.3
221.11855	4.2
231.02974	0.4
233.04523	0.3
237.14650	0.2
239.03461	0.3
243.02972	0.2
255.03011	0.9
257.04568	0.8
273.04047	0.4
283.02493	1.6
296.67261	0.2
301.03583	7.0
310.02734	0.2
313.09268	1.1
318.03799	0.3
319.04645	0.9
339.07224	1.4
339.48068	0.2
383.13559	0.3
401.18234	100.0
402.18719	1.4
447.09387	0.3
465.10431	9.8
478.13037	0.2
709.71021	0.2
879.02509	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.5328
Annotation	Unknow
Peak:m/z	Relative Intensity
64.60625	2.0
71.01405	2.1
76.58233	1.9
89.02455	3.7
92.10075	4.5
101.02440	6.6
111.08175	11.0
116.92878	2.2
118.20949	1.8
133.38837	1.9
140.31320	1.6
149.63031	2.4
169.12360	9.4
197.11855	71.6
199.13431	2.9
208.05792	1.7
211.13382	9.7
250.67471	2.1
253.09303	16.9
263.20264	2.9
273.86365	1.9
275.53943	1.9
277.18756	3.6
277.21768	100.0
291.19638	27.6
309.20755	48.3
429.54254	1.8
545.29547	3.0
566.38586	2.5
619.02271	1.9
782.76172	2.3
842.10992	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	865.533
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	17.2
63.01839	0.8
66.94461	0.9
68.10013	0.8
71.01407	4.5
73.02955	1.1
74.62342	0.9
85.02984	1.3
86.72636	1.0
89.02456	4.2
92.66388	0.9
101.02456	5.1
111.08163	7.7
113.02442	1.6
116.92881	1.4
117.89043	0.9
126.84786	0.8
134.79460	0.9
140.78415	0.9
161.04504	1.4
169.12363	2.3
197.11859	43.3
211.13504	6.7
235.08270	4.2
253.09271	12.7
263.20065	1.6
277.21777	100.0
291.19702	16.8
309.20767	37.4
317.40369	1.1
779.89270	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03475	1.0
71.01384	11.3
72.99297	0.5
73.02959	2.6
75.53201	0.5
80.02685	1.1
81.03475	2.1
83.01401	0.8
83.05025	6.0
84.02179	1.0
85.02979	2.9
87.00900	3.2
89.02444	15.2
89.02934	0.9
95.01421	0.6
95.05044	0.9
96.15872	0.5
97.02963	2.8
98.75968	0.7
99.00865	0.9
101.02425	8.6
110.65530	0.8
111.04552	0.7
113.02440	6.5
119.03503	3.3
125.02452	5.8
127.29903	0.5
135.08147	1.0
139.03960	0.8
143.03549	1.1
151.04060	0.7
153.12860	0.9
157.08655	0.6
161.04558	3.2
163.11313	5.4
165.12883	2.5
169.12363	4.4
179.05620	3.2
191.10867	0.6
197.11850	61.6
209.11856	100.0
210.12175	1.2
227.12898	8.9
231.93665	0.5
235.08228	2.3
253.09195	0.6
287.62161	0.5
287.74786	0.6
305.08932	0.8
379.12589	5.6
397.13507	29.4
415.14603	7.5
512.09082	0.7
577.25256	3.6
589.25244	1.2
595.26001	2.3
599.54816	0.6
607.25909	3.9
724.99457	0.7
787.36975	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03452	0.6
71.01381	11.2
72.99352	0.5
73.02942	1.5
79.03114	0.3
80.02686	0.5
81.03474	2.0
83.01394	1.0
83.05022	5.8
84.02171	1.9
85.02966	3.3
87.00887	2.8
89.02441	12.7
95.01392	0.4
95.05006	0.5
97.02956	2.3
97.06613	0.4
101.02447	10.5
111.04555	0.5
113.02467	4.1
119.03504	2.6
125.02450	4.6
129.01994	0.4
139.06885	0.4
143.03534	0.8
153.12881	1.7
161.04572	2.1
163.11276	5.5
165.12880	2.8
169.12354	5.2
179.05586	2.6
181.12358	0.7
191.10835	0.7
197.11848	59.0
198.12129	0.5
209.11858	100.0
210.12187	0.9
210.65784	0.4
211.13411	0.6
217.07220	0.4
221.06679	0.9
227.12894	8.9
235.08217	2.8
237.14951	1.0
287.07724	0.9
305.08887	1.5
323.09830	0.7
379.12543	6.4
384.10947	0.4
397.13580	29.7
411.91385	0.5
415.14642	6.2
571.78693	0.5
577.24805	2.9
589.25140	1.6
595.26105	2.7
607.26208	3.3
769.36261	0.8
787.38458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
63.33466	0.5
65.00336	0.5
71.01404	0.7
76.58117	0.5
81.03467	0.7
83.01394	4.7
90.06713	0.5
93.03487	1.1
95.01370	0.8
95.04986	0.6
97.02969	1.2
100.18136	0.5
101.02413	0.6
107.01376	0.8
107.05044	0.8
109.02950	10.5
121.02966	3.1
123.00951	0.8
123.04501	9.8
125.02439	100.0
126.02790	1.2
131.05035	0.7
133.02971	5.0
135.04512	6.9
137.02451	14.0
139.04005	2.4
145.02968	1.1
147.04582	1.0
149.02420	6.2
150.03287	0.5
151.00412	6.5
151.04010	12.5
159.04510	2.3
161.02452	29.6
161.06073	2.6
162.03203	1.0
163.00360	2.9
163.04050	4.7
164.01114	5.3
165.01950	6.6
167.03462	3.9
169.01477	4.7
174.03168	0.9
175.04012	14.8
175.07773	0.7
176.01149	0.9
177.01933	15.9
177.05591	2.2
179.03508	2.5
187.03978	4.3
189.01958	2.8
189.05521	0.8
190.02644	0.6
191.03455	0.9
193.05075	0.6
199.04039	3.7
201.05551	1.3
203.03526	3.8
203.07156	5.2
205.01440	1.2
205.05084	3.4
211.04053	0.7
212.04874	0.8
213.05649	0.9
215.03537	2.0
217.01559	0.7
217.05092	5.1
219.03075	3.8
219.06541	1.1
225.05637	0.7
227.03546	2.2
227.07112	1.2
228.04204	0.9
229.05078	2.0
231.02959	2.4
241.05046	0.7
243.02989	15.2
243.06642	2.0
244.03642	0.8
245.04576	8.5
245.08203	5.6
247.06236	0.9
255.02992	7.3
256.03787	2.6
257.04449	2.4
259.06052	0.6
261.04089	4.9
269.04630	3.2
271.06155	1.1
273.04080	2.2
281.04575	2.7
283.02484	1.3
285.04099	2.0
287.05655	18.5
288.02686	0.7
289.07196	17.5
295.06140	0.7
299.05756	2.3
315.08868	0.8
319.04660	3.4
339.08844	2.3
341.06772	0.9
372.06723	0.7
405.06348	4.0
407.07788	21.7
413.08951	4.4
423.07220	2.2
425.08841	7.4
449.08994	4.0
451.10492	5.5
499.09113	0.6
525.08386	1.2
543.09631	0.8
559.12775	0.9
561.10565	2.3
575.12103	3.6
577.13525	7.7
587.12238	1.2
695.14252	4.4
713.15210	1.0
739.16992	1.9
865.20813	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.2
Annotation	Unknow
Peak:m/z	Relative Intensity
65.04025	0.4
68.80256	0.4
71.01389	2.0
73.02972	0.4
77.67196	0.5
81.03457	1.6
83.01410	3.4
83.67925	0.4
89.02450	2.3
89.03970	0.6
93.03473	2.4
95.01379	0.8
95.05030	0.9
97.02943	2.0
99.04522	0.4
101.02453	2.3
107.05056	1.1
108.02167	1.0
109.02965	11.2
109.55137	0.4
117.03477	0.6
119.03494	0.8
119.05099	0.4
121.02950	2.8
123.04533	8.8
125.02448	100.0
131.05019	1.1
133.02942	6.2
134.03725	0.5
135.04527	2.9
137.02454	13.5
138.01984	11.6
139.04033	2.4
143.03514	0.6
143.05063	0.6
145.02934	1.0
145.06500	0.5
147.04575	0.6
149.02444	4.5
150.03113	0.6
151.04034	14.0
155.31241	0.5
158.03740	0.6
159.04488	3.7
160.05162	0.6
161.02454	36.3
161.06059	2.3
162.03172	2.1
163.00398	3.9
163.04066	4.6
163.06111	1.0
163.11310	1.8
164.01172	6.1
165.01926	5.7
167.03540	0.9
171.04539	0.6
173.06056	1.6
174.03244	1.6
175.04010	16.7
177.01950	14.5
177.05521	0.9
179.03513	0.9
183.04535	0.5
185.06088	0.9
187.04039	5.9
188.04797	1.0
189.01927	2.5
189.05669	1.0
191.03520	0.8
192.04333	2.2
193.05064	1.9
199.04013	5.5
201.01956	1.0
201.05602	2.8
203.03493	3.9
203.07217	4.6
205.01480	0.9
205.05075	4.1
207.04761	0.4
207.06615	3.3
211.04074	0.5
212.04829	0.5
213.05617	0.6
214.02771	0.5
215.03532	1.0
217.01695	0.6
217.05092	8.1
219.03006	3.7
219.06680	0.6
225.05658	1.0
227.03523	2.7
227.07057	1.5
228.04303	0.9
229.05110	2.9
231.03008	1.9
241.05011	1.1
243.03009	18.2
243.06717	1.6
244.03569	0.5
245.04585	9.6
245.08266	5.7
247.06285	0.6
253.05069	0.8
255.03038	8.6
255.05965	0.6
255.06566	0.6
256.03769	2.5
257.04556	2.8
261.04074	4.7
267.03030	0.9
269.04523	3.7
271.06064	0.6
273.04037	2.6
281.04578	2.9
282.01721	0.7
283.02283	2.0
285.04102	2.3
287.05621	18.7
287.08829	0.6
289.07242	17.6
297.04013	0.7
299.05649	2.7
329.06543	0.9
339.08771	2.3
341.06757	1.0
365.06775	0.6
381.09912	0.9
387.05225	0.5
387.16605	5.1
405.06165	3.8
407.07764	18.2
413.08923	4.3
423.07236	3.6
425.08859	8.3
449.08752	3.5
451.10416	4.9
487.51834	0.5
525.08374	0.8
543.09351	2.9
561.10413	0.7
569.11316	0.6
575.11920	5.0
577.13580	8.0
587.12189	2.8
656.43262	0.5
695.14459	4.8
713.15234	1.8
739.16644	2.1
783.46570	0.5
865.20203	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	865.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03474	0.7
83.01407	3.3
84.87451	0.4
85.02951	0.5
87.46140	0.5
93.03486	0.6
95.01423	0.8
95.05033	1.1
97.02968	1.3
105.03461	0.5
105.52116	0.5
105.96519	0.6
107.05067	1.0
109.02959	13.5
117.03474	0.6
120.02166	0.6
121.02968	2.9
122.03780	0.8
123.04527	9.0
124.01624	0.6
125.02444	100.0
126.02837	0.8
131.05022	1.0
133.02959	4.2
135.04529	2.8
136.94568	0.5
137.02448	14.7
139.04042	2.5
145.03030	0.8
146.03783	0.6
147.04427	0.9
149.02452	5.0
151.04025	13.7
159.04579	4.3
161.02461	33.8
161.06093	3.3
162.03204	2.3
163.00386	3.4
163.04008	5.5
164.01146	8.4
165.01927	6.0
166.89932	0.6
167.03529	1.0
173.06114	1.0
174.03178	0.6
175.04012	18.1
176.01170	0.8
177.01961	12.2
177.05606	1.0
179.03500	2.2
187.04037	6.2
188.04828	3.2
189.02013	2.2
193.05020	0.9
199.04079	4.2
201.02011	0.6
201.05652	2.2
203.03577	4.1
203.07199	5.5
205.01479	2.1
205.05051	5.1
211.03976	1.2
213.05620	2.2
214.00824	0.5
214.02679	0.7
215.03496	1.0
217.01256	0.6
217.05083	8.7
219.03093	4.4
219.06682	0.9
221.08191	0.6
225.05592	0.8
227.03516	2.2
227.07069	0.7
229.05118	3.0
231.02997	2.2
241.05141	0.9
243.02994	18.5
243.06676	1.7
245.04572	9.2
245.08221	6.7
247.06128	0.6
253.05116	0.8
255.02983	8.3
256.03812	2.9
257.04648	1.3
261.04059	4.8
269.04633	4.1
273.03952	2.0
281.04608	3.1
282.01727	0.8
283.02512	2.1
285.04138	3.3
287.05688	17.7
289.07214	18.3
290.07639	0.7
299.05588	2.7
305.04623	0.9
339.08850	1.2
341.06787	1.9
383.07562	0.6
387.05240	0.7
392.00272	0.6
398.49423	0.6
405.06223	2.4
407.07803	17.5
413.08871	4.5
423.07489	2.9
425.08792	8.5
449.08823	5.1
451.10547	5.0
499.11020	0.6
525.08569	0.8
527.58636	0.6
533.10699	0.7
543.09027	2.5
569.10913	0.9
575.12042	3.4
577.13556	8.3
587.11884	1.2
637.58508	0.6
695.13733	4.8
713.15338	3.2
739.16388	0.7
815.91998	0.6
865.21014	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	865.2005
Annotation	Unknow
Peak:m/z	Relative Intensity
63.68866	0.5
81.03447	2.3
83.01374	5.0
85.02969	0.9
93.03464	2.2
95.01389	1.0
95.05035	0.7
97.02950	3.3
107.05051	0.8
108.02175	1.1
109.02956	12.4
117.03483	0.6
119.05041	1.2
121.02937	3.0
121.78214	0.5
122.03767	0.7
123.04523	9.9
123.67970	0.6
124.01631	0.8
125.02445	100.0
126.02791	0.6
131.05070	1.2
133.02971	5.9
135.04524	3.6
137.02451	17.2
138.03212	0.7
139.04022	1.3
145.02985	0.7
146.03741	0.7
147.04529	2.1
149.02431	4.9
150.03218	1.2
151.04012	15.1
158.08528	0.6
159.04538	2.5
161.02449	34.7
161.06090	2.5
162.03186	2.4
162.76743	0.7
163.00380	3.0
163.04021	5.0
164.01141	7.2
165.01933	7.0
167.03409	1.3
173.06134	0.9
174.03188	0.9
175.04008	18.9
175.07628	0.6
176.01147	1.1
177.01939	14.4
177.05573	1.3
179.03482	2.8
183.04337	0.6
185.06082	0.8
187.04045	5.5
188.04695	0.9
188.83928	0.6
189.01939	1.3
190.02718	0.7
191.03487	1.1
193.05016	1.0
199.03995	4.5
201.01917	2.2
201.05634	3.3
203.03522	3.2
203.07120	4.5
205.01399	2.2
205.03447	0.5
205.05040	4.8
211.04128	1.2
214.02766	0.6
215.03534	1.0
217.01474	0.9
217.05067	8.7
219.03020	3.6
219.06560	0.9
221.08159	0.8
224.79008	0.5
225.05655	0.6
227.03476	3.7
227.07071	0.7
228.04337	0.7
229.05168	3.9
231.02997	2.2
243.03023	18.9
243.06668	1.1
245.04610	12.2
245.08221	7.3
253.05061	1.0
255.03047	7.9
255.05547	0.6
255.06493	0.5
256.03705	2.5
257.04507	2.9
261.04028	3.5
269.04657	3.0
273.04037	2.1
281.04535	3.3
283.02393	2.6
285.04053	2.8
287.02536	0.6
287.05643	18.2
289.07263	17.0
299.05646	3.1
321.07706	0.6
327.05017	0.6
339.08643	2.2
341.06708	1.2
381.09924	0.7
405.06186	3.7
407.07791	18.1
413.08936	5.1
423.07236	2.8
425.08853	8.3
449.09009	4.0
451.10385	5.8
525.08228	0.9
533.10968	2.4
543.09296	2.7
557.93561	0.6
559.12628	0.6
561.10645	0.9
569.10583	0.8
575.12280	4.1
577.13409	7.2
587.11932	2.9
695.14111	5.6
713.15417	2.4
739.17133	1.3
865.20642	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	863.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
62.98511	1.4
65.54847	1.2
69.03432	1.5
71.01384	17.3
73.02929	2.2
81.03472	1.5
82.04781	1.6
83.05065	3.6
85.02954	3.6
87.00877	2.9
89.02460	20.4
91.50887	1.2
101.02433	12.6
103.36639	1.6
112.79636	1.8
113.02462	9.3
114.48939	1.5
119.03546	2.2
125.02460	3.4
141.01758	3.3
161.04510	2.0
163.11266	2.9
165.12871	2.2
193.16069	1.8
209.11858	100.0
221.06712	1.9
227.12866	10.8
235.08147	1.9
255.23317	71.3
269.24701	1.6
301.31705	1.5
305.08673	2.1
379.12442	6.7
397.13553	39.8
397.18369	2.6
415.14615	3.6
454.51218	1.6
467.67545	1.7
508.58185	1.6
735.81519	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	863.5181
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11080	1.2
71.01385	5.8
71.65645	1.3
74.79426	1.0
82.80083	1.1
89.02457	2.1
101.02456	5.4
101.65309	1.1
111.08166	10.1
113.02486	2.4
119.03485	1.7
125.02486	1.4
161.04608	1.5
177.12898	1.3
179.10799	1.9
191.32513	1.6
195.13940	13.3
209.11823	8.3
217.04199	1.2
223.13380	6.1
227.12987	1.5
235.08440	1.7
247.20656	1.6
253.09381	10.4
255.23312	7.2
267.39026	1.4
275.20343	5.1
291.19717	100.0
293.21271	65.7
293.23773	1.3
316.26114	1.3
324.16953	1.3
459.67633	1.4
527.28583	11.2
529.31024	1.8
803.49518	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	863.5234
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98849	21.5
69.71105	4.2
71.70190	4.6
76.58529	4.7
78.95926	36.1
83.05011	6.4
90.71951	4.6
94.32840	4.6
113.19566	5.5
116.92858	5.5
163.11319	6.5
197.11880	7.3
206.90176	5.1
209.11859	8.3
225.11417	7.4
241.01244	25.9
245.19057	5.5
255.23355	36.9
277.21796	96.4
289.18164	100.0
291.19614	6.4
307.19135	67.3
863.49377	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.5023
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01387	18.7
73.02955	1.0
83.01402	1.3
85.02968	5.4
87.00898	1.6
87.35214	1.3
89.02441	15.8
97.02961	2.1
101.02448	12.7
112.26386	1.1
113.02451	6.9
116.39681	1.3
119.03498	5.6
125.02418	2.9
161.04567	1.4
165.12888	7.3
165.43567	1.2
168.17979	1.2
183.13911	51.9
206.94647	1.2
227.12965	1.9
255.23326	76.7
298.42029	1.2
397.13568	8.1
487.10764	1.5
653.27374	1.3
653.37140	1.8
769.66888	1.6
863.50165	100.0
864.51550	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	863.502
Annotation	Unknow
Peak:m/z	Relative Intensity
66.67772	0.4
69.03468	0.5
71.01392	17.1
72.99315	0.9
73.02966	4.0
75.00899	0.4
80.02665	1.4
81.03497	2.9
83.01417	2.1
83.05043	5.4
84.02191	1.9
85.02974	6.2
87.00876	3.8
89.02451	17.2
95.01414	1.8
95.05042	0.9
97.02960	3.6
99.00877	1.4
101.02452	12.8
101.03065	0.5
109.02972	0.5
111.04520	0.9
113.02447	8.2
114.49858	0.4
119.03493	5.0
121.02930	0.5
125.02450	5.3
125.06068	0.4
139.04085	0.4
140.57353	0.4
143.03514	2.4
161.04559	2.7
163.11317	5.0
165.12924	3.2
179.05690	3.3
181.12369	0.4
191.10809	1.6
208.53416	0.3
209.11868	100.0
210.12119	0.6
217.07242	0.5
221.06737	0.8
226.42833	0.4
227.12910	9.8
235.08258	4.7
237.22415	0.5
253.09259	0.9
255.23331	69.1
263.07562	0.7
269.24924	0.7
287.07764	0.6
305.08966	2.3
308.85577	0.4
323.09952	0.6
332.41455	0.4
361.11566	0.6
379.12515	7.7
397.13559	39.7
415.14612	8.8
436.96646	0.4
589.25293	0.8
607.26233	0.6
653.37640	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	861.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43979	0.3
63.02419	0.9
65.00335	13.2
68.34608	0.3
71.01422	0.5
74.31322	0.3
77.71217	0.3
81.03461	0.3
83.01389	8.4
83.01868	0.3
84.19630	0.3
87.15553	0.3
91.20864	0.4
94.29768	0.3
95.01402	1.8
107.01400	25.8
108.66581	0.4
108.99356	0.4
111.00858	0.7
119.01463	0.4
121.02977	1.9
121.06935	0.3
123.00877	3.1
123.04538	0.5
124.01646	6.9
125.02450	21.3
135.04446	0.4
137.02417	1.4
139.00362	0.4
139.04022	2.1
143.05087	1.2
145.03015	0.6
147.00899	0.6
147.04582	0.4
149.02440	7.0
151.00385	100.0
151.03998	14.8
152.01167	37.4
152.52997	0.4
153.01941	2.6
157.06601	0.4
159.04504	1.5
163.00363	0.5
165.01952	2.5
166.02722	32.1
167.03519	12.2
167.04886	0.7
169.01416	5.0
171.04532	0.5
175.00374	6.0
175.03926	0.5
177.01961	0.8
178.99875	50.1
183.04495	1.4
185.02420	0.7
186.03194	0.6
187.04047	4.1
189.01901	0.4
189.05598	0.5
190.02701	0.5
191.03499	4.2
192.00682	8.2
193.01453	16.5
199.04074	0.8
201.05569	0.7
203.03526	0.9
205.05055	0.6
211.04005	1.6
213.05566	0.5
214.02806	2.3
215.03546	17.2
227.03561	1.7
229.05118	2.5
231.02982	3.7
233.04591	1.9
239.03484	1.8
255.03009	3.4
256.03809	0.5
257.04568	6.1
259.02448	0.6
273.04132	3.9
283.02509	4.6
301.03577	47.5
302.03970	0.5
313.09378	6.8
318.03848	5.3
319.04617	7.0
339.07269	10.1
447.09427	4.0
465.10434	45.8
466.10715	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4843
Annotation	Unknow
Peak:m/z	Relative Intensity
59.98089	2.7
61.90799	2.8
63.10163	3.0
67.37006	3.9
70.78578	3.1
71.01377	26.0
85.02969	4.4
87.00904	5.4
89.02442	27.0
97.02976	8.3
98.17908	3.6
101.02469	24.6
102.10413	4.1
104.03062	3.7
109.06603	26.1
113.02467	5.9
121.61988	4.4
125.02445	6.4
134.89513	8.3
155.77136	3.4
163.11333	19.2
172.03944	4.0
207.08542	6.1
207.10320	100.0
225.11334	36.9
255.23328	99.9
291.19666	41.1
397.13708	42.0
415.14243	4.2
605.23981	6.2
623.24994	4.6
812.80981	4.5
839.00824	4.1
861.48871	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	38.4
71.01411	6.8
82.03641	4.4
89.02441	8.7
101.02497	8.9
116.92879	5.4
123.04504	6.5
142.86044	5.1
183.13943	5.4
209.11852	100.0
211.13492	77.8
227.12952	9.1
253.09431	5.3
379.12546	9.6
397.13556	42.0
607.25854	7.0
641.72711	5.2
855.37970	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	855.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98854	15.0
89.50212	10.3
93.52892	11.0
102.99921	12.3
106.04870	10.4
108.53040	12.4
116.92870	59.9
128.53659	13.1
209.11841	76.7
234.09126	13.3
277.21796	59.1
305.17621	63.9
517.20898	12.8
541.26337	48.2
604.23962	14.9
646.42273	15.0
801.48169	100.0
819.50165	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	855.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
71.19217	72.9
79.70050	63.3
90.90148	74.5
116.92859	83.9
189.09073	69.9
251.94868	89.4
296.04437	79.6
323.33060	100.0
394.31604	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.4836
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	8.5
68.15954	6.7
99.92592	8.1
116.92854	100.0
130.48103	7.2
144.63370	7.6
260.32190	6.6
293.21280	16.5
309.20795	27.8
642.59100	8.1
857.48584	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	857.4846
Annotation	Unknow
Peak:m/z	Relative Intensity
64.34609	3.3
81.21273	2.8
99.92593	4.1
112.56477	2.6
116.92869	100.0
124.91531	2.5
173.26772	2.7
194.00539	2.7
201.05951	2.7
293.21240	3.5
354.28253	3.5
725.86389	3.8
857.46967	3.7
870.95441	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	859.5003
Annotation	Unknow
Peak:m/z	Relative Intensity
69.43210	14.4
72.69448	13.1
76.58129	15.4
91.63483	14.4
93.32275	15.5
134.89587	16.3
171.10222	16.7
253.09418	28.4
277.21783	92.7
320.98221	18.6
327.21954	100.0
545.30023	19.8
563.30664	23.1
845.78821	16.6
859.49744	36.4
884.29443	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	853.4969
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	19.0
64.21944	4.5
64.85952	3.8
82.95440	5.2
101.02460	6.4
105.04288	4.1
132.70177	4.6
153.12836	6.2
171.10283	7.4
181.62080	3.9
197.11722	8.4
209.11943	32.5
247.20610	6.9
289.18073	5.7
291.19662	25.5
307.19241	45.5
309.20743	100.0
315.46735	5.4
325.20230	9.2
545.29614	9.4
550.68420	5.4
610.80328	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	853.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98845	5.5
64.35316	1.0
69.11715	1.0
70.17924	0.9
71.01374	11.0
71.05036	1.1
73.02951	1.3
80.02677	1.5
81.03479	4.6
83.05036	7.3
84.02161	1.8
85.02962	2.3
89.02449	9.3
91.16349	1.0
91.77677	1.0
95.05056	1.5
97.02955	2.3
97.06620	2.3
99.08177	1.1
100.43851	1.0
101.02450	10.8
109.03024	1.2
109.06605	2.1
111.00877	1.4
112.05353	1.2
113.02480	5.8
115.07622	2.3
116.86264	1.1
119.03539	1.2
125.06105	1.5
125.09742	10.4
127.07641	6.0
135.08142	1.5
137.09662	1.9
141.09213	1.7
141.12839	1.2
152.08368	1.5
153.09244	14.9
153.12930	1.3
155.10814	2.5
161.04585	4.5
163.11299	13.3
165.12878	13.1
171.10301	29.4
178.10025	8.2
179.10843	1.1
179.14433	4.4
181.12367	6.0
185.11847	11.6
191.10777	1.9
193.12215	1.2
193.15964	2.0
197.11864	15.9
207.10278	1.6
209.11880	83.2
210.12202	1.4
219.13939	1.2
223.13403	4.7
235.08292	2.3
238.12105	4.6
245.19139	7.6
247.20670	10.1
253.09293	14.8
263.20154	1.2
273.18774	2.2
279.19791	1.7
289.18198	19.9
291.19736	95.8
297.20807	1.8
307.19235	98.0
309.20807	100.0
325.20300	23.0
525.27222	1.4
543.28192	24.6
561.28943	2.6
766.41455	5.4
835.48718	14.1
853.51221	2.2
869.36151	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	853.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01377	10.2
78.07526	1.4
83.05035	5.1
89.02430	10.3
91.53387	1.1
101.02460	6.7
113.02452	2.7
125.02427	8.5
127.11237	1.3
129.38327	1.3
147.86453	1.3
159.04680	1.3
163.11307	2.6
165.12839	1.4
166.02728	2.2
190.99382	1.4
201.11368	40.4
209.11867	100.0
227.12982	13.8
235.08231	1.4
302.40881	1.3
323.10300	1.5
339.59177	1.3
379.12149	1.8
397.13483	20.2
404.66940	1.5
415.14758	5.8
514.99493	1.4
549.13129	1.4
641.63165	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	853.4956
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	58.4
63.14379	2.5
63.66368	2.5
70.30707	2.6
70.95244	3.2
71.01385	6.5
72.02204	3.4
76.86617	2.8
97.06606	5.2
99.00867	4.9
109.06522	3.3
111.08136	3.8
116.92839	7.4
125.06122	21.6
135.66574	3.6
141.09258	4.2
153.09210	4.3
163.11237	3.7
169.08710	20.6
171.10231	25.0
195.13928	18.1
197.11858	7.7
201.11378	42.9
209.11879	23.6
211.13448	5.8
223.13539	5.5
225.11420	6.3
227.12843	4.0
227.30980	3.6
253.09308	19.4
254.09483	3.0
275.20209	6.9
291.19690	4.9
293.21259	100.0
305.17697	15.1
307.19244	4.0
437.20755	4.2
526.11096	3.2
697.48224	4.1
772.27478	3.6
817.49579	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	853.4954
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	14.2
71.01398	14.3
78.95929	3.4
83.05040	4.8
85.02957	3.3
89.02428	4.7
95.05058	3.5
96.96011	34.4
96.96964	2.5
97.06607	4.4
101.02454	5.1
113.02454	5.0
115.38477	2.1
116.92857	2.6
125.09714	2.5
127.07660	3.8
135.08171	2.9
137.09810	2.4
141.09177	2.6
153.09218	11.5
155.10774	2.3
160.89474	2.3
163.11255	3.7
165.12875	3.1
171.10262	27.4
178.09944	2.6
181.12354	3.3
185.11867	15.1
191.14487	2.3
193.16110	2.8
195.13930	3.3
197.11827	14.4
209.11867	79.9
211.13460	2.9
227.12857	3.1
229.14424	3.1
235.08133	4.3
237.11310	2.3
245.19077	3.2
247.20665	2.8
253.09418	15.8
281.65994	2.1
288.23575	2.3
289.17999	22.6
291.19720	50.6
297.20804	2.3
307.19159	79.3
309.20773	100.0
317.43939	2.3
325.20258	25.1
527.28015	2.3
543.28156	28.3
545.29932	5.0
561.29358	3.3
766.41650	4.2
772.26031	2.8
835.48328	14.4
853.49304	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	851.4816
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01407	17.0
60.34737	6.2
61.98839	57.4
71.01400	7.1
72.96515	6.5
92.10149	8.6
101.17001	6.4
125.02514	8.5
135.08188	8.5
145.85135	6.9
148.01547	7.4
157.88097	7.2
164.85622	7.8
197.11781	11.3
209.11929	72.5
210.89063	8.2
287.16458	15.3
289.17859	10.3
291.19769	67.8
305.17682	28.5
307.19125	10.8
309.20825	100.0
418.37109	8.0
458.92065	8.1
638.77826	7.7
736.21100	8.4
769.46869	7.5
833.47339	30.3
851.48456	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	852.4255
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
71.01402	2.9
78.95924	0.7
89.02459	0.8
101.02473	0.7
136.86980	0.5
203.26395	0.7
209.11890	5.5
210.12201	0.9
211.13515	2.6
212.13872	0.9
262.53452	0.6
286.16223	0.7
306.15161	0.7
318.14819	0.8
397.13605	1.4
404.21106	0.6
599.11774	0.7
786.73438	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.6
63.01377	0.8
64.34514	1.0
66.97497	0.8
67.86329	0.9
69.03479	0.9
71.01379	80.8
73.02952	5.2
74.09993	0.8
80.02679	1.0
81.03474	3.9
83.01379	4.0
83.05034	9.8
84.02174	1.7
85.02959	6.0
87.00877	3.9
89.02443	14.6
93.03492	1.0
95.05032	1.8
97.02944	5.6
97.06564	0.9
99.00880	2.0
101.02434	13.4
103.46047	0.9
109.06599	12.0
111.66754	0.8
113.02463	9.3
119.03513	3.8
125.02416	4.8
125.09689	3.5
135.08156	3.8
136.05280	1.3
143.03496	1.9
161.04532	1.6
161.09674	1.1
162.31514	1.0
163.11311	17.2
165.12810	1.5
171.10284	20.2
179.05646	2.3
181.12381	4.1
185.11786	1.9
199.09703	1.3
199.13400	1.6
201.11362	16.0
207.10294	38.5
209.11858	100.0
221.06744	1.4
225.11357	34.9
227.12914	8.9
235.08293	2.2
241.91835	1.1
243.12300	1.7
271.52911	0.9
305.08594	1.1
397.13593	18.6
415.14456	8.2
538.54907	1.1
602.99744	1.2
605.25433	1.4
623.25623	5.7
815.36444	4.6
833.38397	5.7
870.91156	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.393
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	17.3
62.77573	1.4
67.17694	1.6
71.01383	15.6
83.05034	7.7
83.84660	1.5
83.85739	1.4
85.02960	6.4
89.02436	14.0
95.01410	1.6
101.02434	11.2
107.21840	1.5
113.02447	6.6
119.03482	1.7
125.02429	8.9
125.42565	1.6
127.11212	2.0
134.84850	1.3
135.08139	1.8
139.07558	1.7
161.04509	2.1
163.11276	7.7
169.01331	2.6
171.10268	42.8
179.05582	1.5
188.41890	1.8
193.48277	1.7
207.10287	6.3
209.11852	100.0
213.59305	1.5
221.06683	1.9
225.11371	25.1
227.12881	8.8
235.08252	1.8
379.12363	6.4
392.36179	1.7
397.13574	23.1
415.14490	6.1
511.73901	1.8
569.24988	2.1
623.25549	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	851.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	11.6
59.33518	1.2
61.98847	6.6
69.03477	1.6
71.01401	9.3
73.02969	1.3
75.20646	1.4
75.31888	1.4
81.03468	1.8
83.01359	1.4
83.05049	6.6
85.02974	3.0
87.00884	2.4
89.02451	5.5
89.72813	1.3
93.03460	2.0
95.01420	2.0
95.05032	1.7
96.96020	1.8
97.02956	3.0
97.06623	3.2
101.02446	10.5
103.24014	1.2
107.05045	6.9
109.06580	2.2
119.03522	2.3
121.02969	3.3
123.08248	2.1
125.02440	5.6
125.06081	1.8
125.09698	14.6
135.08173	6.0
137.57123	1.9
153.09299	9.7
153.12991	1.5
161.04575	1.9
161.15950	1.4
163.11288	15.0
165.09108	1.5
165.12827	11.3
171.10260	7.7
176.08395	2.2
176.15175	1.4
178.09967	1.7
179.14421	3.0
181.12363	6.2
185.11891	2.2
191.10808	6.6
197.11827	14.0
207.10266	14.3
209.11855	100.0
223.13364	3.1
225.11420	7.1
235.08327	2.0
247.20747	7.1
253.09315	12.6
257.67297	1.5
261.18616	5.5
273.18765	1.7
276.22565	1.5
277.18124	6.0
287.16580	15.4
291.19687	79.6
305.14267	2.9
305.17624	65.1
309.20767	83.9
323.18790	10.2
541.26550	19.1
559.27252	1.8
753.40894	6.1
815.46466	2.4
833.47021	26.7
851.47717	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	849.4865
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	18.7
66.00590	1.4
71.01382	16.5
72.99358	1.5
78.95934	1.7
84.68411	1.6
85.02962	2.4
89.02443	14.3
92.10726	2.2
95.05061	2.1
96.54099	1.5
97.02970	2.4
97.06599	6.6
101.02464	11.3
108.95045	1.8
113.02480	7.1
119.03545	2.0
138.66245	1.8
151.11298	16.6
158.57150	1.7
164.35851	1.9
168.89699	1.8
169.12344	56.8
186.51694	1.8
201.21684	1.7
213.11369	3.1
255.23343	67.6
523.64410	2.0
737.65845	2.2
771.66022	1.9
849.48657	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	849.5384
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	11.6
71.01376	2.1
82.84649	1.7
84.74005	1.9
89.02486	2.0
92.10826	7.4
101.02438	3.6
119.03460	1.8
138.54176	1.9
161.04576	1.8
195.13881	13.5
223.13403	6.6
253.09296	12.1
275.20126	9.7
277.21759	91.1
293.21283	100.0
441.48801	1.7
448.04141	1.8
541.71167	1.9
859.19159	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	850.409
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	0.3
61.98834	100.0
62.61073	0.2
70.46026	0.2
92.10038	0.4
109.88772	0.2
114.89245	0.2
125.02449	0.3
128.80067	0.2
149.02606	0.2
209.11867	1.4
382.50110	0.2
420.50458	0.2
632.75537	0.3
691.70892	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.6
63.02420	0.8
65.00338	2.4
66.44324	0.3
80.57177	0.3
83.01413	1.8
84.29006	0.3
92.65961	0.4
107.01395	3.7
117.03487	0.6
119.05045	0.4
123.00917	0.6
123.04611	0.3
124.01684	3.6
125.02450	5.7
134.03773	0.5
135.04533	0.8
137.02515	0.7
137.47403	0.4
139.00427	0.6
141.01945	0.7
151.00383	12.0
152.01164	35.2
153.01921	0.6
157.06638	0.3
160.38499	0.4
160.46516	0.3
164.70909	0.3
169.01442	2.1
172.81609	0.4
177.05598	0.5
178.99879	32.2
180.00407	0.5
183.04471	0.6
199.04028	0.4
201.05670	0.6
211.03992	1.5
215.07202	1.3
225.05721	0.6
227.03549	56.5
228.03920	0.6
229.05135	1.5
255.03038	67.6
256.03763	7.1
257.04590	0.8
259.06140	9.4
269.04599	18.7
269.07535	0.7
284.03314	82.8
285.00836	0.6
285.04050	18.5
286.04828	2.2
287.05701	4.1
289.07364	0.4
327.05185	0.9
343.48477	0.4
417.08371	100.0
418.08633	1.9
433.11459	31.9
434.11755	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	851.3929
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	23.1
60.79947	2.2
67.61261	2.3
69.03481	2.3
70.06560	2.3
71.01373	24.2
74.27195	1.9
79.12328	1.9
81.03480	2.8
83.05009	6.8
85.02940	4.1
89.02441	19.3
92.10818	4.2
97.02996	4.7
99.00876	12.4
101.02467	17.5
113.02450	10.1
119.03526	3.3
121.59991	2.2
125.02454	12.1
125.09722	10.1
155.94061	2.3
163.11298	17.1
165.12897	2.4
171.10284	30.9
171.23975	2.2
178.49188	2.4
179.05489	2.6
181.12453	19.6
199.13475	9.6
201.11421	2.4
207.10254	31.4
209.11867	100.0
225.11331	51.7
227.12909	10.3
235.08246	4.6
243.12399	28.3
379.12396	3.5
397.13681	14.8
415.14835	3.1
665.82959	3.0
807.65460	2.5
851.39142	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	849.377
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	19.7
64.35027	0.7
68.99850	1.0
69.03474	1.5
71.01398	23.4
72.99337	1.3
73.02972	3.1
78.77256	0.6
80.02682	1.4
81.03484	1.5
83.01404	3.3
83.05040	9.2
84.02210	1.3
85.02962	5.3
87.00906	3.3
87.14316	0.6
89.02452	13.6
92.10091	0.9
93.05661	0.7
95.01417	1.1
95.05035	1.4
97.02946	5.7
97.06607	3.0
101.02468	12.5
107.05045	1.1
108.02213	1.0
109.06638	1.0
109.13708	0.7
110.03732	2.5
111.00880	0.9
111.04527	10.7
113.02467	7.8
113.03124	0.9
119.03504	1.7
123.04550	1.2
123.08209	1.1
125.02493	5.0
125.06119	1.4
125.09747	6.3
135.08203	1.4
143.03578	1.3
151.11336	1.4
153.09201	1.1
155.10747	0.9
161.04573	1.8
161.09747	7.2
163.11298	7.5
165.12883	3.3
171.10291	17.0
177.09219	1.3
179.05637	3.5
179.10786	9.1
181.12361	0.8
187.09787	1.4
191.10748	1.5
195.10275	0.9
197.11891	3.8
201.11380	2.8
205.08751	7.3
207.10306	4.0
209.11877	100.0
213.11371	1.6
221.06664	3.5
223.09798	33.1
225.11382	3.7
227.12958	11.0
235.08258	3.7
241.10844	3.5
241.14632	1.2
275.02011	0.7
297.13870	0.8
379.12631	2.6
397.13583	19.9
415.14832	5.4
415.21033	0.9
603.22638	1.6
621.24176	4.1
633.02759	1.0
756.47461	0.9
813.35883	4.1
831.36975	7.3
849.37610	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	849.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	27.8
69.03477	5.1
69.68140	2.6
71.01398	24.3
71.05035	3.0
72.99320	3.5
83.01450	2.9
83.05048	4.9
85.02995	4.1
87.00906	2.7
89.02463	17.6
92.10263	2.6
97.02950	2.9
101.02435	15.5
113.02507	5.1
117.90495	2.3
125.02431	4.8
128.51547	2.6
147.41200	2.6
151.11290	3.0
153.12834	2.9
161.09785	5.1
163.11264	4.2
166.31310	2.8
179.10759	5.8
197.11861	100.0
207.10403	4.4
209.11880	81.5
241.10878	6.3
302.44553	2.3
397.13461	3.7
500.78171	3.1
849.37708	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	8.8
61.98830	3.6
71.01381	48.1
73.02945	2.4
83.05039	5.4
85.83424	2.2
87.56152	2.3
92.92780	3.7
101.02467	5.4
109.06574	16.0
125.09756	3.3
129.10114	2.3
163.11366	10.1
165.12914	2.1
171.10300	18.4
181.12383	3.5
201.11360	3.2
207.10278	31.6
209.11867	100.0
225.11354	25.7
227.12932	5.5
253.09219	3.4
461.20337	2.9
485.91800	2.8
596.47705	2.6
631.62872	2.8
671.32635	8.3
672.33136	3.4
737.98108	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	847.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	3.0
59.04973	1.0
61.98843	1.2
63.28303	1.1
71.01403	7.8
72.99353	1.5
74.11308	1.1
83.05032	2.4
88.98820	5.0
89.02465	1.7
101.02439	2.0
108.39609	1.2
125.09651	1.5
147.09041	1.1
158.82825	1.3
163.11243	9.0
165.12862	2.9
171.10243	1.5
181.12422	1.4
197.11833	2.0
207.10013	1.4
209.11861	100.0
211.13457	1.3
223.13632	1.6
227.12802	10.0
247.20668	3.0
253.09337	8.2
289.17981	2.1
291.19739	51.4
296.37454	1.5
309.20804	53.0
426.26187	1.4
680.40515	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01408	0.8
60.05437	0.9
61.98836	100.0
72.82892	0.7
81.50654	0.7
110.62752	0.8
124.15870	0.7
129.10371	1.6
185.39406	0.8
220.82933	1.0
268.35779	0.7
289.57648	0.8
355.86880	0.8
411.13541	0.8
627.47876	0.8
782.51996	8.9
785.53333	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	847.4109
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01365	0.7
97.56479	0.6
98.85325	0.6
123.04597	0.8
125.02553	0.9
137.80814	0.6
141.39598	0.7
167.03465	0.6
183.31813	0.7
410.10413	0.7
441.19067	100.0
442.19003	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.411
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.8
64.29959	0.6
77.33613	0.7
77.84409	0.7
85.02967	0.8
89.02438	1.0
99.74143	0.7
101.02492	0.9
117.00459	0.7
119.03458	0.8
125.02450	1.0
143.54428	0.9
177.75014	0.7
182.97070	0.8
405.21460	1.2
441.19031	100.0
509.56235	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
67.01927	0.2
69.03458	1.2
71.01373	0.3
74.44163	0.2
76.03004	0.2
77.70682	0.2
81.03452	1.0
83.01392	0.4
89.02447	0.3
95.01385	0.3
96.96024	0.2
97.02959	1.4
101.02473	0.2
105.03499	0.7
107.01372	0.3
109.02978	1.0
111.04555	0.3
121.02942	0.3
123.00885	0.4
124.01671	0.3
125.02451	73.9
126.02761	0.3
126.15585	0.2
137.02454	2.8
139.04024	1.6
149.02448	0.2
151.04016	0.3
161.02480	5.2
162.03101	0.3
164.01146	0.3
165.01941	1.7
167.03520	2.1
169.01442	100.0
170.01802	0.3
177.05614	0.8
179.03481	1.7
181.39136	0.2
193.01454	2.3
201.05569	0.3
203.07114	0.3
207.10226	0.2
217.08868	0.2
219.06647	1.1
221.04723	0.7
227.03487	0.2
258.62961	0.2
269.04620	1.1
275.06064	0.2
287.05789	1.7
305.06735	4.5
331.04626	1.0
387.16656	3.1
457.07877	14.4
752.40961	0.2
871.18616	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	56.1
77.70894	22.7
116.92844	100.0
141.01646	28.9
150.92238	31.1
153.62036	25.9
185.29091	30.6
206.71010	23.3
277.21628	36.6
345.67480	27.2
454.67285	28.1
671.24792	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	842.541
Annotation	Unknow
Peak:m/z	Relative Intensity
63.14755	1.6
82.06659	2.2
87.05660	3.6
109.46829	1.6
112.07683	2.1
116.92863	2.6
129.10373	26.7
130.08788	3.1
139.08809	7.0
140.07172	3.3
146.06114	2.1
155.08279	2.9
155.11882	2.1
155.92627	1.5
164.09587	7.2
165.10365	3.9
180.11559	1.7
182.31883	1.7
183.11403	4.0
184.78859	1.5
197.16597	7.9
200.14046	8.0
207.15083	25.9
208.13371	2.2
224.17700	12.3
224.28535	1.7
225.15993	3.2
225.87166	1.9
241.13515	3.5
242.11957	3.4
242.18777	21.4
259.14572	9.4
268.16690	1.8
294.25018	1.8
295.21530	11.4
312.17313	3.6
313.22583	7.4
329.20013	2.2
337.26059	11.9
347.20892	1.8
355.27243	2.5
370.82443	2.0
389.25375	2.1
464.16614	1.8
747.65607	1.7
782.52087	100.0
783.52393	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	841.3699
Annotation	Unknow
Peak:m/z	Relative Intensity
76.57051	0.3
77.60199	0.3
85.83806	0.3
88.60323	0.3
92.10075	0.6
99.92586	7.5
111.71101	0.3
114.43803	0.3
114.93407	0.5
116.92871	100.0
116.97260	1.5
117.01965	0.4
117.92899	0.7
129.95363	0.4
445.94189	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3686
Annotation	Unknow
Peak:m/z	Relative Intensity
60.33933	0.3
66.86653	0.3
73.02950	0.6
78.95898	0.4
82.95471	0.6
82.96043	0.3
83.05006	0.3
89.76432	0.4
92.24969	0.4
99.66703	0.3
99.92583	6.5
107.38693	0.3
114.93411	0.7
116.92861	100.0
116.97269	1.4
117.01926	0.6
117.92852	0.4
129.18079	0.3
299.20258	0.4
422.00003	0.4
426.30612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.473
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42399	51.3
87.17252	56.7
88.41444	52.3
102.80164	60.2
105.58922	68.2
112.72681	55.5
116.92889	66.6
122.92221	60.8
165.17723	60.9
183.82317	63.1
203.61545	77.6
222.05386	70.2
291.19614	100.0
330.84982	78.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.7
61.98843	2.7
66.63990	1.6
69.06912	1.3
69.43118	1.5
71.01390	8.4
77.34177	1.8
83.05007	2.4
84.71509	1.3
85.02974	4.1
89.02435	3.8
97.06604	1.7
101.02455	8.1
103.24102	1.9
113.02486	1.5
116.92863	2.8
155.10817	1.9
161.04514	2.4
171.10284	11.9
181.12262	2.1
183.13972	1.6
195.13913	9.6
207.10254	3.2
209.11835	3.8
211.13420	22.4
215.12820	2.1
217.12944	1.6
221.11792	2.2
223.13449	2.3
229.14499	16.0
235.08186	2.8
253.09296	20.8
275.20178	4.0
291.19614	7.6
293.21252	100.0
309.20630	3.6
327.21768	72.1
529.29834	2.9
563.31055	3.7
643.09900	2.3
869.77399	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.3641
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	18.6
63.90126	7.2
67.46268	6.3
71.01405	11.7
73.03951	7.0
88.98898	7.2
89.02431	18.6
113.45340	7.0
125.02408	29.0
141.24542	8.6
171.10236	14.2
197.11888	84.0
209.11885	100.0
227.12845	11.5
253.27078	7.8
262.07159	8.1
270.49536	9.6
391.47940	9.0
397.13614	76.8
416.70422	8.1
461.21417	7.4
535.64227	8.3
787.36407	9.0
841.36102	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	30.6
61.98838	13.8
68.28381	6.4
71.01379	98.4
82.95413	92.4
83.05055	12.0
85.02974	11.5
97.06599	8.2
101.02412	9.0
109.06601	15.3
116.92882	7.8
130.49716	6.7
149.06038	7.0
163.11345	10.8
171.10333	27.6
185.11963	7.4
207.10272	100.0
209.11821	50.5
211.13414	43.8
215.12877	6.9
223.09807	8.7
225.11409	47.4
229.14456	7.2
253.09157	26.0
290.36386	7.7
293.21274	79.1
309.20871	8.5
327.21820	89.2
363.99686	8.5
434.26495	8.3
461.20374	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	839.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
65.18530	43.3
74.70603	41.4
83.49558	50.6
99.07081	49.1
99.65956	46.8
104.05480	51.5
116.92861	100.0
122.56557	53.8
143.01555	49.2
161.20026	60.3
189.50891	59.4
316.81369	52.0
516.38300	54.4
526.36420	60.7
546.61029	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
65.68820	42.7
75.13856	41.1
75.25661	47.4
81.29071	45.2
82.32958	40.4
84.66334	40.5
92.10686	68.1
110.73254	45.9
116.92863	100.0
142.35556	42.5
145.26662	43.5
154.39908	43.2
167.08995	47.3
213.11401	48.9
248.21471	45.8
249.51454	44.3
296.76926	52.1
556.46362	47.5
603.38440	60.8
736.16589	49.4
781.69281	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	839.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	13.0
61.98835	2.4
71.01379	49.3
71.01773	1.7
72.02176	1.3
73.02933	2.9
76.58492	1.4
80.02673	1.3
81.03453	5.0
83.01378	2.6
83.05041	6.8
84.02148	4.9
85.02962	6.1
86.77139	1.2
87.00906	4.2
89.02443	5.3
90.06606	1.1
94.03372	1.2
95.05052	3.0
97.02956	8.1
97.06588	11.1
99.00901	7.5
101.02456	8.3
107.05028	3.1
108.02206	1.7
109.06596	21.3
110.03754	2.0
111.00890	5.5
111.08182	1.4
113.02472	5.3
119.01348	1.3
123.04550	1.9
123.08150	3.0
125.02460	1.6
125.06068	20.8
125.09706	13.8
133.06589	1.7
134.03729	1.7
135.08232	2.7
136.05333	1.6
137.06099	1.3
139.07648	6.0
141.09192	2.8
142.02737	1.9
151.11324	2.0
151.46394	1.5
153.09225	5.9
161.04604	1.6
161.09737	2.6
163.11293	18.6
163.27937	1.2
169.08690	19.3
171.10258	14.3
177.05515	5.1
178.09882	1.2
179.10797	1.4
181.12297	7.6
185.10313	1.2
185.11818	10.9
187.09872	1.5
191.10742	5.0
197.11859	7.5
199.09784	6.0
201.11365	10.6
205.08627	1.6
207.10289	46.3
209.11853	100.0
213.11214	1.5
219.10133	1.9
225.11353	35.9
227.12901	11.1
235.08203	2.8
235.82262	1.5
241.14447	27.3
243.12492	1.9
253.09248	15.3
261.18365	1.9
277.18079	2.5
287.16580	3.0
303.16019	5.7
305.17648	17.9
307.19171	2.4
321.17068	5.4
321.20749	2.9
341.23340	5.8
397.69083	1.9
443.19351	1.7
461.20520	9.9
598.76788	1.5
636.30255	1.5
664.51685	1.4
698.31750	5.0
839.40967	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	837.5
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	10.7
61.98833	12.5
71.01398	3.2
80.39646	1.4
83.05038	1.6
85.02980	2.1
87.19870	1.8
89.02477	2.6
101.02472	6.8
113.02463	2.5
125.09763	2.9
135.78104	1.5
153.09172	7.0
163.11325	7.1
165.12848	9.7
171.10292	9.6
179.14484	3.3
181.12308	2.0
195.13983	1.6
197.11813	2.1
209.11887	23.4
211.13422	2.2
223.13483	3.5
247.20631	10.5
253.09311	12.3
273.18604	2.0
289.18109	6.5
291.19690	100.0
293.21277	17.8
307.19244	18.5
309.17078	3.3
309.20734	90.5
325.20319	6.8
382.70816	1.8
543.27942	7.3
819.49036	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	837.502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	3.1
61.98837	3.5
71.01379	1.8
78.31594	1.3
81.16574	1.4
89.02487	1.9
111.08181	2.3
125.06139	1.5
165.12863	3.0
167.14511	2.0
169.12386	2.1
170.83698	1.3
181.12357	2.2
197.11891	19.5
211.13406	2.5
227.13048	1.7
247.20723	3.0
253.09296	7.5
273.00113	1.6
273.18753	1.9
276.14142	1.6
291.19724	44.8
309.20789	100.0
545.29761	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	837.5016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.2
61.98834	38.8
67.57500	4.3
70.86486	3.6
71.01395	6.2
78.95918	5.4
96.66985	4.5
101.02447	5.6
105.41840	5.7
116.92905	5.1
125.09698	6.2
145.60670	4.1
181.12326	4.4
195.13870	6.6
211.13463	38.8
247.20587	5.7
253.09361	16.2
291.19714	98.3
293.21283	18.4
307.19357	5.8
309.17484	8.0
309.20773	100.0
311.22516	5.9
421.80463	4.8
543.28015	5.3
545.29895	20.5
546.60193	4.4
554.99554	4.3
620.20880	4.9
743.18335	5.2
822.89563	5.6
837.50958	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	836.4297
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	1.2
61.98834	100.0
67.46999	0.5
69.36620	0.5
69.43372	0.5
71.01384	1.3
78.95918	3.3
84.42316	0.5
89.02435	0.8
102.84027	0.6
195.90955	0.6
209.11876	4.5
215.61812	0.6
383.59082	0.7
573.75836	0.7
836.38867	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4046
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
62.65048	5.0
71.01376	5.5
82.95426	26.0
133.67319	6.8
209.11920	71.5
245.26204	6.7
296.76706	6.8
302.15256	8.1
305.17538	14.2
353.83121	6.5
445.92664	7.0
462.25070	7.2
587.72058	6.9
598.86365	6.7
751.39069	40.5
769.40363	22.9
837.40662	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.5011
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.8
61.47070	1.7
61.98837	18.8
63.40538	1.8
66.59502	1.8
70.18537	1.9
71.01398	3.4
73.26132	2.0
82.77281	1.7
84.45259	1.7
89.02446	3.5
92.10856	4.4
99.29750	2.1
101.02495	3.4
122.45368	2.0
137.52979	2.1
153.12833	3.0
165.12915	1.8
181.12410	4.5
197.11880	8.3
209.11926	2.9
222.29282	1.8
223.13516	2.1
247.20700	4.8
253.09431	8.2
273.18759	2.4
291.19711	64.5
293.21399	3.2
299.03799	2.1
309.20792	100.0
353.42737	2.0
545.30023	14.0
768.69250	3.0
788.08411	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	835.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00625	1.4
58.00980	1.0
59.01386	36.4
61.98841	16.5
68.90381	1.2
69.03453	1.9
71.01387	100.0
72.99297	1.6
73.02966	8.5
81.03471	2.9
83.01393	4.7
83.05026	2.3
85.02963	7.9
87.00878	5.6
89.02450	19.9
92.10801	4.2
92.26403	1.2
95.01393	1.9
95.05021	1.4
97.02955	8.0
99.00895	1.4
101.02431	18.8
106.04313	1.3
109.06603	13.6
113.02457	8.1
116.92882	1.6
119.03492	2.5
125.02424	10.8
125.09694	2.2
136.05318	1.9
143.03534	2.4
144.76105	1.7
160.65649	1.4
161.09755	1.7
163.11328	14.2
165.12874	1.5
169.01576	1.2
169.12271	1.6
171.10323	9.5
179.05612	5.2
179.10809	1.6
181.12366	3.2
183.13991	10.9
185.11804	2.1
193.12320	1.5
197.11670	1.5
199.13515	9.8
199.15112	1.6
201.11351	6.3
207.10307	42.7
209.11890	29.4
211.13449	76.3
221.06627	2.0
225.11380	28.6
227.12921	19.5
235.08369	1.6
244.46378	1.2
372.92242	1.5
379.12592	1.9
383.22464	2.2
397.13599	23.6
401.23026	2.9
415.14542	5.4
419.24356	2.3
419.77341	1.9
454.73486	1.4
623.25519	1.9
625.27271	2.2
750.13055	2.0
799.37689	4.9
817.38599	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	835.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93885	1.6
59.01392	25.5
64.96922	1.6
69.03491	2.0
71.01381	17.4
72.99332	2.2
73.02951	2.0
83.01376	2.4
83.05045	3.6
85.02971	3.0
86.94445	1.9
87.00908	4.4
89.02433	14.5
98.94456	1.7
101.02457	12.0
113.02479	8.2
119.03522	2.5
125.02432	4.1
135.08173	2.0
148.88773	2.0
161.04567	2.3
163.11288	4.0
165.12877	3.3
170.61964	2.2
179.03502	2.8
199.13405	25.6
206.18449	1.9
209.11874	100.0
211.06082	1.8
227.12938	76.9
229.14531	2.4
235.08350	2.5
253.08794	9.1
339.77298	2.4
397.13547	21.0
415.14529	4.9
607.25598	2.8
625.27905	3.6
799.37695	8.6
817.39014	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	835.3982
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	1.9
59.01390	39.6
61.98838	5.0
69.03475	1.8
69.48512	1.2
71.01389	100.0
72.99294	1.2
73.02959	7.8
78.75896	1.2
78.95913	2.1
80.02697	1.3
81.03473	2.4
83.01421	3.1
83.05037	6.9
85.02975	8.4
87.00876	5.6
89.02435	18.7
92.10051	2.7
93.03471	1.9
95.01427	1.4
96.95975	10.5
97.02956	12.2
99.00873	2.8
101.02448	19.7
109.06596	20.9
110.03719	1.8
113.02448	14.2
119.03516	6.3
125.02448	8.4
125.09729	1.7
127.26075	1.2
135.08167	5.9
142.59442	1.2
143.03468	1.7
161.04510	2.2
161.09790	1.5
163.11310	17.7
169.12480	1.3
169.37555	1.3
171.10272	14.1
179.05621	4.9
181.12309	6.6
183.13904	8.4
185.11745	1.4
185.84123	1.2
189.09346	2.0
193.12315	1.8
199.09802	5.0
199.13438	7.4
201.11293	6.7
203.42665	1.2
207.10301	58.8
209.11858	43.0
211.13432	59.0
221.06702	1.6
225.11353	46.9
227.12915	14.6
235.08232	6.2
253.09422	2.0
287.07913	1.6
318.63797	1.8
375.25565	1.7
379.12741	1.4
397.13510	26.2
401.23450	5.3
415.14633	7.6
419.24261	6.8
477.86517	1.3
507.89362	1.5
526.86926	1.5
621.26123	1.3
623.25403	10.0
761.77209	1.6
779.32172	1.5
799.37775	8.9
817.38898	19.9
818.40002	2.7
835.38672	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3985
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00595	0.3
59.01386	11.3
68.99828	0.1
69.03464	0.3
71.01000	0.3
71.01389	8.3
71.05038	0.2
72.99311	0.3
73.02945	1.3
80.02690	1.6
81.03466	2.0
83.01386	1.3
83.05038	5.8
84.02167	1.5
85.02946	2.2
87.00881	1.5
89.02449	7.3
93.03467	0.2
95.01389	0.6
95.05051	0.8
97.02953	1.0
97.06589	0.2
99.00908	0.3
101.02450	6.6
109.02981	0.1
109.06636	0.5
111.04533	0.3
113.02454	3.2
119.03493	1.6
125.02450	2.6
125.06044	1.0
125.09720	0.2
127.03979	0.2
131.03505	0.6
133.05051	0.2
134.03773	0.2
135.08141	0.9
139.04053	0.3
143.03479	1.0
149.04601	0.1
154.33421	0.1
161.04562	1.2
163.11301	6.0
165.12857	2.9
171.10277	0.5
179.05605	1.4
181.12373	0.8
191.10811	1.6
209.11868	100.0
210.12222	1.0
221.06750	1.0
227.12924	11.4
235.08255	2.2
251.12859	0.5
253.09337	0.3
287.07755	0.5
305.08643	0.6
323.09781	0.5
379.12415	1.5
397.13553	15.1
402.62253	0.1
415.14627	4.3
419.24567	0.1
491.23987	0.2
539.03381	0.1
589.25507	0.2
607.26263	0.8
799.37531	0.5
817.38928	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78226	0.6
59.01388	21.6
65.37298	0.7
71.01381	16.5
71.01717	0.8
72.60931	0.6
72.99298	0.9
73.02946	2.6
77.03255	0.6
78.95917	1.2
80.02685	1.0
81.03475	3.3
83.01418	1.6
83.05021	7.8
84.02163	0.9
85.02974	3.5
87.00886	3.4
89.02441	15.8
95.01392	1.1
95.05074	1.0
96.96030	8.0
96.96966	0.9
97.02971	3.5
97.06581	0.6
99.00890	0.8
101.02440	11.8
109.06644	0.8
111.04539	0.7
113.02464	6.0
116.75672	0.7
119.03472	1.7
125.02454	3.7
161.04575	1.0
163.11247	5.5
165.12863	10.9
181.12392	0.9
183.13914	56.3
191.10704	1.0
198.14676	0.7
207.10246	0.9
209.11859	100.0
211.13464	1.5
221.06656	1.5
227.12872	9.4
235.08284	1.4
256.35974	0.8
335.84549	0.7
389.84274	0.8
397.13446	6.1
521.67694	0.8
595.96698	0.8
607.26300	0.8
625.27850	0.9
817.38416	0.8
835.39856	69.2
836.39771	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	834.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98834	100.0
63.81531	0.2
78.95937	0.4
85.44015	0.2
92.10723	0.4
109.02966	0.2
131.40475	0.3
182.92081	0.3
197.11739	0.4
209.11865	1.0
220.08191	0.3
232.73515	0.3
357.76697	0.3
424.63260	0.3
427.36606	0.3
545.68726	0.3
570.96832	0.3
698.20105	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	1.3
67.01904	2.3
71.01393	3.6
73.02932	2.3
83.01366	0.8
85.02950	34.1
87.00874	49.1
95.01395	0.8
96.96007	7.6
97.02946	3.3
99.05090	0.5
101.02427	0.7
103.04011	1.2
111.00884	100.0
113.02465	6.7
115.00349	1.2
121.44426	0.6
129.01944	5.5
130.99838	0.6
157.01396	1.1
168.55580	0.6
173.00922	3.7
175.02475	6.0
191.01991	57.8
217.03531	3.3
281.47583	0.6
303.07196	2.5
431.06528	0.7
479.10275	0.9
539.12830	0.9
625.16394	2.5
643.17468	12.3
737.23895	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	835.3978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	45.2
61.98838	82.5
64.89243	2.2
69.03461	2.6
71.01381	100.0
73.02967	4.3
79.47367	2.3
81.57410	2.0
83.01405	2.3
85.02949	9.3
87.00876	3.8
89.02449	20.6
97.02957	8.7
98.55082	2.2
99.00942	2.5
101.02421	17.6
109.02914	2.3
109.06606	20.5
113.02468	10.5
116.92869	14.4
119.03499	3.3
125.02470	5.2
130.08760	14.3
135.08115	2.5
136.05289	2.4
142.02660	2.9
143.03549	3.5
153.75543	2.4
163.11310	18.1
171.10265	15.7
179.05609	2.8
183.13905	5.3
197.11873	11.8
199.13463	7.8
201.11314	4.2
207.10292	44.7
209.11884	32.7
211.13458	69.3
225.11374	29.8
227.12897	14.4
322.20523	2.8
397.13422	21.3
415.14786	8.5
419.24359	9.0
440.29971	2.7
623.25732	3.6
623.77667	3.3
799.37500	9.2
817.38721	20.4
835.39441	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	834.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
60.87176	0.4
61.18552	0.4
61.98833	100.0
71.45226	0.5
81.02144	0.4
82.96111	0.4
93.65217	0.6
104.35877	0.5
200.90755	0.5
209.11833	1.8
387.59625	0.5
520.67175	0.5
549.65808	0.5
650.19537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	834.4146
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
78.91891	0.6
133.57869	0.6
143.04150	0.6
148.44608	0.5
202.99742	0.6
272.18369	0.6
322.75409	0.7
357.17078	0.6
579.12640	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.6
61.98835	100.0
63.68293	0.4
65.31168	0.4
92.80264	0.4
94.32121	0.4
103.26003	0.4
125.02486	0.8
137.11050	0.5
209.11858	2.1
336.25244	0.5
420.66788	0.5
521.92578	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.3986
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.7
61.98833	100.0
63.23574	0.3
71.01392	0.4
71.04988	0.4
72.44878	0.3
73.86949	0.3
78.95864	0.4
83.05030	0.5
89.02473	0.3
132.22762	0.4
163.11224	0.6
171.10265	0.5
185.11867	0.5
209.11864	2.4
240.38715	0.4
245.46642	0.4
252.30629	0.4
273.17105	0.7
333.40063	0.4
601.84558	0.5
832.46301	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	833.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	30.0
64.41460	0.6
65.03986	0.7
67.51318	0.6
69.03477	1.7
71.01376	18.5
71.01722	0.9
71.05050	0.8
72.99345	0.8
73.02959	3.4
73.39421	0.6
73.39848	0.7
75.10126	0.7
80.02688	3.9
81.03474	4.1
83.01413	3.3
83.05028	9.8
84.02188	3.2
85.02943	6.1
87.00899	3.6
89.02435	15.9
93.03458	1.6
95.01382	1.0
95.05065	2.7
97.02937	11.7
99.00893	4.2
101.02438	14.0
106.04220	1.0
107.05048	0.9
109.02904	0.9
109.06597	24.0
110.03686	1.1
111.04558	1.0
113.02438	6.3
119.03506	4.0
121.06588	1.7
125.02420	6.6
125.09734	3.7
135.08177	4.6
136.05333	0.7
142.02742	1.5
143.03514	1.2
151.11333	0.8
161.04546	3.3
161.09697	1.3
163.11284	25.8
165.12843	4.9
171.10275	1.4
179.05617	3.2
181.12430	4.2
185.11812	1.2
189.09293	1.4
191.10759	1.5
207.07397	1.0
207.10286	73.2
209.11847	100.0
210.12256	1.2
221.06662	1.1
221.11768	0.9
225.11333	36.3
227.12886	9.1
235.08228	1.7
235.13469	0.8
243.12408	1.0
247.13342	1.3
249.11424	1.1
263.12976	1.3
279.43155	0.8
281.14096	0.8
289.34091	0.8
379.12646	1.1
397.13550	18.8
399.21933	3.5
415.14490	6.2
417.22940	4.8
456.79074	0.8
470.29358	0.9
605.24896	3.9
623.25916	6.8
738.89868	0.8
797.36121	12.0
815.37146	15.1
816.36646	1.0
833.38239	23.3
833.52759	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	829.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00597	0.4
59.01384	58.4
71.01385	11.6
72.99315	1.2
73.02937	0.4
83.01422	0.7
85.02944	3.5
89.02449	14.4
95.01388	1.7
96.96010	1.2
101.02450	9.5
109.06628	0.4
111.00923	0.3
113.02443	5.3
119.03502	5.6
119.04963	0.3
125.02444	3.2
126.51626	0.3
147.08261	0.3
161.02371	0.3
163.11316	5.3
165.05443	0.3
169.01408	1.6
177.01884	0.6
200.60641	0.3
205.03458	0.3
207.10280	12.0
243.03044	0.5
276.78378	0.3
387.16641	100.0
388.16977	1.8
407.76611	0.3
556.55933	0.3
703.67212	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	829.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	18.2
61.98842	2.7
67.39219	1.0
71.01373	10.5
73.02945	1.5
74.32968	1.0
80.02680	2.3
81.03485	2.7
83.01413	1.7
83.05026	8.0
85.02943	1.6
87.00893	1.5
89.02451	6.9
95.05027	2.4
97.02967	8.4
97.06550	1.9
99.00871	1.5
101.02459	7.2
107.05025	1.8
107.37922	1.2
109.06593	27.2
110.03725	2.4
113.02474	2.4
119.03508	1.5
119.04967	1.3
121.02952	1.5
121.06603	1.7
123.04488	4.5
123.08158	2.5
125.02457	2.3
125.09733	8.9
127.07650	3.0
134.74446	1.2
135.08125	5.7
139.07698	1.6
141.12851	1.2
142.02666	2.4
152.85626	1.4
153.09204	10.2
155.10875	1.6
161.04495	1.6
161.09731	1.9
163.11293	28.9
165.12753	4.7
169.01492	1.3
171.10274	19.4
178.09964	2.3
181.12332	6.6
185.11797	10.1
191.10759	5.0
197.11800	9.3
207.10291	75.2
209.11855	100.0
219.13904	1.6
221.11584	1.3
225.11378	37.8
227.12936	2.3
235.08238	2.0
253.09401	10.7
287.16479	5.4
289.18085	8.4
305.17679	16.6
307.19220	29.2
323.18753	2.2
325.20306	12.1
329.17258	1.6
371.69836	1.4
461.20374	8.9
497.29266	1.9
515.29529	2.2
525.26727	1.7
541.26599	5.9
541.37665	1.3
543.28418	2.8
559.27594	1.7
583.69110	1.4
617.03046	1.4
646.48370	1.4
664.31018	2.2
667.10364	1.4
682.32275	2.7
715.37140	3.0
721.73749	1.4
733.38080	19.4
751.39209	29.4
769.39978	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	828.2162
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
70.01835	0.5
70.03004	0.7
71.01387	6.9
81.03444	0.8
83.01382	0.9
86.46348	0.6
88.04043	83.5
91.05550	3.8
97.02966	1.0
97.76148	0.7
97.88470	0.6
109.02976	6.6
114.01971	4.3
115.00377	16.2
117.03493	0.6
121.02983	1.1
123.04552	4.0
125.01517	0.7
125.02456	36.0
132.03036	100.0
135.04523	3.3
137.02441	9.9
139.04056	0.8
149.02469	2.5
151.04059	4.7
159.04575	0.8
161.02460	9.0
161.06102	0.9
163.00475	0.8
163.04076	0.8
164.01186	2.3
165.01981	1.0
167.03473	1.5
175.04045	3.9
177.01971	4.8
179.03476	1.3
183.76204	0.6
187.04099	2.1
188.04782	1.2
201.62703	0.6
203.07219	3.3
205.05063	3.3
206.08344	1.1
215.25504	0.6
219.06551	0.6
231.03044	0.9
243.03018	1.1
245.04541	1.2
245.08301	6.5
250.07251	49.9
255.03032	2.7
256.03836	1.3
257.04645	0.8
273.04123	1.3
281.04608	0.8
285.04089	2.6
286.72070	0.7
287.05661	3.3
289.07230	16.6
299.05719	1.1
339.08643	1.2
407.07742	19.3
425.08884	19.2
451.10498	5.7
559.12616	1.4
577.13550	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	823.4713
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	24.7
59.44120	2.8
64.65010	2.8
70.68376	3.6
71.01383	17.3
77.49532	3.4
82.95429	20.2
83.01385	3.4
83.05043	3.4
85.02977	4.9
86.63955	3.1
89.02449	21.7
97.06605	18.5
101.02439	13.3
113.02462	3.3
116.92924	3.4
123.08167	6.2
125.09720	84.8
143.03545	3.7
171.10251	15.1
187.09781	59.3
255.23347	52.3
277.21750	31.6
327.21921	24.3
815.48499	3.8
823.47113	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	825.494
Annotation	Unknow
Peak:m/z	Relative Intensity
58.35629	58.2
60.14776	64.4
75.01624	62.8
81.43660	64.5
106.03188	85.3
132.17125	74.5
163.54123	67.0
277.21613	100.0
514.68158	83.4
535.51099	99.9
653.26984	86.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.2726
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98843	6.0
71.33955	5.3
74.70732	4.8
85.87519	4.9
91.20413	5.0
92.10101	17.3
93.03474	37.7
108.02187	14.1
112.12978	6.1
121.02949	7.5
122.38047	6.2
123.04515	8.6
125.02377	5.9
133.02922	7.8
134.03748	100.0
136.01657	7.8
147.04521	9.2
149.06142	44.3
151.03979	28.2
161.02563	7.0
165.05649	6.5
207.10274	8.9
209.11848	14.2
225.11292	7.5
239.07109	7.4
241.04887	8.2
241.08826	6.6
252.04237	8.9
267.06726	14.7
269.08194	31.6
313.10782	8.3
363.12469	26.8
375.12448	34.8
417.13464	12.5
453.35068	7.0
469.16644	26.4
481.16681	11.5
527.17584	8.1
633.21204	27.5
647.22125	7.1
677.24286	14.6
765.26642	12.8
783.28949	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	822.2112
Annotation	Unknow
Peak:m/z	Relative Intensity
61.30991	0.5
61.98833	100.0
82.95319	0.4
117.03445	2.6
119.05015	0.9
120.92579	0.5
125.02408	0.6
143.24792	0.5
145.02959	9.7
163.04016	1.0
218.81827	0.5
759.21851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.3903
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.6
61.37931	4.9
64.35341	5.6
71.01378	13.8
71.76864	5.7
82.95420	100.0
83.05030	7.9
85.96572	5.1
96.96066	7.4
116.92862	8.2
147.68069	5.5
161.09839	6.1
171.10315	7.7
207.10222	9.7
209.11819	65.7
225.11388	10.7
227.12776	11.9
234.90909	5.6
253.09259	6.3
301.17206	5.3
301.78088	6.8
464.25769	7.3
515.56152	6.2
573.74713	6.1
738.13611	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	823.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
60.01345	7.3
61.98841	14.0
76.52670	7.1
96.24609	8.1
103.30470	7.5
116.92870	8.1
117.88327	7.4
204.29823	8.7
207.10249	9.5
209.11826	100.0
213.78896	7.9
225.11346	9.0
227.12953	10.1
253.09056	9.0
291.19638	36.2
309.20718	48.4
398.63782	9.3
477.29214	8.7
536.45483	9.0
823.42737	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	823.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01419	6.2
61.98837	5.3
62.63210	3.2
64.98206	3.5
66.86151	3.9
71.01394	4.0
73.96312	4.0
83.05029	4.6
89.02396	4.0
101.02496	4.3
103.44106	4.0
109.06607	4.2
163.11305	6.1
197.11862	8.0
207.10320	16.3
209.11861	100.0
211.13318	4.5
225.11342	55.8
227.12901	23.1
252.74777	4.1
253.09254	21.7
291.19705	17.0
309.20676	26.6
342.92264	4.4
461.20627	7.9
545.29346	4.7
697.23572	4.6
737.41583	15.4
755.42035	22.1
823.42670	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	821.5059
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	4.3
61.98851	13.8
78.95922	7.3
92.65105	3.4
96.43631	4.3
96.96024	100.0
96.96959	13.9
98.18156	3.9
101.62611	3.8
166.03632	3.6
195.13974	9.5
227.06558	5.1
227.69058	4.0
275.20209	4.4
291.19690	21.5
293.21277	45.5
309.20792	51.2
442.52628	3.9
534.19690	4.6
634.89636	4.6
821.51050	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	821.3819
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.9
59.01390	22.9
63.79000	1.4
66.83484	1.4
69.03489	1.5
71.01389	17.8
73.02944	2.3
74.58012	1.4
83.01419	2.1
83.05037	3.6
85.02977	3.8
87.00899	3.4
89.02431	15.6
97.02963	2.1
97.06606	2.0
101.02436	16.9
111.25535	1.5
113.02461	6.9
114.67769	1.5
114.93421	7.1
116.88621	1.6
119.03555	2.4
125.02402	5.5
126.13036	1.5
129.98784	1.6
151.11281	16.5
161.04573	1.7
163.11261	2.2
169.12344	100.0
209.11864	55.5
213.11295	15.0
221.06604	5.5
415.14246	2.3
593.23578	1.9
611.25842	5.6
821.38318	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	821.5061
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.6
61.98842	73.0
62.26963	3.7
67.25709	3.6
68.20963	3.7
69.18296	3.8
71.01405	5.8
71.78441	3.8
73.60490	4.5
74.61872	4.3
77.12548	4.0
89.02486	4.5
92.10873	10.3
100.01431	4.3
101.02407	6.9
111.08219	5.9
143.55515	5.1
146.15941	4.4
158.57442	4.8
195.13931	9.8
197.11781	26.3
207.55548	4.2
223.13255	8.5
227.70087	4.4
245.80998	5.6
253.09238	23.6
275.20264	5.9
279.23151	6.1
280.23529	6.5
285.64545	5.0
291.19711	7.0
293.21216	100.0
309.20691	34.3
327.26859	4.6
458.08456	4.5
752.41479	4.9
788.05865	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	819.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	1.2
59.01395	9.4
61.98844	8.2
68.98108	1.1
69.19659	1.1
71.01393	5.7
71.98985	1.4
74.04906	1.2
85.02978	2.0
89.02457	2.2
95.05044	1.5
101.02468	5.9
111.08167	16.1
113.02476	2.5
127.07707	1.3
137.09767	1.2
167.10800	6.5
177.12869	5.5
179.10771	5.5
191.14552	2.0
191.22151	1.3
191.65126	1.2
195.13931	19.0
209.11885	1.5
223.13484	1.7
225.43684	1.3
245.19148	2.0
247.20750	5.0
253.09398	11.3
289.18054	13.8
291.19711	100.0
292.20053	1.9
293.21274	24.3
305.17664	1.9
307.19226	17.1
342.45566	1.3
439.24292	1.3
801.47449	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	821.375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	3.5
59.01392	20.5
60.28748	3.4
61.70663	3.5
61.98835	37.6
63.34464	2.9
69.49084	3.0
71.01386	31.0
73.85849	3.5
83.01392	4.1
83.05033	7.1
83.86395	3.1
93.03464	6.0
95.05035	4.0
97.03011	6.7
101.02438	13.4
107.05057	5.7
109.02948	4.1
109.06592	25.4
109.69852	3.4
121.02933	6.5
123.04515	6.9
123.08137	3.9
125.02454	4.6
125.09747	17.9
134.03770	5.8
135.08167	7.1
148.04521	4.1
153.09268	4.6
163.11272	28.1
165.12849	5.0
171.10318	4.6
171.41582	3.8
177.05492	3.7
181.12335	7.2
185.11795	4.3
187.09650	5.9
192.35271	3.6
197.11908	15.2
199.09779	4.9
207.10280	77.5
209.09875	3.8
209.11858	100.0
225.11378	44.0
225.28381	3.7
253.09291	12.9
265.08499	4.5
277.18213	5.3
303.16043	7.9
305.17584	35.1
321.17032	4.9
323.18643	3.9
413.13400	4.9
461.20563	14.3
541.27209	5.3
557.26068	4.3
669.31897	4.1
698.31781	23.7
731.36530	6.1
749.37616	13.9
767.38458	6.9
768.39868	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	819.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	9.3
61.98844	48.6
65.96371	10.2
73.63560	9.8
76.89814	9.0
82.32639	10.1
83.14323	8.4
102.27153	11.5
116.92874	11.6
122.83025	9.5
178.09604	10.8
181.78593	9.7
194.53978	10.8
204.11078	10.2
209.11967	100.0
277.18896	13.6
277.21719	82.4
305.17657	44.8
311.97360	11.0
392.69589	10.5
412.05600	10.7
412.91235	10.3
522.62164	12.4
541.26160	32.8
590.66180	11.2
801.48535	21.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4915
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.7
71.01341	1.4
73.02943	2.0
83.05040	2.5
92.10036	3.1
101.02459	3.3
103.37799	1.8
113.02435	1.9
116.92878	1.5
125.09724	2.0
135.08215	2.5
153.09227	6.2
161.04660	2.5
163.11330	1.6
166.57312	1.6
181.58908	1.7
191.10724	2.2
197.11932	8.3
207.10324	6.7
209.11841	37.4
235.08203	3.4
253.09235	6.9
277.21777	100.0
279.69672	1.9
287.16568	3.9
291.81558	1.6
305.17606	27.9
310.67050	1.6
323.18484	2.1
334.22183	1.8
365.06744	1.7
394.42294	1.7
400.59128	1.7
440.74774	1.9
523.25488	2.1
529.42517	2.0
541.26471	3.5
721.41638	3.0
801.47815	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4396
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.2
61.98856	2.5
71.01385	19.9
81.03455	2.5
82.05856	1.7
83.05050	8.4
84.02158	1.9
84.95142	1.6
86.62631	1.5
89.02442	3.9
89.55913	1.5
96.96004	3.4
97.02974	1.9
97.06593	7.9
99.00896	3.8
101.02443	8.3
109.06596	1.9
125.02424	1.7
125.06097	22.1
125.09714	3.1
127.11321	2.0
137.06136	1.5
141.09195	2.8
153.09236	2.0
161.04584	1.8
163.11305	7.1
165.12831	3.9
169.08725	14.7
169.09903	1.7
171.10271	18.4
181.12285	2.1
183.13918	10.4
185.11842	2.6
197.11830	4.0
201.11365	15.7
207.10284	6.8
209.11880	100.0
211.13387	9.9
225.11340	10.0
227.12915	11.8
241.08853	1.8
253.09296	10.4
305.17523	13.8
341.23331	8.4
397.14014	2.1
456.18481	1.9
574.67731	1.9
689.34027	4.0
819.40076	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	819.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	0.7
58.00619	0.8
58.18363	0.6
59.01387	22.0
69.03465	1.1
71.01382	17.5
72.99315	0.8
73.02951	3.0
80.02669	0.7
81.03474	1.5
82.95428	4.6
83.01408	2.7
83.05036	7.5
84.02170	1.4
85.02950	4.5
87.00893	3.1
89.02447	17.0
95.01377	0.9
95.05029	1.3
97.02926	3.2
99.00874	0.8
101.02437	10.9
113.02456	4.8
115.56577	0.8
119.03489	3.3
125.02436	5.7
135.08214	0.6
138.82669	0.6
142.02524	0.7
142.57419	0.8
143.03561	0.8
152.95859	0.7
161.04552	2.5
163.11324	5.4
165.12846	4.5
167.14377	1.0
171.10269	0.8
179.05658	1.2
183.13882	5.5
191.10835	1.4
193.12354	0.9
209.11867	100.0
211.13431	70.3
221.06647	1.3
227.12962	11.8
233.12012	0.7
235.08289	4.7
253.14523	0.7
253.69292	0.7
286.18567	0.8
305.08798	0.9
359.85303	0.8
379.12534	3.8
380.81180	0.7
397.13513	31.3
415.14499	6.9
456.59137	0.7
591.26843	1.1
607.25854	1.6
608.35101	0.8
609.27625	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	819.2515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	5.2
58.93622	0.6
59.01378	9.3
63.02408	3.6
65.00313	7.1
67.40901	0.6
69.03469	0.7
71.01384	2.8
73.02947	1.8
80.65120	1.0
81.03448	1.3
83.01369	5.6
85.02946	9.2
93.03471	1.5
101.02436	1.5
107.01382	8.9
111.00896	3.9
117.03432	1.2
119.05019	1.0
121.02916	0.8
123.00876	2.9
124.01633	9.4
125.02425	17.5
129.01938	3.4
133.02919	1.0
134.03764	0.9
135.04558	5.5
137.02429	6.2
139.00377	1.8
141.01974	2.9
151.00374	33.2
151.01552	1.4
152.01155	85.1
160.05190	0.7
164.01155	3.3
165.01930	7.9
167.03485	1.0
169.01411	6.5
169.06670	0.9
173.06094	2.7
175.04111	0.9
175.07654	2.9
177.01996	1.5
178.99866	89.9
180.00529	1.5
181.28552	0.7
181.61961	0.8
195.13928	6.4
197.06047	1.2
201.05670	1.1
205.03581	3.3
215.07187	1.4
217.08658	1.8
223.04591	6.6
225.05603	3.8
234.74301	0.9
237.76157	0.8
241.05148	1.0
243.06735	1.6
251.03601	1.2
253.05107	1.8
253.33589	0.8
259.03391	0.7
259.06137	23.3
269.04562	51.2
286.04776	5.3
287.05701	13.3
289.07568	1.1
293.59103	0.8
367.11954	5.1
385.13019	4.7
385.18732	22.9
405.06427	1.0
433.11453	100.0
449.05273	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	818.4196
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
84.69212	0.5
102.24957	0.5
152.33888	0.5
170.34195	0.5
197.11772	0.8
201.19443	0.5
209.11864	0.9
244.99272	0.6
253.14294	0.6
291.19907	0.7
309.20874	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.42
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
65.58180	0.4
68.71393	0.3
71.01395	0.4
75.88449	0.4
89.02424	0.5
91.26710	0.4
96.97998	0.4
100.32591	0.5
104.20485	0.4
114.90315	0.5
125.02428	0.5
137.42694	0.4
151.11238	0.5
184.64066	0.5
197.11810	1.7
291.19516	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.3
60.43010	0.7
61.98840	23.6
71.01391	1.1
78.95918	1.7
82.06661	3.7
87.05639	6.9
92.10100	1.0
112.07715	1.4
118.06634	1.2
121.04121	1.0
129.10345	29.8
130.08745	2.1
131.05026	1.0
136.72383	0.9
139.08833	7.4
140.07198	6.8
142.28709	0.9
146.06091	2.8
155.08340	6.2
155.11931	1.1
164.09570	6.2
165.10342	8.3
167.08290	1.1
180.11473	1.1
182.13014	4.9
183.11389	3.3
195.15152	2.1
197.11838	1.3
197.16664	6.8
200.14084	7.3
207.15059	23.4
208.13441	1.2
210.70482	1.0
213.76736	0.9
214.12532	1.5
224.17694	13.2
225.16080	6.7
226.12120	1.2
241.13536	4.3
242.11870	5.0
242.18768	22.5
259.14474	9.7
268.16525	1.0
276.17105	1.4
295.21384	12.5
312.17264	4.6
313.22409	7.6
329.20081	1.2
330.18143	5.4
337.26233	13.9
347.21161	1.5
355.27255	8.4
371.24710	1.3
389.25925	2.1
443.27100	1.2
468.35715	1.0
523.15369	1.3
539.39288	3.6
573.37872	1.8
782.52002	100.0
783.52386	5.3
818.50201	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	817.4611
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73423	4.5
59.01393	11.0
61.98837	69.0
62.82481	4.3
69.03451	5.1
71.01394	11.2
79.06778	4.6
81.83334	4.3
85.03011	5.2
87.00973	5.0
92.10141	6.7
97.02956	12.1
113.02476	5.5
123.08158	5.8
124.94705	4.9
125.09681	5.0
142.02756	5.4
163.11307	23.7
171.10336	43.3
179.10730	10.8
185.11948	6.3
197.11931	17.6
201.11375	9.6
207.10320	75.2
209.11844	12.2
211.13585	6.5
237.71425	5.5
239.12944	58.8
244.88518	6.8
253.09270	35.0
271.15521	6.2
273.17120	100.0
291.19699	76.7
297.20728	6.1
307.19138	20.5
309.20773	93.7
325.20230	5.7
421.39520	5.4
742.64142	5.6
747.78015	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	818.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14375	0.7
59.94668	0.7
61.98837	100.0
92.10181	1.1
96.96027	1.3
97.87504	1.0
99.59157	0.8
106.15420	0.9
125.02530	0.9
126.60940	0.9
171.10315	1.3
197.11913	1.1
209.11902	1.4
480.42023	1.0
665.96893	1.1
695.93274	1.0
801.93433	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	818.4195
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98838	100.0
64.17757	0.1
90.98418	0.2
97.68369	0.1
135.42625	0.2
169.12383	0.2
197.34047	0.2
209.11839	1.0
210.12172	0.3
292.20190	0.2
309.20850	0.2
310.21127	0.2
438.33771	0.2
638.59180	0.2
695.29376	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2213
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.6
57.35340	0.4
59.01380	1.8
65.00347	2.0
68.17557	0.5
71.01394	0.9
72.34431	0.3
73.02948	0.4
76.24341	0.4
79.99549	0.4
83.01410	2.0
85.02953	6.3
87.00877	2.5
92.30668	0.5
97.06598	2.9
101.02415	0.6
107.01384	3.5
107.05058	0.7
108.02187	1.0
109.02956	2.4
111.00890	2.0
119.05037	0.6
121.02959	10.3
121.03740	0.8
122.03730	1.1
123.04466	0.5
129.01944	2.9
135.00919	1.0
137.02475	0.5
147.04558	3.4
148.01680	1.0
149.02524	0.7
151.00380	19.4
163.00371	4.6
163.04027	1.8
164.01234	0.7
164.04845	0.6
169.01450	0.9
178.99879	9.0
183.04543	0.8
185.06261	0.4
187.04036	0.5
191.03467	0.7
193.04985	0.4
199.04001	0.8
201.05620	0.7
204.35670	0.4
205.03551	2.2
211.03954	0.9
215.03484	0.6
219.10362	0.8
223.04617	5.7
226.02786	0.7
227.03529	4.7
229.04980	1.8
243.03027	8.5
244.03233	0.5
245.04544	2.8
254.02312	1.0
255.03015	28.5
256.03543	0.6
271.02536	55.9
272.03229	1.1
273.04105	1.8
283.02438	3.2
284.03253	1.0
285.04300	0.6
299.02271	1.0
300.02802	100.0
301.03580	64.3
301.07208	0.6
302.03882	1.1
309.09988	1.0
351.10846	0.7
366.04037	0.5
369.08353	1.1
369.12070	10.8
447.09433	98.1
448.09747	2.8
457.63754	0.5
621.51532	0.6
719.74927	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00613	0.5
58.21479	0.6
59.01389	100.0
61.98838	16.6
71.01413	3.0
73.02954	0.7
77.12531	0.7
87.00903	0.7
87.20872	0.5
89.02472	2.6
90.21613	0.5
97.85959	0.6
101.02477	2.7
113.02490	0.9
125.02489	1.2
141.01717	35.7
144.85921	0.9
197.11885	5.5
197.24329	0.6
207.10318	0.8
209.11923	1.3
235.08228	0.8
277.21774	9.0
291.19574	1.2
309.20798	1.3
338.48795	0.6
359.21970	3.9
360.30356	0.6
397.13638	10.4
415.14740	0.9
419.11771	1.3
437.12854	2.3
438.61429	0.6
510.85083	0.6
675.36304	0.9
697.33887	3.4
750.94617	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.2006
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	2.3
58.87066	0.4
59.01390	0.9
69.19083	0.4
71.01426	0.6
85.02979	0.6
87.00889	5.5
91.01858	0.4
92.05016	0.5
93.03443	1.0
102.68534	0.6
106.04265	3.4
107.05038	18.3
108.01530	0.5
108.02209	2.5
109.02969	5.5
111.67657	0.5
121.02956	4.7
123.04534	3.8
125.01521	0.7
125.02444	18.9
127.88385	0.5
133.02977	0.9
133.06596	11.5
134.03833	0.5
135.04527	4.2
137.02431	4.9
149.02492	1.2
149.04903	1.0
149.06099	27.9
151.04021	4.3
159.04579	0.8
161.02475	5.7
163.03979	0.9
164.01202	0.9
165.01872	0.7
168.00624	0.7
172.05305	0.6
175.04034	2.4
177.05591	33.4
179.03516	51.6
187.04047	1.2
188.04898	0.8
193.05023	0.7
195.06627	4.5
203.07233	1.9
205.05115	1.2
221.04553	2.1
223.04852	0.6
229.05037	0.8
237.09189	0.5
239.05646	100.0
245.04512	0.9
245.08183	4.3
255.03043	0.8
256.03778	0.7
273.04102	0.6
283.02356	0.8
287.05643	2.0
289.07202	10.1
339.08685	0.7
359.13327	0.6
370.32397	0.6
407.07751	10.4
425.08881	9.0
447.11234	1.0
451.10486	3.2
532.01917	0.6
577.13361	8.4
658.76935	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01416	1.0
61.98842	100.0
72.49722	0.9
91.58299	0.9
114.46822	0.9
125.02422	1.3
141.84958	0.9
152.75865	0.8
207.10414	1.2
209.11795	7.5
210.12204	3.0
293.21552	1.0
528.59192	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	11.6
59.01395	18.1
68.85593	3.2
71.01398	7.6
73.02972	5.3
83.01419	4.8
85.02955	3.2
85.75407	3.8
87.00874	100.0
93.03446	4.3
95.01402	3.2
95.05066	4.8
101.02445	4.7
109.02930	8.7
121.52913	3.3
123.04493	8.3
125.02427	70.9
126.02843	3.4
130.99915	3.3
131.27701	3.2
133.01425	3.9
135.04469	3.3
137.02441	30.7
139.04031	4.2
151.04008	17.3
161.02448	7.6
163.00400	30.2
163.04001	6.3
164.01163	22.8
165.01921	36.2
167.03534	5.9
169.01430	15.7
175.03931	6.0
177.01944	21.5
181.05087	20.0
181.08676	6.0
185.06183	4.7
188.04837	4.3
201.05602	42.0
203.03630	5.7
203.07277	6.7
211.04016	6.1
213.05574	25.3
215.03569	7.7
225.05621	5.8
227.03522	5.5
227.07047	4.8
229.05093	39.8
231.06590	8.7
239.03456	4.3
240.04164	3.9
241.05055	52.2
243.03006	7.7
245.08229	7.0
255.06714	6.5
257.04495	30.1
265.05075	4.5
267.06607	4.5
269.04587	52.6
273.07611	4.0
281.04584	6.0
289.07306	15.9
295.06372	4.3
297.04071	5.4
309.07568	7.7
359.05249	4.8
395.07901	4.5
401.05167	8.6
503.04822	3.9
527.08398	63.1
711.37054	4.0
756.53809	3.6
785.50397	3.7
817.16589	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.89967	0.5
59.01396	2.3
61.98838	100.0
78.95920	2.7
83.05054	0.7
96.08317	0.6
109.06596	0.7
116.92873	0.5
130.53867	0.6
140.01234	1.1
163.11275	0.7
197.11839	2.2
209.11931	5.1
210.12181	0.6
291.19662	1.2
292.88779	0.5
293.21295	4.0
307.19476	0.5
309.20908	0.8
310.21054	0.8
311.22409	2.8
325.20187	0.6
383.95490	0.6
429.57870	0.6
583.26459	0.6
816.46967	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	816.404
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	0.6
60.11958	0.3
61.98840	100.0
63.33902	0.3
77.60451	0.3
78.95915	1.4
83.05059	0.3
83.18612	0.3
89.56906	0.3
109.37055	0.3
163.11259	0.4
171.10287	0.5
207.10396	0.5
209.11847	1.8
210.12202	0.8
215.82863	0.4
247.20093	0.4
309.20514	0.4
517.16309	0.4
816.46375	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37337	0.7
59.01406	4.5
61.98842	100.0
65.32879	0.8
71.01417	1.1
81.87057	0.8
94.64008	0.9
103.08715	0.9
110.80837	0.8
125.02455	1.2
127.14236	1.0
130.77374	0.9
131.24673	1.0
135.20079	0.9
165.39856	0.9
171.10342	4.5
177.68657	1.0
207.10399	1.2
209.11885	25.4
210.12155	10.3
210.27309	0.9
210.51270	0.8
211.13515	7.5
212.13692	1.5
227.12846	3.3
254.11053	0.9
291.19800	8.4
292.20111	3.7
570.65790	1.0
805.32642	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.16101	1.4
58.31381	1.6
59.01380	17.7
61.98848	10.2
64.48749	1.5
67.88223	1.4
69.07302	1.3
71.01379	6.4
81.03450	1.6
82.09367	1.5
83.05035	8.4
89.02462	3.4
92.10107	3.6
101.02457	6.6
111.08189	1.9
120.43239	1.4
125.02448	2.5
153.12881	4.0
163.11320	7.5
165.12857	3.1
168.07422	1.6
171.10187	2.3
179.14388	1.9
181.12297	3.3
197.11876	3.5
199.13423	1.6
207.13966	6.0
209.11855	100.0
211.13454	2.8
225.11299	2.3
227.12839	14.8
235.08272	3.9
247.20627	3.3
253.09280	9.7
273.18689	2.0
281.21085	2.2
291.19678	39.9
309.20767	89.7
310.20908	2.1
345.57065	1.8
379.61630	1.7
453.53238	2.1
527.29242	2.2
545.29810	24.1
737.40778	2.8
755.41321	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	815.445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.4
58.00626	0.5
59.01390	6.6
61.59018	0.3
61.98849	0.8
69.03484	0.4
71.01385	3.7
73.02965	0.4
73.88071	0.3
80.02692	1.7
81.03483	1.0
82.39748	0.4
83.01414	0.5
83.05037	5.4
84.02198	0.8
85.02962	0.8
87.00934	0.4
89.02425	3.7
92.10745	1.0
95.05037	0.6
97.06572	0.5
101.02439	4.9
109.06643	0.6
111.08166	9.9
113.02470	2.0
119.03481	1.5
123.08121	0.4
125.02450	0.5
125.06091	0.6
125.09712	0.4
127.07698	0.4
135.08163	0.6
148.71410	0.4
153.09241	0.4
153.12807	0.6
161.04593	1.0
163.11293	5.4
165.12898	2.9
167.10696	0.6
169.12367	4.9
171.10307	0.9
179.05678	0.5
179.10750	0.6
181.12363	2.2
183.13934	0.8
191.10785	0.7
197.11862	46.7
199.13454	3.3
209.11868	100.0
210.12230	1.4
211.13438	8.3
227.12926	12.2
235.08267	2.2
253.09326	12.8
263.20145	1.8
265.18127	2.1
273.18619	0.5
286.85895	0.4
291.19702	14.8
293.21234	0.5
309.20761	45.1
433.21075	0.7
445.20544	0.9
545.29913	1.7
649.10022	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.4452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.2
59.01386	4.0
61.98849	0.6
69.03474	0.3
71.01379	2.9
71.01711	0.2
73.02976	0.6
80.02691	1.2
81.03455	1.4
83.01410	0.6
83.05032	5.1
83.05539	0.2
84.02177	1.2
85.02980	0.8
86.41710	0.1
87.00895	0.3
88.05542	0.2
89.02451	2.5
93.03481	0.2
95.01408	0.2
95.05031	1.0
97.02973	0.6
97.06606	0.7
101.02450	2.9
107.05059	0.1
109.06595	0.6
110.03723	0.2
111.08176	0.3
113.02481	1.1
119.03536	0.6
123.08179	0.2
125.06102	0.6
125.09741	0.7
127.11330	0.2
127.98593	0.2
135.08197	0.8
137.09802	0.3
143.03528	0.3
145.05186	0.2
153.12894	0.2
161.04533	1.1
162.10562	0.2
163.11311	6.4
165.12866	5.3
171.10265	1.1
175.11237	0.3
175.96761	0.2
179.05623	0.2
179.14493	1.0
181.12361	1.9
191.10780	1.1
191.14348	0.1
193.16017	0.3
197.11794	1.1
207.10275	0.3
209.11868	100.0
210.12242	1.1
211.13460	0.7
223.13438	0.9
225.11299	0.2
227.10652	0.3
227.12910	8.6
235.08276	1.8
237.15134	0.2
247.20750	3.0
253.09344	6.2
273.18774	0.6
277.49792	0.2
291.19720	26.0
307.19177	0.3
309.20773	30.5
310.21051	0.3
311.20422	0.2
329.21329	0.7
337.12894	0.2
347.22189	0.9
398.87305	0.2
445.20749	1.5
527.29065	0.3
655.74500	0.2
719.40692	0.2
737.41296	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.7
57.34638	1.2
59.01379	12.6
59.10418	1.6
61.98844	1.6
69.56048	1.5
71.01383	7.1
73.02932	1.9
75.00872	1.7
83.05058	6.2
89.02465	6.4
92.10774	4.4
93.27875	1.6
97.02963	1.8
97.06599	2.1
101.02444	8.2
106.62717	1.5
109.00246	1.5
109.06586	7.2
111.08166	2.6
151.11295	3.3
153.09267	2.1
155.10811	2.4
161.04570	2.9
163.11348	12.0
165.12845	7.8
175.50815	1.6
181.12302	7.3
191.10814	2.9
191.14349	2.0
197.11870	2.3
207.10291	16.3
209.11862	100.0
225.11258	3.3
227.12993	14.1
245.19067	8.2
253.09282	7.0
263.20169	8.9
289.18073	13.9
291.19592	3.8
307.15961	2.5
307.19202	31.2
309.20712	8.3
343.93417	1.9
445.20871	2.9
543.27985	9.1
717.39117	6.1
735.39862	3.6
753.40710	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.5022
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	17.0
71.01398	14.0
71.78918	1.7
72.99337	2.9
75.00892	15.6
80.78882	1.6
85.02954	17.3
87.00870	1.8
87.54064	1.7
93.35918	1.7
95.01415	2.1
99.00899	7.5
99.08202	2.1
99.95612	1.8
109.62583	1.8
113.02467	18.4
116.92867	2.0
117.01899	2.7
127.07619	1.9
135.64427	1.8
185.04689	1.6
209.11850	11.3
222.10159	1.8
249.06332	2.1
255.23358	74.5
262.53830	1.9
295.39011	1.9
307.19055	2.2
403.04166	1.9
465.88843	1.9
505.30295	1.7
529.38336	2.1
539.24567	1.8
813.50214	100.0
814.51447	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	814.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01345	0.3
60.30064	0.2
60.30370	0.2
61.98839	100.0
96.95998	0.4
117.66271	0.2
124.84908	0.2
130.48392	0.3
158.78033	0.2
178.07118	0.3
209.11839	0.4
255.24344	0.2
299.94092	0.2
299.97656	0.3
368.24731	0.2
371.41254	0.3
455.69540	0.3
647.83331	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	815.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
60.27930	0.7
64.60633	0.8
66.17466	0.8
71.01385	1.2
83.17211	0.9
87.00872	27.4
87.01366	1.4
90.37964	0.8
92.68322	0.9
97.06581	4.1
98.64452	0.7
121.02984	2.0
123.04526	3.8
125.02467	3.6
130.99852	6.7
146.03734	6.1
147.04549	3.4
149.06056	0.9
151.00397	1.3
161.02426	1.0
163.07709	1.8
169.01414	1.0
169.50638	0.9
172.05295	2.0
173.06143	1.6
174.03210	1.6
175.04050	1.7
175.07645	20.9
178.99875	1.0
186.06894	1.3
187.07651	4.7
188.04781	2.1
189.05615	1.8
189.09277	1.0
190.06335	7.6
191.10783	1.6
200.04797	12.3
201.05702	0.8
201.09245	9.6
203.07114	7.0
204.04263	1.1
204.07944	3.7
214.02774	1.4
215.07156	1.6
216.04179	1.0
216.07896	1.5
217.08794	6.3
219.10300	15.0
227.10846	4.5
228.07990	1.2
229.08717	29.8
242.02235	1.1
243.02885	1.3
243.10262	1.1
245.08165	3.4
245.11911	1.8
247.09792	3.7
254.04401	1.6
259.02548	1.0
261.11319	1.4
264.78769	0.8
268.32037	0.9
270.01593	1.8
271.02524	12.3
271.09848	3.3
273.07675	15.8
287.02023	6.1
289.10916	1.6
316.02292	30.1
317.02960	5.6
319.84464	0.9
333.09851	5.2
351.10904	100.0
463.08975	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	813.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.7
61.39561	1.1
61.98866	0.9
69.03477	1.2
71.01390	5.0
73.02969	1.2
80.02693	1.3
81.03475	2.0
83.05030	7.8
92.66152	1.3
97.02930	2.5
97.06583	1.6
101.02473	5.2
109.06578	13.1
111.08192	1.7
113.02468	1.4
123.04529	2.4
125.02458	1.7
125.09730	2.2
129.35971	1.1
135.08168	1.5
137.09778	1.2
139.18599	1.2
142.02762	1.1
151.11311	1.1
161.04559	2.1
163.11272	14.5
165.12865	5.1
169.12418	1.3
171.10300	1.6
181.12410	5.4
185.11771	1.8
191.14429	2.5
197.11859	16.5
199.13414	1.1
207.10295	30.5
209.11874	100.0
211.13419	1.4
217.15976	1.2
225.11366	17.3
227.12927	13.2
235.08199	1.6
245.19286	7.6
253.09349	10.4
263.20129	4.9
289.18115	26.6
291.19659	6.8
307.19202	23.8
309.20892	15.2
326.55139	1.2
402.89041	1.0
461.20358	3.9
637.32599	1.5
753.40802	13.7
817.07452	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	813.429
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.6
59.01386	19.2
61.98850	1.2
62.18144	0.9
64.35076	1.1
64.44840	1.0
71.01380	9.7
71.05038	1.2
80.02677	1.9
81.03487	1.8
83.05047	2.5
83.08568	0.9
84.18233	0.9
85.02968	2.5
89.02465	6.1
92.10803	2.4
95.01450	1.0
95.05019	1.6
97.02955	11.4
97.06625	1.5
99.00910	1.2
101.02461	9.2
108.72562	0.9
109.06606	35.9
110.03753	1.3
110.64915	0.9
113.02454	4.2
121.06622	2.2
123.08185	2.5
125.09739	4.8
135.08151	6.0
136.05321	1.3
142.02705	4.0
145.43770	1.1
153.12720	1.1
154.91228	0.9
161.04510	1.1
161.09744	2.3
163.11310	25.0
165.09229	1.6
165.12907	7.7
171.10262	5.3
179.10748	1.3
179.14442	1.4
181.12376	10.1
185.11845	5.1
189.09042	1.1
207.10310	100.0
209.11861	16.5
223.13455	1.5
225.11363	43.7
235.08250	1.8
247.20743	9.5
253.09373	10.1
273.18750	1.8
281.14035	1.7
289.18182	5.4
291.19717	82.3
292.19809	1.2
299.14996	2.3
307.19278	2.3
309.20801	63.7
313.17868	1.3
329.21194	1.7
331.19528	1.3
345.20685	1.7
347.22147	3.6
405.17850	1.2
443.18994	1.9
461.20465	12.2
499.30664	6.2
517.32349	1.5
527.28613	1.4
569.30469	1.3
717.39032	4.9
735.40033	15.5
753.40765	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
61.66336	69.2
72.91953	70.5
76.57681	75.3
138.93498	82.7
235.18550	84.5
497.46585	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	811.2777
Annotation	Unknow
Peak:m/z	Relative Intensity
57.17258	1.3
59.69128	1.3
61.98840	2.0
62.21547	1.4
63.59454	1.3
93.03471	7.5
119.04966	2.0
125.02458	3.8
149.99370	1.6
151.26938	1.5
209.26025	1.9
211.13353	2.1
225.05713	1.9
253.05324	1.9
267.06689	3.5
278.98877	2.2
283.05933	1.9
305.96768	1.6
329.12061	2.9
387.08167	1.7
388.09647	8.8
401.10535	2.7
423.16183	6.2
453.13284	1.9
495.14590	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	811.2832
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	4.7
58.83472	0.8
59.01392	3.9
69.03463	1.9
80.30634	0.8
81.03455	3.2
83.01397	4.0
85.14771	0.9
87.00746	0.8
91.56998	1.0
91.69503	0.8
93.03452	1.0
95.05022	1.2
97.02962	4.9
105.04216	0.9
107.01302	1.0
107.05057	1.0
109.02959	11.9
110.47432	0.8
121.02987	1.5
123.04547	9.4
125.02448	100.0
133.02968	1.1
135.04517	1.7
137.02464	13.8
139.04042	2.2
145.02977	6.8
149.02432	4.6
151.04033	11.2
159.04520	3.9
161.06073	4.8
163.04034	2.2
164.01225	2.0
165.01917	4.0
169.01448	80.1
175.04082	1.6
177.01854	1.2
179.03497	5.2
185.06161	1.4
187.03987	4.9
188.04805	1.4
193.01440	5.9
202.06306	1.0
203.07162	10.8
205.05130	7.2
221.08223	1.9
227.07220	4.5
245.08212	13.9
259.06042	1.2
271.06161	14.7
289.07217	31.8
297.07596	1.3
364.39325	0.9
372.07071	0.9
441.08298	1.2
461.19635	1.8
479.20801	1.4
631.22321	1.0
641.25842	3.8
659.27087	9.9
811.28375	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	811.4499
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54460	2.6
59.01393	16.1
63.61707	2.7
69.03474	3.9
71.01402	4.5
81.03402	2.9
83.01398	3.0
84.55930	3.0
111.08186	5.2
122.46133	3.5
158.06401	3.1
167.10796	4.7
169.12334	5.1
190.33144	3.2
195.13959	17.6
197.11819	46.4
205.12334	7.0
207.08278	3.4
211.13368	5.6
223.13449	100.0
235.08200	3.8
253.09341	12.9
291.19757	7.7
309.20746	37.1
459.22131	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	807.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00592	3.2
59.01395	4.9
60.56890	2.6
65.75237	2.6
71.01395	4.3
101.02457	6.3
116.92878	24.3
120.31963	3.4
157.16891	2.9
165.12910	3.3
168.46147	3.3
180.76543	3.0
197.11891	15.8
199.13416	6.9
209.11864	100.0
215.13167	3.6
227.12892	38.4
229.14398	12.5
253.09233	6.1
257.33615	3.0
289.18256	3.5
307.19138	25.6
374.12772	3.3
433.20490	5.9
445.20828	5.9
463.21811	5.9
543.28223	5.3
610.52667	3.3
628.65991	3.4
633.60693	3.2
637.32385	12.6
655.33826	6.2
673.34473	3.7
753.40930	11.5
807.39581	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	807.3956
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01419	8.3
60.36589	6.0
61.98845	28.8
65.02268	6.2
68.94420	5.9
71.01383	8.0
76.53372	6.5
83.05015	9.9
85.81802	6.6
101.02508	7.7
105.95204	7.3
116.92885	53.9
168.84799	8.1
179.07251	7.2
181.12579	6.9
197.11821	29.1
209.11864	100.0
227.12892	53.2
229.14398	13.6
307.19156	37.4
365.17307	8.0
463.21710	10.3
521.36859	7.3
637.32556	12.2
655.33643	26.2
753.40717	13.4
807.39362	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	807.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	13.4
71.01406	17.6
77.07358	10.6
78.20901	10.6
78.95926	9.9
79.60788	11.3
81.03442	15.8
88.80357	12.0
98.19300	12.2
103.41759	11.6
105.65417	11.9
109.06602	16.6
112.25953	10.9
153.94769	12.4
197.11850	16.3
202.72188	12.6
205.87788	11.7
207.10403	25.8
209.12015	42.9
291.19870	28.5
307.19312	21.7
309.20840	100.0
339.77985	12.9
588.77557	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	807.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.5
62.64062	0.2
71.01395	0.7
73.02942	2.2
84.95126	0.3
91.63233	0.3
92.10886	0.6
98.53882	0.2
99.00881	1.2
99.16041	0.3
99.92587	7.0
114.93380	0.4
116.92859	100.0
117.01937	3.0
117.92888	0.6
125.04668	0.3
197.11841	0.5
198.12117	0.3
200.66235	0.3
207.10164	0.3
209.11838	1.9
222.16843	0.3
394.93564	0.3
396.97375	0.3
429.58881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	807.3961
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.6
59.01390	16.0
61.98847	4.2
69.69717	1.6
70.18424	1.7
71.01395	22.1
73.05748	1.7
73.87910	1.7
78.95939	2.4
81.03466	2.3
83.05057	3.0
85.02982	3.0
89.02484	8.2
97.02975	6.9
97.06639	2.9
101.02486	7.5
109.06599	18.7
113.02502	2.7
113.09774	2.8
116.92898	2.3
123.04534	2.7
135.08223	2.8
141.09196	2.8
161.09749	2.2
163.11299	14.3
167.14444	3.1
171.10220	2.1
181.12392	6.9
183.27896	1.7
195.13985	2.7
197.11736	2.3
199.09851	2.2
207.08353	2.1
207.10303	57.5
209.11884	26.3
211.13411	15.0
221.15422	2.7
225.11357	27.5
227.12946	7.0
229.14529	3.0
235.08342	3.7
247.20818	3.3
253.09361	10.8
273.18658	3.3
289.18143	8.9
291.19714	46.8
294.39978	1.8
307.19205	24.6
309.20795	100.0
461.20435	8.7
481.29843	3.2
499.31476	3.1
543.28723	2.3
545.29761	11.4
612.24329	1.8
613.16675	1.8
673.93414	2.1
735.39655	7.5
753.40558	20.8
754.41797	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	805.3865
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	1.0
57.71935	0.9
58.00609	0.9
59.01384	28.1
68.99557	1.8
69.03464	1.7
71.01375	20.1
71.01733	1.6
72.99316	1.4
73.37640	1.0
75.00842	1.1
76.31259	1.0
80.02695	1.2
81.03463	0.9
82.95431	4.6
83.01402	4.3
83.05047	6.8
84.02169	1.5
85.02976	5.1
87.00870	5.3
89.02441	17.5
96.96038	1.4
97.02947	1.8
101.02421	13.1
104.85526	1.2
109.73271	1.2
112.98562	1.5
113.02457	9.5
114.93407	20.1
115.00424	1.9
116.92876	2.0
119.03532	2.6
125.02469	5.4
143.03535	2.1
153.12869	1.2
161.04527	4.0
163.11290	7.4
165.12898	1.4
169.12337	10.0
171.10245	1.4
175.15225	1.2
176.50250	1.1
179.05571	2.6
197.11856	97.1
209.11865	100.0
221.06697	1.7
227.12927	15.1
235.08273	4.7
304.99182	1.2
305.08679	1.2
308.28220	1.3
325.20807	1.2
379.12491	4.6
387.47702	1.3
397.13553	29.8
402.89783	1.1
415.14465	10.5
595.25708	2.5
811.89362	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.4157
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	13.6
59.15571	8.3
61.98841	65.6
71.01382	19.8
90.11470	8.9
132.89699	11.3
207.10257	62.2
209.11855	100.0
225.11357	46.6
227.12891	12.0
291.19595	24.0
307.19775	11.2
323.22379	19.3
371.93442	10.8
592.01685	11.7
805.41754	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	805.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	2.4
61.98837	2.4
65.91496	0.9
71.01373	2.3
80.91705	1.0
82.95428	6.5
101.02464	2.6
105.65303	1.0
113.02438	1.4
113.46823	0.9
119.37781	1.0
137.30968	1.0
148.32443	1.0
152.73184	1.0
183.13904	2.2
195.13911	10.9
203.10301	1.0
223.13324	12.9
237.11105	1.3
249.11150	14.4
253.09268	8.8
267.12137	4.1
275.20166	6.4
293.21268	100.0
294.21542	1.5
467.18985	1.3
485.20377	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	805.3806
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.4
59.01389	7.6
60.58043	2.7
60.97997	2.9
61.98841	15.2
71.01398	25.7
78.95932	4.5
81.03474	4.3
83.05035	6.2
87.00879	4.0
89.02459	5.5
97.02931	4.6
97.06590	4.1
101.02469	3.6
104.03571	2.9
109.06602	20.9
121.06641	3.5
125.02423	3.9
125.09718	6.3
128.94205	3.1
151.04030	4.7
151.07661	13.0
163.11305	16.1
171.10323	13.5
171.65630	3.8
181.12340	6.7
185.11761	6.7
189.16518	3.4
191.14388	3.4
201.11412	4.9
207.10284	54.3
209.11880	100.0
225.11333	25.3
227.12910	17.9
234.51688	3.4
245.19109	4.7
253.09349	20.0
287.16510	18.0
289.18082	39.2
305.17697	28.7
307.19244	24.3
461.20218	5.3
538.28662	4.0
539.39008	3.3
751.39526	14.6
752.38965	4.3
771.89709	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	805.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	5.9
59.01398	6.4
61.98840	100.0
63.99236	6.0
71.01398	10.6
74.96394	5.2
75.29922	4.6
85.02962	5.5
109.06636	9.1
148.58885	5.9
163.11290	7.9
167.75409	6.6
197.11943	10.7
207.10342	49.3
209.11961	25.0
225.11400	34.7
253.09479	8.0
289.18091	14.6
307.19138	14.8
348.48270	6.0
504.48444	6.0
595.77576	6.4
630.14380	9.1
666.60034	6.4
668.79126	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	805.3801
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	11.6
61.98844	36.8
65.55510	5.6
71.01399	40.8
78.95927	6.4
82.88654	5.8
83.05045	10.4
107.05032	7.0
109.06614	7.1
125.02426	13.9
151.07683	36.1
168.45621	7.4
168.47141	6.1
171.10272	26.1
207.10274	27.6
209.11880	100.0
210.12250	9.5
222.66046	6.8
225.11324	8.9
305.17694	9.0
523.46307	7.0
524.52057	6.6
705.12921	6.9
730.43066	9.9
731.43512	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.6
61.98834	11.9
65.46721	4.8
68.73198	5.0
85.99036	6.0
87.08709	4.9
103.53813	5.9
119.61190	5.5
195.13852	11.2
253.09500	6.9
277.21866	10.2
291.19653	100.0
293.21371	56.7
758.91443	6.5
805.80841	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	805.2942
Annotation	Unknow
Peak:m/z	Relative Intensity
58.17456	0.8
59.01375	1.2
65.15837	0.8
79.63866	0.9
88.94422	0.8
107.01521	1.1
109.02969	6.1
121.02974	1.7
123.00888	1.7
125.02427	5.2
136.01704	1.6
137.02444	28.0
144.82182	1.0
149.02492	1.1
150.03239	2.1
151.00374	12.5
151.04002	8.0
152.01195	2.0
152.04819	1.4
161.02498	1.2
162.03227	1.3
164.01173	1.7
165.01942	100.0
165.05551	7.4
166.02725	35.7
167.03508	3.6
175.04010	3.8
177.01964	1.8
179.03534	22.9
179.06946	1.1
180.04298	62.2
181.05093	45.4
187.03973	1.1
191.03560	1.1
193.05023	1.9
194.05928	4.4
195.02985	2.2
195.06651	64.6
205.05074	6.7
206.05820	1.0
210.05382	11.1
219.06667	1.0
220.07423	6.0
225.07719	35.5
290.10153	1.0
351.38858	1.0
359.11362	3.6
370.04453	0.9
387.10550	8.2
387.15106	1.8
402.13269	5.9
416.14984	1.2
417.15613	34.0
497.29956	1.0
565.18030	1.4
580.19867	1.6
595.21918	39.8
606.58148	1.0
643.24207	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	805.3514
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	0.5
58.00611	0.2
59.01387	57.2
59.80242	0.1
61.44629	0.1
69.03458	0.1
70.12132	0.1
71.01382	8.7
72.99326	0.4
73.02943	2.5
75.00869	0.1
83.01393	2.2
85.02955	4.5
86.00093	0.4
87.00869	0.6
89.02444	4.3
90.96568	0.1
95.01381	0.8
97.02950	0.3
99.00880	1.1
101.02437	9.5
108.02184	0.5
109.02950	0.4
111.00885	0.4
113.02448	4.3
117.05526	0.2
119.03508	2.1
123.08151	0.4
125.02462	0.4
125.40216	0.1
129.01912	0.1
130.26868	0.1
149.04520	0.1
149.09709	0.6
152.01155	0.7
159.02972	0.6
161.04565	1.4
165.12875	0.2
167.10754	0.5
187.58551	0.1
197.00681	0.1
209.11835	0.8
227.12883	0.8
237.11494	0.1
286.57654	0.1
286.61014	0.1
329.16153	0.8
371.16986	1.0
389.18237	100.0
390.18619	1.1
415.12424	0.9
609.10101	0.1
656.33417	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4453
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00625	2.6
59.01390	27.7
61.98851	2.4
69.03456	2.6
71.01392	100.0
73.02935	3.7
74.41630	2.3
80.02745	3.0
83.01420	4.1
83.05040	10.8
84.02187	4.9
85.02960	4.8
86.02709	2.0
87.00878	5.1
89.02448	3.9
96.96036	3.2
97.02966	9.4
97.06595	22.2
99.00897	3.6
101.02449	18.8
107.05053	3.6
109.06594	23.6
113.02431	3.3
125.02448	3.8
125.06090	13.2
125.09708	18.3
127.11315	3.0
130.44231	2.2
135.08170	3.3
161.04570	2.8
163.11317	19.8
165.12851	3.8
169.08783	3.7
171.10292	55.8
179.10873	2.3
181.12323	4.7
185.11789	5.6
193.12312	9.9
197.11865	5.0
199.09793	4.3
199.13377	5.0
201.11382	30.3
206.95811	2.3
207.10335	45.0
209.11873	96.6
211.13414	14.7
215.12781	2.6
225.11411	32.3
225.15007	15.4
227.12874	12.9
241.14493	22.5
243.16115	5.1
253.09325	26.3
266.13602	2.5
305.17590	3.3
321.17258	3.5
341.23383	86.2
363.44516	2.4
461.20413	5.4
785.42725	10.3
789.26202	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	803.445
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	2.4
59.01377	25.7
61.98829	3.6
64.61910	2.0
69.03474	3.0
69.30871	1.9
70.90623	1.9
71.01392	100.0
72.99337	1.9
78.72859	2.5
81.03493	5.1
83.01401	2.8
83.05049	8.6
84.02174	2.6
85.02985	4.9
87.45338	2.0
89.02471	10.6
92.10794	6.8
92.82777	2.2
95.05069	2.8
96.96046	5.0
97.02973	9.5
97.06600	13.3
99.00912	3.5
99.04545	2.9
101.02457	14.5
109.06605	15.1
113.02489	3.8
123.08211	2.7
125.06085	12.2
125.09750	14.5
127.11290	4.9
131.72331	2.1
135.08139	2.9
137.40591	2.2
139.07686	4.6
158.96483	2.0
163.11317	22.4
165.12871	3.2
168.61795	2.2
169.08740	5.7
171.10275	68.9
177.09264	2.5
181.12297	4.7
185.11855	3.0
191.10843	2.9
193.12358	14.0
197.11838	4.5
199.09833	2.9
199.13530	3.1
199.88269	2.1
201.11398	25.8
207.10289	52.2
209.11873	90.0
211.13487	13.1
225.11360	46.2
225.14989	14.6
227.12918	9.8
235.08174	5.2
241.14513	16.4
243.16057	4.7
253.09312	13.4
341.23392	87.1
360.72168	2.5
373.91061	2.5
444.70453	2.6
461.20401	9.6
654.67072	2.5
785.43274	9.6
791.43365	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	803.4446
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	34.6
62.14586	4.8
63.72493	4.1
71.01395	100.0
80.96541	5.6
88.74165	4.0
89.52232	4.4
97.02950	9.6
101.02493	8.8
107.35085	5.4
109.06615	18.1
125.09740	5.3
135.08224	4.8
136.56944	4.5
141.01764	5.6
151.07684	5.6
163.11337	20.2
165.12933	7.0
171.10338	35.2
177.05602	7.2
178.24170	5.7
181.12320	9.3
183.13908	7.3
197.11829	8.6
199.13579	5.7
201.11282	8.1
207.10312	49.9
209.11946	49.0
223.13496	8.1
225.11317	35.4
227.12958	9.3
243.12405	9.2
253.09364	7.7
291.19772	49.9
309.20816	55.2
314.92233	5.8
340.40253	5.2
347.22070	4.9
461.20364	8.0
754.42072	6.5
767.40259	5.4
769.35968	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	803.4442
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	5.2
61.61295	0.9
71.01385	4.5
80.02682	1.6
81.03448	1.0
82.95354	1.0
83.05029	6.2
84.02196	1.2
85.02941	1.7
89.02453	3.8
96.95988	1.2
101.02457	4.7
107.05066	1.0
113.02419	1.5
121.79099	0.8
125.06111	0.8
125.09699	3.2
127.07684	1.1
153.09215	6.3
161.04625	1.0
163.11311	7.2
165.12778	2.1
169.12389	1.2
171.10249	9.4
178.10065	1.3
185.11839	4.2
186.92265	0.9
191.10709	1.7
197.11818	4.3
208.88930	0.9
209.11862	100.0
210.12306	1.1
211.13437	3.7
225.11388	1.3
227.12939	9.5
235.08243	1.3
238.12062	1.0
241.28432	0.9
253.09256	7.5
263.20349	1.7
289.18115	5.8
307.19202	30.5
325.20163	10.0
351.25665	1.1
430.94470	1.1
525.27148	1.8
543.28265	7.0
561.28894	1.5
649.48822	0.9
684.34845	1.1
735.40009	1.7
742.30286	1.0
753.40985	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	802.4249
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20731	0.6
61.98835	100.0
82.39772	0.7
87.19981	0.8
191.72153	0.8
209.11855	5.6
221.55284	0.8
277.21698	2.7
278.22238	1.6
536.44495	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	803.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.9
58.00606	2.7
59.01382	19.3
59.01649	0.9
61.98827	1.1
69.03471	1.2
71.01378	60.1
71.05013	1.1
72.02191	2.9
72.99323	1.1
73.02943	5.0
75.00860	0.9
78.86023	0.6
80.02693	1.7
81.03480	3.9
83.01398	5.5
83.05024	12.7
84.01754	0.7
84.02165	5.6
85.02966	5.1
87.00861	7.9
89.02432	8.0
89.02854	0.6
93.03482	1.1
95.01374	1.2
95.05001	5.6
95.62791	0.7
96.65365	0.6
96.96021	1.5
97.02953	4.4
97.06581	15.7
98.03715	0.9
99.00862	8.4
101.02443	10.9
105.98785	0.7
107.05061	4.3
109.06598	11.1
110.03743	1.6
111.00845	1.0
111.08160	3.2
112.32933	0.7
113.02458	5.2
113.06102	0.8
113.98461	0.7
117.01455	0.9
119.03473	1.3
121.06562	3.6
123.04543	1.6
123.08172	4.9
125.02446	1.3
125.06076	17.4
125.09718	15.7
127.07640	0.8
127.11268	6.7
131.91087	0.8
133.06650	0.9
135.04521	0.8
135.08151	5.2
136.05302	0.9
137.09676	1.0
139.07669	6.9
141.09213	5.2
142.02722	1.6
143.07088	1.0
147.11743	1.2
149.06105	1.2
151.07643	3.7
153.09219	3.9
155.07126	1.2
155.10777	2.9
161.04572	2.9
161.09720	1.2
163.11282	18.3
165.09233	1.5
165.12883	6.0
169.08717	9.6
169.12334	1.1
171.10271	51.9
177.05594	4.3
177.09334	0.8
179.10764	3.0
181.12393	7.8
183.10202	0.7
185.11847	5.4
189.09261	1.0
191.10826	5.3
193.12357	4.5
197.11894	6.2
199.09816	6.1
199.13440	3.4
201.11325	30.8
207.10283	31.0
209.11856	100.0
211.13428	3.0
213.11360	1.3
215.12979	1.3
221.11798	0.9
222.49161	0.8
223.13551	1.1
225.11368	37.1
225.14969	3.6
226.12065	4.4
227.12924	9.3
235.08206	3.5
239.12991	1.0
241.14502	16.8
243.12477	2.6
243.15984	3.6
253.09317	16.5
277.18295	1.6
287.16708	1.0
287.23825	0.8
289.18182	0.9
296.71066	0.9
303.16016	1.7
305.17645	6.1
307.19464	1.1
321.17181	1.4
321.20569	1.5
341.23355	37.1
443.19620	1.3
461.20370	5.0
479.21414	0.8
627.86902	0.8
633.47113	0.8
734.98468	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	3.2
57.63332	1.7
59.01380	12.2
61.98863	2.6
69.21793	1.5
71.01385	4.1
83.05041	8.1
87.00867	2.1
89.02475	2.7
92.05692	1.9
97.06609	2.7
101.02459	3.3
113.02460	3.0
125.02423	7.4
125.09772	2.2
151.11186	1.9
153.09230	10.3
153.12880	2.0
161.62999	1.8
163.11266	3.5
169.12349	10.8
170.66107	1.8
171.10269	11.1
179.10786	2.2
185.11981	5.6
197.11862	100.0
209.11855	44.8
213.40720	1.8
227.12845	2.5
233.14655	1.7
253.09279	9.5
287.43600	1.8
289.18082	11.1
307.19208	42.4
309.20728	2.2
313.49771	2.1
325.20340	13.0
341.23172	2.7
379.99149	2.1
525.26471	2.3
543.28198	7.1
654.32758	2.7
723.39819	15.6
741.42084	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	802.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
56.97180	0.2
59.01377	0.3
61.98832	100.0
62.51661	0.2
67.50452	0.2
69.74650	0.2
71.01382	0.3
79.93714	0.2
92.10805	0.3
115.63612	0.2
136.23415	0.3
209.11868	1.3
210.12173	0.4
293.21149	0.4
294.21677	1.0
295.21875	0.3
496.40695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	802.4251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	1.0
61.98834	100.0
62.25794	1.0
81.19785	0.9
84.12888	0.8
84.17492	0.9
87.30154	0.9
88.03131	0.9
89.53570	0.9
119.16553	0.9
171.26956	1.0
209.11887	10.2
210.12227	4.0
227.12804	1.2
229.12451	0.9
277.21774	7.6
278.22049	3.9
346.41394	1.2
353.91293	1.2
356.23495	1.3
508.51837	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.9
61.98838	100.0
83.05023	0.5
85.47974	0.4
92.10822	0.9
107.73835	0.6
164.11569	0.6
194.39001	0.5
209.11856	4.2
210.12198	2.3
228.16483	0.5
237.33722	0.5
263.64166	0.6
281.01254	0.6
292.20004	0.8
293.21240	0.8
404.45651	0.5
411.00278	0.6
427.97577	0.5
428.03436	0.5
438.69629	0.5
440.07657	0.5
674.38513	0.6
686.91791	0.7
800.46674	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	0.5
59.01388	3.4
61.98834	100.0
71.01378	0.6
72.33503	0.5
89.37619	0.5
101.02455	0.5
109.06663	0.6
121.21857	0.4
125.02447	0.5
130.26520	0.6
139.99298	0.6
165.12721	0.5
197.11800	1.1
209.11884	8.6
210.12276	2.0
211.13437	5.6
212.13773	1.2
235.17056	0.8
253.09358	0.8
275.20294	2.0
276.20566	1.2
291.19632	0.9
293.21280	8.0
294.21527	4.9
309.20642	2.5
315.25769	0.6
390.13867	0.7
726.46527	0.6
800.46924	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	801.2255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.4
69.03471	1.9
70.97086	0.3
71.01360	0.4
85.02959	0.8
87.00874	27.0
87.38842	0.3
97.06593	4.5
97.99225	0.3
101.02393	0.6
107.00010	0.3
107.06380	0.3
115.00391	0.5
117.92581	0.4
121.02929	3.3
122.03716	0.9
123.04523	3.4
125.02457	2.5
130.99852	7.0
133.01375	0.6
137.02420	0.8
140.90047	0.4
146.03745	5.0
147.04532	3.8
148.05290	0.6
149.06108	2.2
151.00409	0.5
151.04044	0.4
155.85016	0.4
157.06619	0.5
159.04472	1.4
161.02449	0.4
161.06076	0.9
162.06929	1.2
163.03992	0.7
163.07628	2.0
169.01364	1.5
172.05299	2.4
173.06079	3.0
174.03278	2.9
174.06865	1.9
175.03969	2.0
175.07645	19.9
176.04810	2.3
177.01894	0.4
180.04231	0.4
185.06126	0.7
186.06870	2.8
187.07664	4.1
188.04765	1.9
189.05594	3.3
189.09274	0.5
190.06380	7.0
191.10811	0.8
197.06160	0.6
199.03966	0.4
199.07614	0.6
200.04817	11.3
201.05679	0.8
201.09230	9.3
203.07190	8.3
204.07907	4.2
213.05722	0.4
214.06403	0.4
215.07095	1.9
216.04237	0.6
216.07913	1.7
217.08763	6.5
218.05933	0.4
219.10272	12.6
227.10803	4.2
227.12996	0.6
228.07979	1.9
229.08719	32.7
243.10437	1.4
245.08223	5.6
245.11864	2.5
247.09807	3.1
253.08678	0.4
254.04346	1.4
261.11255	1.5
267.29062	0.4
271.06335	0.5
271.09760	2.2
273.07724	17.8
289.10938	1.5
291.08701	0.5
315.08792	0.6
333.09903	5.6
336.69931	0.4
351.10907	100.0
352.11288	2.2
353.11432	0.8
539.62506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	29.5
60.80385	2.8
71.01387	76.2
78.36251	3.2
80.96516	8.0
92.10194	5.0
97.02983	5.4
105.07963	4.1
109.06609	47.2
116.92857	4.5
135.08157	6.0
144.06725	3.4
163.11336	20.4
171.10251	18.4
181.12341	4.8
201.11316	3.9
207.10297	100.0
209.11815	14.9
225.11322	54.5
253.09259	3.9
277.21786	88.0
350.07355	3.6
461.20285	15.6
721.42017	16.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.3566
Annotation	Unknow
Peak:m/z	Relative Intensity
60.32297	0.6
61.98833	100.0
66.71332	0.5
74.07638	0.6
91.91438	0.7
108.78142	0.6
152.10600	0.6
248.98637	0.6
301.13123	0.7
341.44666	0.7
367.31387	0.7
496.71829	0.7
594.54437	0.8
813.23730	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5073
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	12.3
59.96318	4.9
67.34335	4.5
71.01388	10.3
75.00889	12.2
76.58426	5.5
76.73083	5.0
85.02947	13.1
89.02447	6.1
99.00856	8.0
111.85482	5.0
116.92854	7.3
126.21645	5.3
183.04141	6.1
197.11911	6.7
237.34167	5.6
255.23326	89.5
321.45410	7.0
557.96899	7.8
559.17395	7.0
695.37042	6.6
786.97601	7.4
797.50610	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	797.5072
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	2.4
59.01398	10.9
66.18220	2.1
71.01391	12.5
72.99320	3.4
75.00872	14.0
78.22837	2.3
85.02959	18.5
86.19696	2.4
87.00888	4.2
99.00893	3.5
103.00371	2.5
113.02450	15.3
117.01888	2.7
118.11716	3.1
139.92662	2.3
148.97034	2.7
183.33446	2.7
247.20717	3.5
248.08475	2.8
255.23291	82.4
265.75607	2.9
270.45978	2.7
291.19733	16.4
309.20776	5.6
482.80508	2.9
797.50836	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	798.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
67.61558	0.2
73.57160	0.2
157.44392	0.2
171.10274	0.2
201.44907	0.2
225.11502	0.2
431.51694	0.2
755.20410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.4301
Annotation	Unknow
Peak:m/z	Relative Intensity
58.45979	0.6
61.98837	100.0
64.72885	0.8
72.62363	0.7
74.04422	0.7
78.95908	1.6
80.89153	0.7
90.66869	0.7
96.58577	0.8
146.03683	0.8
187.56261	0.9
192.19809	0.7
209.11752	2.8
211.13492	1.7
214.63852	0.8
223.13416	0.8
241.01118	1.1
277.21713	0.8
299.83978	0.7
502.04449	0.8
507.53909	0.8
689.43073	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.7
61.80016	0.9
61.98846	5.6
71.01379	1.7
74.51347	1.0
80.02701	1.4
80.35690	1.0
81.03446	1.7
83.05036	5.4
89.02457	2.5
90.43984	1.1
91.61180	0.9
92.65502	1.0
101.02452	4.2
103.44545	0.9
103.93723	0.9
108.13193	1.1
112.56564	1.1
118.70061	1.1
127.10303	1.0
162.07553	0.9
163.11295	4.5
165.12869	1.9
197.11861	2.1
209.11856	100.0
210.43193	1.2
211.13388	7.5
224.96886	1.0
227.12903	8.0
229.40097	1.0
235.08148	1.4
235.17093	5.0
253.09222	7.6
260.60419	1.1
275.20148	8.8
293.21246	26.6
309.20782	1.6
445.21393	1.2
461.03027	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	799.4495
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.5
58.58080	0.3
59.01387	7.0
61.98843	1.6
71.01378	3.9
73.02968	0.7
73.81696	0.3
77.84812	0.3
78.50496	0.3
80.02709	1.4
80.45747	0.3
81.03477	0.8
83.01414	0.6
83.05029	4.7
84.02177	0.6
85.02975	0.8
87.00887	0.7
88.92650	0.3
89.02438	4.4
95.05061	0.5
98.49526	0.3
101.02439	5.3
111.08092	0.4
113.02462	1.9
114.32765	0.4
119.03518	0.7
121.10297	0.4
125.02466	1.7
125.06111	0.4
125.09679	0.4
135.08122	0.5
137.92047	0.3
161.04572	1.8
163.11301	4.2
165.12881	2.5
168.24089	0.3
171.10323	0.8
177.12952	0.6
179.14427	0.6
181.12389	0.5
191.10823	0.7
195.13921	13.1
200.57750	0.4
205.12431	0.7
209.11856	100.0
210.12262	1.3
211.13373	1.5
223.13405	6.7
227.12917	11.3
228.13789	1.2
231.21222	0.4
235.08278	1.7
238.52582	0.4
253.09317	16.3
256.13214	1.8
265.21609	0.5
275.20203	11.8
291.19629	0.7
293.21259	98.1
294.21640	1.7
316.48450	0.4
432.05215	0.4
445.20816	1.5
485.32901	0.7
503.34518	0.4
529.30255	3.3
546.40869	0.4
641.24744	0.4
705.12939	0.5
799.45996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4191
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46362	0.3
59.01394	2.4
60.99314	0.8
61.98835	0.9
71.01389	0.9
72.99310	0.5
73.02944	0.3
74.07681	0.3
80.02695	1.4
81.03458	0.7
83.05030	5.2
84.02183	0.5
88.98808	2.7
89.02402	1.2
95.05028	0.6
101.02460	0.9
102.98394	0.4
113.02466	0.8
121.03015	0.5
125.02448	0.4
135.08170	0.4
140.57707	0.3
161.04561	0.8
163.11281	5.0
165.12868	2.5
171.10333	0.7
177.01936	0.4
184.33926	0.4
189.11464	0.4
191.10779	0.7
205.46086	0.4
209.11868	100.0
210.12257	0.7
227.12918	9.3
235.08253	0.5
253.09386	4.8
409.62833	0.4
445.20865	4.4
637.32867	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.1
59.01392	6.5
61.98834	0.5
66.73193	0.4
71.01396	3.3
73.02991	0.6
78.57085	0.5
80.02670	0.7
80.63425	0.5
81.03482	1.0
81.36620	0.4
83.01406	0.6
83.05032	4.1
84.02174	0.6
85.02966	0.5
89.02456	2.6
97.06587	0.5
101.02472	2.7
103.34341	0.5
109.06581	0.8
111.08178	10.7
113.02451	0.9
128.98396	0.4
135.08156	0.5
161.04584	1.8
163.11314	3.2
165.12903	1.7
167.10818	2.3
177.12830	1.2
179.10805	1.2
195.13950	7.9
207.10284	0.6
209.11884	63.4
210.12177	0.9
227.12923	7.5
235.08258	1.0
247.20705	2.8
253.09335	5.7
273.18707	1.1
291.19727	100.0
292.19992	1.0
443.00629	0.5
527.28815	10.0
654.30536	0.5
719.40533	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	27.8
59.17482	3.5
61.98844	8.1
66.56457	3.7
71.01399	5.4
73.45935	4.0
80.83629	3.5
82.21233	3.9
87.67253	3.3
92.02042	4.6
92.10757	4.7
97.70390	3.6
101.02505	4.2
109.06609	27.3
126.16494	4.7
163.11324	21.5
195.13875	6.6
207.10287	68.7
209.11876	36.3
211.13364	5.3
225.11305	29.5
253.09290	20.2
285.84241	4.5
286.21518	4.3
291.19666	21.1
293.21298	100.0
529.29572	4.2
737.41461	38.1
794.13751	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	797.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.5
59.01382	9.9
59.23051	2.0
71.01389	11.1
72.99315	4.7
75.00878	13.1
78.42052	2.4
85.02985	16.3
87.00877	4.0
99.00890	4.6
106.36108	2.0
113.02461	13.6
116.92849	3.2
117.01975	2.8
211.13542	2.7
255.23320	70.6
275.11111	2.5
291.19580	3.6
293.95114	2.6
309.20575	8.7
355.52087	2.5
744.83228	2.9
797.50812	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	796.3618
Annotation	Unknow
Peak:m/z	Relative Intensity
56.15257	0.2
61.98834	100.0
67.51900	0.3
70.27525	0.2
72.63013	0.3
93.55885	0.3
98.23596	0.3
115.04829	0.3
284.45529	0.3
315.65317	0.3
446.53940	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	796.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.5
61.98825	1.4
65.82772	0.9
65.90379	0.9
78.95900	34.9
79.26159	1.0
80.19581	1.0
80.96531	1.6
83.01396	4.6
83.05027	6.3
84.02194	2.1
88.58820	1.0
92.10133	4.6
113.22321	1.1
125.00083	4.6
125.09733	4.8
135.08124	1.5
139.38348	1.2
143.51805	1.0
147.11803	1.4
152.99585	8.3
162.06964	1.1
163.11247	5.6
165.12868	2.2
168.04292	8.2
191.10808	9.4
209.11862	96.9
223.13416	6.8
224.06981	5.6
226.12189	7.1
227.12878	5.7
241.14465	37.1
255.23322	100.0
283.87509	1.2
480.30588	2.3
617.70892	1.6
619.36255	5.2
645.37305	4.6
690.43390	5.3
690.58209	1.2
704.45221	51.4
722.46161	29.2
775.42499	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	795.4546
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.2
59.01392	18.0
59.28585	0.6
61.98853	0.8
64.34454	0.6
69.03462	1.1
71.01394	4.2
72.10753	0.7
73.02946	0.8
87.00919	0.7
89.02454	4.2
90.90493	0.7
95.05029	1.5
101.02460	3.7
109.06618	0.7
111.08145	1.2
113.02445	1.5
119.03470	0.8
125.98540	0.7
143.03471	0.7
161.04578	1.4
167.10773	4.0
171.10301	1.0
177.12744	1.1
179.10822	0.9
179.14476	6.1
195.13934	27.2
205.12389	13.5
207.10294	0.9
210.06850	0.8
215.85101	0.7
223.13441	100.0
224.14040	1.3
235.08243	3.4
253.09348	13.8
256.13184	1.2
263.80685	0.8
275.20178	7.0
277.21667	0.8
293.21286	88.8
425.63443	0.7
448.21652	0.8
455.99838	0.7
459.22440	13.6
478.37006	0.8
499.34610	0.9
529.30194	1.4
735.43158	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	793.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
56.50981	0.4
59.01399	0.8
73.02962	0.6
97.83485	0.4
97.97751	0.5
99.00925	0.9
99.23246	0.5
99.92588	7.9
100.93301	0.4
116.92866	100.0
116.97266	8.6
117.01958	2.4
117.92894	0.6
225.89445	0.5
269.24771	0.5
273.41473	0.5
335.17514	0.6
398.43680	0.6
444.82498	0.6
761.71423	0.5
817.32440	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
58.33884	7.7
59.01382	14.3
61.98830	21.4
65.84905	8.0
71.01411	17.0
110.42229	9.1
116.92867	14.2
131.92439	9.1
171.10266	14.7
188.72774	8.8
195.13914	13.7
199.09801	16.7
201.11320	33.5
208.33183	9.3
223.13318	18.2
225.11397	12.9
253.09251	18.1
276.91516	8.8
277.21820	100.0
291.19608	21.5
493.81494	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	795.33
Annotation	Unknow
Peak:m/z	Relative Intensity
56.88847	0.8
57.15790	0.9
57.62792	0.8
60.99317	20.5
88.98817	100.0
128.24675	1.0
139.97397	1.0
141.12225	0.9
163.50519	0.9
173.05777	1.0
209.11990	2.0
475.86792	1.2
656.94708	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.43679	0.4
59.01394	2.1
59.60132	0.4
60.99323	20.9
64.06811	0.5
64.74932	0.4
71.01395	4.4
85.48852	0.4
87.00899	0.8
88.00446	0.8
88.98815	100.0
89.02431	2.4
90.06442	0.5
109.06559	0.6
111.54862	0.5
113.02428	0.8
125.02432	1.0
145.03018	0.9
171.10239	2.9
187.19495	0.5
207.10284	1.1
209.11812	2.1
211.10136	0.5
222.87195	0.5
225.11324	0.9
353.89359	0.5
363.41257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4005
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01375	3.6
62.07038	2.1
68.80135	2.5
69.88082	2.3
86.71827	2.0
96.12053	2.1
116.92897	3.7
125.15482	2.9
130.49719	2.1
168.61824	2.5
209.11870	82.5
227.12872	21.5
241.80995	3.0
253.09303	14.3
291.19629	50.7
292.13184	2.6
309.20779	100.0
424.93039	3.0
483.00491	3.0
511.39810	2.7
527.28735	5.5
791.39844	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41613	4.7
59.01384	10.8
59.59045	5.6
61.50773	4.4
64.34617	4.8
71.01379	10.4
78.95899	6.1
79.45782	5.2
82.47804	5.3
91.82858	4.9
94.18424	5.1
101.02464	5.1
101.49882	4.8
110.92146	4.8
116.92868	22.2
117.90382	4.8
209.11856	100.0
227.12854	26.8
253.09377	9.6
291.19611	10.3
309.20782	53.9
628.42255	5.9
791.40070	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	791.4004
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	12.7
61.63745	5.8
71.01384	9.9
82.83990	5.2
85.87267	6.3
116.92894	32.2
128.62042	6.7
129.30309	6.3
140.72038	5.8
209.11858	100.0
227.12982	13.6
253.09302	8.9
309.20810	62.7
791.39789	51.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	6.1
64.34737	4.4
67.14309	3.7
71.01384	7.4
78.95904	5.3
82.46729	3.4
82.86701	4.6
84.81517	4.6
85.03002	4.5
85.38235	3.6
88.64742	3.9
90.75216	3.7
101.02454	4.7
110.12930	3.8
116.92888	26.9
153.12888	5.0
163.11304	5.0
171.10254	8.2
209.09900	5.7
209.11850	92.7
227.12868	22.5
253.09364	6.6
259.37561	4.1
277.64713	4.2
291.19626	25.4
309.20773	100.0
311.31537	3.9
346.51620	4.2
379.15442	5.5
411.01721	5.3
545.29712	33.9
737.41199	16.1
755.42603	7.8
791.40082	48.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	793.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.5
59.01396	0.7
69.03497	2.3
75.36003	0.5
77.78497	0.5
85.02982	0.7
87.00884	27.2
89.26345	0.6
95.01414	0.6
97.06615	4.1
109.02969	0.7
119.04990	0.6
121.03003	3.6
123.04536	2.4
125.02427	5.1
130.15460	0.6
130.99846	8.1
131.00752	0.7
134.03683	0.6
137.02472	1.5
146.03755	5.2
147.04549	4.9
148.47868	0.6
149.06047	2.6
151.00398	1.2
159.04509	0.9
161.06197	0.8
162.06862	1.4
163.04034	0.7
163.07597	4.9
169.01450	2.9
172.05350	4.3
173.06096	2.5
174.03236	2.5
174.06931	0.8
175.04041	1.4
175.07651	19.7
176.04832	1.2
186.06882	2.8
187.07683	5.0
188.04773	3.2
188.08447	0.8
189.05652	4.7
189.09224	2.3
190.06288	5.8
191.10759	2.8
200.04794	9.7
201.05559	1.1
201.09244	11.9
203.07169	7.1
204.04092	0.8
204.07932	4.1
214.06406	0.6
215.07138	1.2
216.07896	1.2
217.08765	7.3
219.10306	17.3
225.09448	0.6
227.10834	3.1
228.07906	0.8
229.08733	31.9
242.05919	0.9
243.02972	0.7
243.10367	1.0
245.08243	5.0
245.11861	2.8
247.09706	3.1
254.04306	0.8
255.02994	2.4
261.11334	2.4
271.02591	2.8
271.09879	1.4
273.07715	16.3
278.68478	0.6
283.13602	0.8
289.07123	1.1
289.10889	2.9
300.02789	5.4
301.03607	2.6
333.09766	5.8
351.10919	100.0
352.11505	0.7
441.08569	1.0
463.08984	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	791.2817
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.1
59.01387	0.2
60.17614	0.1
73.02959	2.2
75.00867	0.1
76.33545	0.1
87.00919	0.1
92.10826	0.2
99.00894	1.2
99.92590	6.9
114.93433	0.6
116.92867	100.0
117.01955	3.5
117.92877	0.3
131.04607	0.1
171.10306	0.2
201.11386	0.2
209.11946	1.2
236.17513	0.1
252.03645	0.1
256.40820	0.1
373.76614	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
56.54642	1.8
57.03471	1.5
59.01385	3.7
67.10490	1.8
71.01395	2.2
89.02452	4.7
101.02468	3.0
104.95134	1.7
109.95851	1.9
115.98492	1.9
209.11867	74.2
223.75566	2.0
227.12985	17.7
235.08289	2.6
237.66782	1.7
247.20660	2.6
250.80453	1.9
253.09166	3.5
291.19644	42.5
309.20782	100.0
313.08713	2.7
340.81137	2.3
472.72659	2.0
527.28729	9.6
545.29700	39.5
737.41327	18.9
755.42377	24.1
791.39954	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	789.3855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.21275	7.7
57.03481	8.8
59.01419	12.9
59.34453	8.0
59.62266	7.3
61.98845	100.0
71.01405	42.1
76.61559	7.8
78.95544	8.7
78.95911	80.4
83.05052	19.0
84.71159	8.5
85.02955	8.9
95.04988	9.1
109.06604	9.9
111.15547	8.1
125.02461	10.8
131.06332	8.3
142.96504	8.6
152.99629	34.8
163.11383	13.6
171.10371	14.9
207.10272	51.1
209.11899	45.1
209.96141	10.1
225.11475	44.6
253.09468	10.4
291.19736	21.6
309.20715	20.9
461.20050	18.6
481.30133	12.2
717.37988	30.1
735.39899	56.3
753.40924	58.7
757.49323	10.6
789.39264	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	789.3851
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	7.3
61.98854	18.2
71.01383	16.4
77.07610	7.0
163.11331	11.2
171.10265	11.5
207.10306	19.5
209.11900	100.0
225.11292	16.2
227.12982	9.9
245.19055	10.8
253.09235	12.4
289.18143	34.5
289.68448	8.1
291.19684	12.6
303.59659	8.7
307.19144	68.1
309.20908	42.0
568.76465	9.3
669.55017	9.4
753.40619	49.6
789.38483	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3858
Annotation	Unknow
Peak:m/z	Relative Intensity
57.58312	2.9
58.64673	2.8
59.01387	5.8
71.01393	25.7
83.05042	4.0
84.02192	3.8
96.96032	6.3
114.93406	7.1
116.92817	4.3
148.00140	3.3
157.93411	3.5
163.11327	5.3
171.10233	4.1
197.11925	14.4
202.52013	4.0
207.10312	6.7
209.11868	100.0
225.11333	3.5
227.12883	16.3
253.09351	14.5
289.18130	39.0
299.04364	3.9
307.19183	14.4
309.20758	4.8
446.39981	4.0
454.30563	4.0
493.31366	3.9
525.27563	3.7
735.38751	6.3
789.38312	46.6
808.65668	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	789.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.4
57.03451	5.2
58.00607	1.1
59.01382	21.6
62.61319	0.9
64.57422	0.9
68.35931	0.9
69.03452	2.1
71.01382	100.0
72.99311	1.6
73.02955	4.7
73.08102	0.9
80.02677	1.7
81.03455	4.1
83.01382	2.2
83.05031	13.1
84.02162	2.1
85.02956	16.1
87.00864	2.2
89.02447	10.0
92.10787	1.9
95.01391	1.7
95.05048	4.3
96.95988	1.2
97.02962	6.8
97.06598	5.7
99.04494	1.3
101.02425	9.1
103.72840	1.0
109.06602	16.7
110.03805	1.3
110.18626	1.1
113.02460	5.8
116.92869	1.6
119.03494	1.3
121.06534	1.1
123.04539	1.4
125.02504	1.0
125.09736	1.9
127.11268	4.3
135.08150	4.7
137.09717	5.0
142.02708	1.9
153.09288	1.3
161.04543	2.5
161.09727	1.4
163.11285	20.4
165.12830	2.0
171.10283	72.4
179.10768	1.3
181.12312	4.7
183.13890	2.1
185.11792	4.3
189.09132	1.8
197.11909	2.6
199.09668	1.3
199.13490	1.2
201.11353	16.2
207.10291	45.0
209.11852	89.2
211.13461	19.7
215.12933	1.1
221.11905	1.4
223.50716	1.2
224.95653	1.1
225.11353	35.2
227.12894	8.5
229.14479	10.2
235.08258	5.1
239.12904	2.0
253.09335	21.7
291.19751	3.9
307.19095	1.2
309.20721	8.3
327.21820	95.2
342.18988	1.0
461.20370	8.4
467.27832	1.2
471.76593	1.3
563.31195	1.3
771.41205	10.3
772.42847	1.7
775.90326	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	789.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38489	3.7
61.98835	100.0
70.15289	4.1
78.95911	15.0
116.92896	4.1
130.03780	4.4
209.11859	42.3
227.13011	8.1
289.18002	5.7
307.19226	21.4
330.02188	4.0
445.20425	4.3
543.28143	6.7
634.79724	4.7
697.35748	4.5
717.38116	5.2
735.40179	5.3
753.40973	18.3
784.95770	4.4
789.38892	18.7
820.79773	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	789.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00974	4.9
57.03473	7.6
59.01411	23.3
61.98850	29.5
64.24033	4.7
71.01383	62.5
78.95923	25.8
83.05040	21.9
85.21884	5.4
95.05078	5.0
97.02970	4.8
101.02470	12.1
108.55814	5.3
109.06619	35.9
110.11036	4.8
112.60783	4.9
116.92889	9.6
123.19630	4.7
135.08145	7.9
152.99615	8.0
163.11330	21.6
171.10313	40.7
201.11258	6.0
207.10316	99.2
209.11821	60.7
210.12169	10.7
211.13316	6.1
225.11313	37.8
253.09344	20.6
291.19586	62.0
293.21408	6.7
309.20782	84.1
311.22128	5.8
329.31641	6.6
363.22147	5.5
461.20285	10.0
601.41278	6.5
735.39886	42.1
753.40845	99.0
789.38879	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	788.4734
Annotation	Unknow
Peak:m/z	Relative Intensity
56.26200	1.4
57.34645	1.3
57.80663	1.6
59.01395	8.8
61.98840	100.0
62.77666	1.3
78.28571	1.9
78.95916	14.6
83.05053	3.4
108.15041	2.4
154.11205	2.1
163.11273	3.2
168.04338	3.2
209.11879	40.5
224.06938	2.4
227.12888	2.0
241.14421	3.1
279.23386	34.7
639.27985	2.1
714.43719	40.7
728.44861	3.1
747.06323	2.2
788.50720	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	789.3203
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
57.03451	0.3
58.00615	0.7
58.78764	0.2
59.01388	65.7
63.67949	0.2
71.01386	10.8
72.99297	0.6
73.02959	0.5
75.09229	0.3
82.19038	0.3
83.01398	0.6
85.02965	4.0
87.00880	0.5
89.02444	15.3
90.49387	0.2
95.01394	1.4
99.00866	0.3
101.02449	10.2
109.06638	0.3
113.02471	4.8
119.03504	5.8
125.02402	1.0
149.04657	0.3
150.53065	0.3
154.14403	0.3
154.54626	0.3
163.11320	4.8
188.36324	0.3
207.10312	12.7
345.92438	0.3
387.16696	100.0
388.17200	2.0
475.71204	0.3
728.53943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	789.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	4.5
59.01395	26.2
61.98841	100.0
71.01402	17.0
75.37901	2.9
78.95904	43.2
83.05019	5.5
87.00874	4.0
92.10104	8.6
93.03466	5.6
95.05002	3.0
109.06619	21.2
116.92889	4.0
135.08069	4.4
152.99600	15.8
160.63921	3.3
163.11343	12.9
194.40622	3.6
195.13963	4.0
207.10289	55.4
209.11819	7.9
225.11391	23.5
291.19693	36.9
293.21329	4.5
343.24817	3.4
437.32581	3.9
461.20474	13.5
734.51538	3.5
735.40143	17.8
789.45581	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	789.3868
Annotation	Unknow
Peak:m/z	Relative Intensity
55.85567	19.7
56.34426	15.4
57.03440	17.2
59.01402	29.1
59.68029	16.6
61.98852	100.0
64.86509	18.6
71.01410	19.0
82.95442	19.4
83.05045	31.3
95.60085	24.4
116.92861	37.4
145.19719	19.0
163.11282	23.2
207.10291	90.1
209.11794	29.3
215.23570	21.5
225.11400	31.1
245.50812	23.4
291.19769	86.9
293.21307	79.4
318.33450	24.9
485.22739	22.5
702.26135	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4501
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82906	0.7
59.01387	5.3
61.98838	1.8
64.68948	0.7
69.26461	0.8
71.01383	5.6
75.09730	1.0
81.03465	1.0
83.01410	0.9
83.05035	5.8
85.02935	1.5
89.02454	4.3
101.02419	3.7
113.02441	1.3
123.08125	1.1
125.09732	1.6
134.78333	1.1
150.08269	0.9
151.96416	1.0
163.11360	6.7
165.12845	7.2
170.36331	0.9
171.10254	4.3
181.12296	3.5
197.11873	2.2
199.13441	1.1
207.10301	3.9
209.11868	100.0
210.12166	1.3
225.11348	6.6
226.32967	1.0
227.12917	10.5
235.08244	1.1
238.07527	0.9
247.20636	5.0
253.09338	10.1
269.67242	0.8
273.18524	1.5
291.19693	51.0
292.20276	1.2
307.19196	1.7
309.20764	53.0
328.83698	0.9
338.15573	1.0
347.22513	0.9
373.73868	0.9
452.92816	1.0
459.64963	0.9
769.40472	1.4
787.41504	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	787.4863
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83706	1.4
59.01405	2.5
73.63934	1.5
83.05040	2.4
97.75909	2.0
110.75224	1.7
209.11891	47.2
219.82953	1.8
227.12956	7.5
235.08336	3.2
253.09210	4.2
281.24893	100.0
287.02606	1.8
325.27383	7.1
399.82455	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	788.4739
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	7.4
61.98851	7.8
65.19548	1.3
73.93559	1.1
77.69859	1.3
78.95902	10.8
107.55581	1.1
109.40958	1.1
132.03220	1.2
152.99666	1.9
163.11353	1.6
168.04378	2.2
176.23457	1.5
209.11844	21.3
242.13284	1.3
263.19275	1.5
279.23346	100.0
339.37320	1.7
366.81763	1.5
572.47266	1.7
714.43707	50.2
771.33508	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	9.9
61.98869	2.2
67.65427	1.1
69.35529	1.3
70.94917	1.3
71.01413	7.9
80.23945	1.3
81.03471	1.7
83.01413	1.6
83.05061	8.2
84.02208	2.1
85.02997	1.7
89.02473	3.1
96.96033	12.3
97.06609	3.2
101.02480	6.6
125.09747	1.9
129.54228	1.3
130.95073	1.2
144.59392	1.4
146.37898	1.5
163.11287	8.6
171.10254	16.8
193.12370	8.0
197.11867	1.7
201.11423	3.2
207.10320	2.4
209.11882	100.0
209.39081	1.5
211.13423	2.6
223.09784	2.2
225.11320	2.7
225.14975	14.4
227.12978	7.4
243.16173	3.3
253.09268	14.5
327.21680	2.6
341.23367	60.1
443.43692	1.8
445.21237	1.8
574.35388	1.7
577.32263	1.7
787.41205	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.45
Annotation	Unknow
Peak:m/z	Relative Intensity
55.48598	2.4
55.80075	2.5
57.03480	4.1
57.74927	2.3
58.71937	3.0
59.01378	23.8
61.98840	100.0
63.16422	2.9
66.88314	2.8
71.01397	33.7
78.95898	7.7
83.05040	8.0
85.02972	3.5
89.02495	5.6
90.63027	2.9
95.05059	4.9
95.96175	2.8
96.91513	3.7
97.02949	3.2
101.02503	4.7
108.76274	3.5
109.06645	8.0
111.08195	16.3
117.39780	3.4
163.11314	13.3
165.12849	3.9
171.10280	27.2
195.13930	22.0
197.11815	13.7
201.11278	5.1
207.10265	19.6
209.11850	85.2
225.11380	18.6
227.12991	12.2
253.09344	21.8
291.19717	95.5
293.21262	75.5
437.01028	4.1
555.35919	3.6
737.01782	3.6
737.41156	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	787.4062
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	18.3
61.98857	38.6
68.17685	18.9
92.10876	43.8
108.94855	21.3
116.21641	21.0
125.02439	100.0
128.91235	24.7
159.26985	19.8
169.01414	21.7
173.75409	21.2
175.91719	20.0
177.30176	18.9
177.96230	23.6
183.83424	20.3
272.77322	22.4
291.19647	23.9
302.59946	20.5
304.67700	19.2
309.20892	26.9
636.61029	22.5
787.41071	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.6
57.03448	1.0
59.01387	9.4
62.97763	0.4
66.65388	0.4
71.01379	26.2
71.01773	1.0
71.47466	0.5
72.02180	0.7
73.02956	2.6
74.49637	0.5
80.02695	2.3
81.03472	2.6
83.01369	1.0
83.05028	6.3
84.02170	2.3
85.02962	2.4
86.45595	0.5
87.00879	1.1
89.02442	3.5
93.03458	0.6
95.05016	2.2
97.02934	1.3
97.06597	4.4
99.00886	3.1
101.02457	5.6
107.05039	2.1
109.06588	3.0
110.03738	0.6
113.02435	2.7
123.08080	0.6
125.06076	7.3
125.09722	5.2
127.07594	0.9
127.11234	3.7
135.08171	2.5
137.09802	0.8
139.07635	3.2
141.09195	2.3
151.07692	0.7
153.09198	3.4
155.10791	2.3
161.04536	2.2
161.09937	0.5
163.11305	6.9
165.12823	4.2
169.08678	4.1
171.10280	28.6
178.09953	0.8
179.05565	0.7
181.12305	2.8
183.10268	0.8
185.11835	4.0
191.10844	1.0
197.11809	6.7
199.09782	0.7
199.13484	1.1
201.09492	1.2
201.11359	39.3
207.10336	8.4
209.11853	100.0
211.13606	0.8
225.11365	8.4
225.14888	1.0
227.12918	9.8
235.08249	2.7
236.10596	0.8
243.17981	0.6
253.09294	12.2
287.16599	2.2
289.18225	1.9
305.17572	9.4
307.19205	6.0
313.23651	0.7
323.18637	1.2
325.20212	2.5
327.21964	0.8
341.23349	8.7
370.57770	0.6
393.23068	0.7
434.54135	0.6
461.20251	1.0
515.29968	0.6
541.26355	2.4
671.32422	0.8
689.33984	1.1
733.38763	0.8
739.23633	0.6
751.38568	2.2
769.40509	1.2
787.41278	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	786.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
55.34335	1.6
59.01395	9.4
61.98836	100.0
62.92465	1.6
78.95907	11.5
81.03481	1.9
83.05067	2.5
92.10106	4.2
144.84981	1.7
149.00891	2.0
163.11351	2.1
166.70186	1.8
168.04341	2.8
209.11876	50.8
217.06549	1.6
224.06905	2.2
227.13049	2.7
241.14444	3.1
277.21719	32.6
302.31982	1.7
424.45227	2.0
440.51212	2.0
712.42017	47.2
726.43475	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	787.3077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.41920	0.2
56.99918	0.3
59.01368	0.5
61.98830	2.8
71.01388	0.3
74.45389	0.3
78.95901	8.4
78.96322	0.5
79.95734	1.6
82.02602	0.3
83.05042	0.3
93.94820	0.3
94.98082	0.5
96.96007	100.0
96.96915	10.8
132.81548	0.3
152.69643	0.3
171.10269	1.5
187.31610	0.3
209.11830	2.2
225.11368	0.3
227.12843	0.3
265.07523	0.5
325.20786	0.3
349.20322	0.3
729.96393	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.37
Annotation	Unknow
Peak:m/z	Relative Intensity
56.69963	11.0
59.01395	26.4
61.96547	12.9
61.98853	91.3
71.01405	33.0
79.66280	15.5
100.04269	13.0
121.40974	12.4
163.11316	15.1
171.10280	55.0
178.07040	15.0
195.13933	20.8
197.11839	28.4
207.10281	71.6
209.11852	100.0
225.11375	22.8
253.09305	27.9
291.19760	91.3
293.21243	93.7
311.22238	20.3
313.10263	13.5
315.71008	12.3
354.49347	14.2
418.59607	15.9
698.11719	17.0
755.41400	15.2
782.13025	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	786.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75115	0.1
58.49553	0.1
59.01386	0.5
61.98831	100.0
62.99893	0.1
78.95911	0.2
80.02688	0.1
83.05022	0.2
92.10078	0.2
106.14957	0.1
176.51135	0.1
209.11833	2.5
210.12154	1.7
211.12425	0.6
235.60776	0.1
242.24695	0.1
277.21741	0.7
278.21948	0.9
279.23224	0.8
280.23007	0.1
306.62796	0.1
328.77307	0.1
786.48645	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82811	0.1
55.40475	0.1
59.01391	0.1
61.91831	0.1
61.98835	100.0
62.11655	0.1
64.67405	0.1
76.01162	0.1
101.02381	0.2
101.07809	0.2
107.82379	0.1
109.25684	0.2
111.50561	0.1
191.75174	0.1
209.11896	1.6
210.12178	1.0
211.12384	0.3
277.21680	1.7
278.22101	1.8
279.22372	0.8
329.42892	0.2
645.79010	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	16.1
61.98845	5.5
65.96145	0.9
65.96517	0.9
78.95902	18.3
81.03454	0.9
83.05039	1.5
105.77002	1.0
111.10992	1.2
152.99597	2.1
163.11438	1.4
165.12935	1.4
168.04320	5.0
177.08717	1.0
209.11876	31.9
227.12776	1.3
271.42569	1.3
277.21768	100.0
278.22137	1.2
365.02115	1.2
384.53186	1.0
389.96878	1.1
392.01852	1.1
417.24991	1.2
466.85251	1.0
685.99603	1.1
712.42108	58.9
726.43506	4.8
752.61182	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.4343
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	8.5
71.01398	4.6
73.21138	0.9
79.20937	0.9
89.02460	1.8
92.10110	2.2
96.96887	0.9
97.06599	1.1
101.02464	4.2
103.10185	1.1
112.77354	1.1
123.21950	1.0
124.47537	0.9
134.99846	0.9
143.56676	0.9
153.12842	1.7
156.04468	0.9
163.11298	1.4
165.12881	2.3
165.81963	1.0
169.12367	9.7
171.10344	1.2
179.14435	1.1
197.11868	100.0
209.12004	7.6
227.12901	1.1
235.08328	1.7
238.05414	1.1
247.20715	4.2
253.09352	6.8
273.18393	1.6
275.35400	1.0
291.19720	45.7
309.17184	1.6
309.20758	44.0
343.93344	1.2
385.74878	1.1
433.20963	6.0
527.27704	1.6
802.19733	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.2
59.01388	28.7
60.16684	2.9
61.98843	3.0
68.72675	3.4
68.99844	3.7
71.01379	36.9
83.01415	3.7
83.05075	5.0
85.02995	7.9
87.00903	5.1
89.02465	6.5
95.05082	4.5
96.96040	4.9
97.02994	6.5
97.06618	8.1
101.02459	16.1
109.06628	14.1
110.03717	6.3
111.04549	19.1
113.02470	6.5
123.04539	4.5
123.08183	5.0
125.06099	15.2
125.09748	18.0
127.07710	12.3
137.09737	4.2
137.86688	3.0
139.07640	3.5
145.05269	3.3
153.09236	18.6
161.09752	16.3
163.11295	14.1
169.08783	7.0
171.10294	78.9
177.09204	3.8
179.10788	17.0
185.11856	21.3
197.11911	21.3
199.09727	4.8
201.11345	6.5
205.08728	16.2
207.10280	37.3
209.11880	100.0
213.11472	13.4
217.99348	3.6
223.09773	44.0
225.11385	18.2
227.13017	6.1
241.10817	5.1
253.09372	20.8
289.18143	35.4
307.19254	65.3
325.20343	23.7
341.23218	11.7
459.19159	4.1
461.20334	4.2
477.19458	4.1
525.26947	4.7
543.28351	5.3
731.36627	5.4
749.37457	16.6
767.39142	23.7
785.40582	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3976
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.6
57.03460	1.5
57.55170	1.6
58.00611	1.5
59.01390	14.7
64.97759	1.6
69.03442	1.8
71.01377	15.4
73.02968	6.2
73.11356	1.5
80.02707	2.5
81.03447	2.2
82.29302	1.6
83.05035	8.3
85.02966	3.9
89.02453	3.0
89.17690	1.5
95.05042	2.1
97.06561	1.7
101.02451	7.8
109.06643	3.2
113.02485	3.2
114.39777	1.7
122.03717	1.7
123.02186	1.9
123.08163	2.5
125.02413	1.6
125.06089	1.9
125.09742	13.8
127.11341	1.8
133.06569	2.1
136.05347	2.6
139.07642	8.8
149.06082	6.9
151.07651	13.4
153.09171	2.3
155.10753	2.4
161.09662	2.2
163.11299	7.3
165.12845	6.3
171.10278	19.9
177.05591	34.5
179.50208	1.6
181.08704	2.2
181.12265	2.0
185.11810	3.8
187.07845	1.7
187.09624	2.1
197.11937	2.7
199.09790	44.2
200.02544	1.8
201.11382	1.7
207.10281	16.7
209.11867	100.0
213.11404	2.5
221.11986	2.3
225.11328	9.3
227.12839	8.9
253.09309	8.7
259.17197	2.0
277.18033	7.2
303.16010	14.3
321.17130	23.0
332.30081	1.6
435.18692	8.8
557.26056	11.4
609.29077	3.7
627.30164	3.5
645.31244	2.5
698.32745	2.6
767.38483	7.1
785.39594	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	784.3612
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98835	100.0
63.99261	0.4
73.30591	0.2
79.55836	0.2
80.68616	0.2
84.15759	0.2
101.52121	0.2
104.97583	0.1
137.25008	0.2
207.10130	0.2
209.11816	0.2
510.10699	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	784.414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	0.6
61.98839	100.0
65.44902	0.2
78.95872	0.5
85.16516	0.3
89.19129	0.3
93.64462	0.3
95.57236	0.3
207.10248	0.5
225.11272	0.4
277.21783	0.7
278.22040	0.5
360.58920	0.3
432.88232	0.4
627.30920	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	785.3983
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	11.9
61.98834	7.5
66.96870	0.9
69.03468	6.8
71.01395	11.0
71.05033	1.7
71.81848	0.9
78.26322	0.9
83.05037	2.1
85.02956	1.2
85.95105	1.2
87.00900	1.1
89.02463	2.1
96.96017	12.4
97.02912	1.3
97.06584	1.9
101.02452	5.2
107.05019	1.2
113.02481	2.4
116.54289	1.0
123.08166	1.5
125.02428	2.1
125.09696	4.3
127.07656	2.3
135.08171	1.2
137.09702	1.3
139.04207	1.0
149.09634	1.2
151.11290	2.5
153.09227	2.5
153.12877	1.5
155.10713	1.4
161.09727	2.3
163.11313	1.4
165.12784	1.2
171.10283	7.5
179.10822	8.3
181.12381	1.0
185.11826	8.3
197.11867	99.0
207.10220	1.8
209.11848	28.8
225.11371	1.8
235.08098	1.1
241.10832	4.0
253.09299	2.0
275.43564	1.1
289.18106	2.5
307.19110	15.5
314.33597	1.2
325.20667	1.4
370.59329	1.3
406.38516	1.1
477.20032	1.5
511.75159	1.1
542.02136	1.2
595.22778	1.1
767.38446	5.4
785.39771	100.0
786.40271	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	781.5118
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83015	6.3
59.01382	9.4
75.00891	8.3
85.02953	10.7
85.79925	7.1
113.02439	9.8
200.75058	7.8
255.23289	64.5
317.45709	9.4
433.65073	9.1
482.56226	9.2
781.50928	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	782.3829
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37780	0.2
59.01385	0.5
61.98834	100.0
71.01378	2.3
71.87739	0.2
74.88026	0.2
81.42654	0.2
83.05030	0.5
87.00878	0.3
101.02413	0.2
101.09566	0.2
106.56639	0.2
109.06577	0.3
125.02380	0.3
163.11255	0.3
164.11647	0.2
171.10286	0.3
185.11726	0.3
207.10237	1.2
208.10600	0.5
209.11877	5.3
210.12228	2.2
211.12352	0.4
225.11269	1.1
227.12917	0.3
253.09299	0.4
273.16989	1.7
274.17371	1.0
275.17661	0.8
386.43121	0.2
448.20255	0.2
672.33936	0.3
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
66.64410	1.8
68.76444	2.2
77.75916	2.2
79.30183	1.9
80.76242	2.0
82.06661	2.8
95.90644	2.0
97.04066	2.2
100.43925	2.2
112.07735	2.2
116.06804	1.8
121.04099	3.8
129.10374	29.3
130.08762	2.8
139.08736	4.5
140.07199	3.4
140.97098	2.1
141.81619	2.0
142.01926	2.3
148.81250	2.1
155.08305	5.1
155.11891	2.3
164.09616	2.6
165.10361	5.0
182.12976	3.4
183.11285	2.5
196.34511	2.2
197.16675	8.1
200.14001	8.1
207.15005	25.8
224.17676	16.6
225.16121	5.1
241.13370	4.5
242.11920	3.5
242.18753	22.3
259.14606	3.6
292.61261	2.6
294.25778	2.3
295.21405	11.4
312.17068	3.8
337.26123	13.9
355.27383	3.3
430.76190	2.3
468.20026	2.5
539.39301	3.8
782.52087	100.0
792.88092	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	784.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
64.38519	0.3
78.95908	0.3
91.36692	0.4
119.04978	0.3
125.02451	0.5
171.10294	0.4
271.44882	0.3
317.48380	0.4
425.13785	0.4
501.66037	0.4
642.90265	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
59.11199	0.2
59.42920	0.2
60.99316	21.4
68.76537	0.2
69.09624	0.2
70.53391	0.2
71.01387	0.5
80.89362	0.2
87.00870	0.9
87.53449	0.2
88.00407	0.5
88.98808	100.0
89.02448	1.5
89.77556	0.2
90.88035	0.2
114.80009	0.2
209.11899	1.7
412.62781	0.3
531.88708	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4602
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.4
61.18378	0.7
63.03312	0.7
68.75541	0.8
69.03489	0.7
71.01371	1.5
85.28307	0.8
89.02470	1.5
92.10139	1.9
99.00778	0.9
101.02449	1.6
113.02461	1.7
113.10121	0.8
116.92909	1.1
139.91801	0.9
179.14429	1.4
195.13930	5.9
205.12303	5.1
223.11250	1.8
223.13423	43.4
235.06105	1.1
235.08316	4.0
253.09360	7.5
277.21753	100.0
441.21320	3.5
459.22446	2.1
719.43616	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	780.3673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.29339	0.3
59.01402	0.4
61.98838	100.0
67.63894	0.3
73.24529	0.5
76.85906	0.3
88.98801	0.7
92.10117	0.7
95.08997	0.4
112.86888	0.4
114.55214	0.4
207.10258	0.5
209.11807	2.8
210.12173	1.9
235.21011	0.4
239.12701	0.4
353.90979	0.4
401.92435	0.4
555.03326	0.5
652.99146	0.4
780.95636	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	781.2028
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74316	0.2
62.76204	0.2
78.95907	44.7
89.16998	0.2
95.43816	0.2
96.96071	5.5
96.96967	100.0
97.97064	0.2
104.37264	0.2
131.24120	0.2
201.79117	0.2
201.98128	0.2
305.22723	0.2
387.53491	0.2
438.58948	0.2
439.08661	21.8
552.10681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18253	9.4
61.98835	13.7
71.38853	12.6
72.58287	11.1
92.10860	26.5
108.83231	11.1
174.16656	12.3
192.07443	13.1
197.11903	100.0
201.02104	12.8
202.65855	12.2
209.11870	18.3
274.39835	12.1
300.26575	14.6
307.19217	25.1
405.51663	12.6
497.53177	13.2
639.60321	13.9
723.39093	22.5
777.37689	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.3928
Annotation	Unknow
Peak:m/z	Relative Intensity
58.60353	0.6
59.01387	8.8
69.03463	2.6
71.01386	3.8
73.02972	0.8
73.22496	0.8
80.02681	1.6
81.03471	1.3
83.01409	2.7
83.05029	7.3
84.02173	1.6
84.94699	0.6
85.02955	1.6
88.98814	2.8
89.02448	4.6
91.25404	0.7
95.04994	0.9
97.02951	5.4
101.02450	4.3
101.06371	0.7
109.06602	12.4
110.03766	1.0
113.02444	2.6
120.43399	0.7
125.09720	2.7
135.08157	1.6
142.02779	0.8
151.19022	0.8
161.04610	1.1
161.09781	0.9
163.11285	14.1
165.12837	1.5
171.10289	1.4
179.10759	3.2
181.12360	1.5
191.10782	1.4
207.08301	1.3
207.10301	54.7
209.11871	100.0
221.11801	1.3
225.11299	10.0
227.12918	7.7
232.22105	0.6
235.08232	1.5
239.12915	27.8
253.09251	11.4
271.15540	6.6
273.17114	42.2
279.31180	0.7
300.48441	0.7
380.49323	0.7
443.19489	1.4
445.20697	1.7
461.20224	1.4
587.29437	0.9
717.37311	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	778.1841
Annotation	Unknow
Peak:m/z	Relative Intensity
65.00326	0.1
65.99850	0.2
70.09718	0.1
101.91518	0.1
107.01401	0.2
109.02969	0.3
121.02990	0.1
121.95557	0.1
137.02460	2.3
138.03244	4.4
151.00383	1.0
163.00468	0.1
163.47769	0.1
167.02231	2.9
168.03033	100.0
169.03374	0.7
178.99913	0.5
211.04001	0.1
227.03528	0.2
243.03091	0.6
245.04362	0.2
255.03000	1.6
271.02530	3.5
299.99295	0.1
300.02811	5.2
301.03580	3.1
330.08371	30.2
331.08698	0.5
407.71002	0.1
447.09421	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.5336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25871	0.6
57.47187	0.4
59.01376	0.9
61.98835	100.0
74.10884	0.5
128.16574	0.6
305.56137	0.6
317.09149	0.6
632.32605	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.1525
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82901	0.3
57.03461	3.7
58.03799	0.4
59.01390	4.6
71.01389	0.9
72.99314	5.5
83.01378	0.5
85.02933	0.4
87.00880	16.9
88.33479	0.4
101.02441	3.0
103.00384	5.5
105.01977	0.7
107.01427	0.3
107.05029	0.7
112.98847	0.8
119.05031	3.0
120.05382	0.7
125.02436	0.4
130.99850	1.5
133.02975	1.9
134.03763	8.3
135.04532	100.0
136.04881	0.6
137.02510	0.5
145.01427	2.0
147.01929	0.4
147.03021	0.7
149.00923	98.9
151.00438	0.6
163.02563	0.6
163.04015	2.1
177.02037	0.5
179.03510	98.2
180.03836	0.5
193.05067	4.3
194.05397	1.5
309.06238	1.6
310.06619	1.5
311.04083	12.9
311.07388	0.8
465.10052	0.5
650.01746	0.5
659.78510	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25034	1.6
57.65126	1.7
59.01379	14.7
71.01383	16.8
80.42043	1.8
83.05029	4.2
85.02980	2.4
87.19893	2.0
89.02439	2.8
97.02943	8.0
101.02425	4.4
109.06598	39.3
110.03693	2.3
110.64573	2.3
114.83994	2.0
116.92844	4.6
121.06588	2.5
130.53406	2.3
135.08139	3.6
161.09764	3.2
163.11256	22.8
171.10306	3.1
181.12361	4.7
196.51581	2.3
201.90323	2.6
207.10306	100.0
209.11800	9.9
225.11357	54.0
253.09264	14.6
277.21768	95.5
461.20453	18.9
529.82574	2.6
530.27472	2.4
721.41467	19.2
722.42657	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	775.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
56.65742	1.8
59.01394	8.7
59.78350	1.7
61.98853	3.3
64.96861	1.5
71.01396	4.2
81.72851	1.9
83.05029	1.9
85.02935	2.0
87.00902	2.4
97.02972	3.2
101.02460	2.3
109.06600	12.1
116.92910	6.9
133.33510	1.8
138.28883	2.0
160.23767	1.9
163.11288	8.6
174.03366	1.7
207.10292	41.9
224.11139	1.7
224.87004	1.7
225.11331	21.9
235.08302	3.0
253.09369	9.4
270.47949	1.8
277.21759	100.0
325.98102	1.9
340.62027	2.3
461.20129	3.1
603.47699	2.0
721.41699	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	775.4048
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46946	45.5
55.84259	43.7
75.08838	46.9
76.21411	53.1
78.95914	65.4
96.96021	73.5
116.92867	61.4
123.33509	54.5
139.65239	53.9
141.59407	57.5
157.54633	53.3
169.82162	50.7
176.03223	58.9
211.13364	100.0
240.30968	60.9
278.25287	56.7
317.45132	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.173
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83099	1.0
57.03455	61.7
65.00324	1.6
71.01379	17.6
72.99306	11.4
73.02960	6.0
83.01392	7.8
85.02948	11.2
85.26427	1.2
88.14691	0.9
92.10161	2.1
93.03502	1.3
95.05028	1.9
99.00871	1.1
101.02438	57.3
103.00404	2.2
105.03481	7.7
107.01407	2.6
115.00388	7.6
117.03474	6.6
119.05026	54.3
119.61736	1.2
125.02461	4.8
127.00356	14.1
129.01981	7.7
133.01468	2.7
133.02959	47.3
134.03752	72.1
135.04526	26.5
145.01437	64.6
147.03017	48.1
149.00980	2.4
149.02463	1.5
149.06094	9.5
151.00410	12.9
151.03992	2.0
152.01175	6.5
163.02507	27.2
163.04025	48.3
166.02753	2.2
177.01947	19.3
178.02733	5.5
178.99942	7.7
179.03508	26.4
191.03558	1.4
192.00578	2.2
193.05083	100.0
215.03542	1.9
244.96474	1.0
277.27756	1.0
301.03674	7.8
309.03189	2.6
309.06210	70.6
404.79245	1.1
465.10437	8.6
539.18860	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	3.0
61.98838	3.1
64.57375	2.3
71.15492	2.6
83.05074	3.6
108.12600	2.7
117.63914	2.8
146.41232	2.6
171.10387	2.6
193.37300	3.1
209.10072	5.0
209.11862	73.3
227.12929	15.4
253.09261	18.7
275.20139	12.2
293.21255	100.0
445.20847	5.8
529.30011	6.9
775.40533	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67300	2.1
59.01375	2.6
61.98866	2.4
69.93240	2.0
71.01397	4.1
78.95908	4.9
83.05047	4.3
97.06569	3.2
105.28413	2.7
112.70774	2.7
113.02471	2.5
116.92871	4.4
123.33082	2.6
152.99541	4.7
169.12408	5.4
209.09839	3.3
209.11882	100.0
227.12997	20.1
235.08109	4.3
253.09378	11.9
275.20175	3.5
293.21286	69.4
391.38058	2.7
445.20856	17.0
485.33066	3.2
534.50488	2.7
541.83148	3.5
670.65045	2.9
680.89948	3.3
739.39801	3.5
767.04437	3.2
775.40784	43.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.5
56.57083	0.6
57.03471	3.8
57.24129	0.5
59.01098	1.0
59.01381	10.4
61.98837	1.5
69.03474	2.8
70.80834	0.6
71.01382	16.4
71.05027	1.1
73.02954	1.2
80.02695	0.8
81.03462	1.1
82.95415	1.3
83.01416	1.0
83.05024	5.3
84.02183	0.9
85.02955	12.1
89.02489	3.1
89.54489	0.6
89.69941	0.7
95.05058	0.9
96.96016	2.8
97.02975	4.0
97.06587	2.4
98.10165	0.6
99.00890	0.6
101.02431	6.0
108.68269	0.6
109.06625	7.3
113.02463	3.2
116.92834	1.0
119.03537	0.8
123.08231	0.7
125.02476	0.9
125.09737	1.0
127.11293	0.8
127.97587	0.7
131.99106	0.7
132.09227	0.7
135.08189	3.0
137.09741	4.0
142.02692	1.0
161.04579	3.0
161.09639	0.8
163.11313	12.1
165.12848	3.6
171.10280	40.0
181.12437	5.1
182.09148	0.6
183.10307	0.8
183.13866	1.4
199.13426	3.5
201.11343	3.0
205.08679	1.0
207.10320	19.7
209.11868	100.0
211.13396	4.9
221.11873	1.4
223.09773	1.5
225.11354	14.0
227.12918	12.4
229.14497	3.3
235.08188	6.8
239.12895	0.8
243.12399	3.4
253.09344	13.8
291.19705	2.8
309.20816	4.2
327.21823	57.7
328.22165	1.0
345.90359	0.7
445.21194	1.1
461.13937	0.7
461.20264	2.8
522.49969	0.7
545.30017	1.0
563.30908	1.6
630.14014	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	0.6
56.55847	0.5
57.03463	1.3
57.33421	0.5
59.01390	5.8
63.14732	0.5
72.99307	7.3
73.16109	0.5
75.00872	0.5
83.01435	0.7
85.02980	2.1
87.00880	18.2
101.02440	0.9
103.00359	5.7
105.01957	0.9
105.30799	0.5
107.05049	2.7
110.72868	0.6
111.00853	0.6
112.98831	0.5
125.02477	2.6
129.01917	1.0
129.02795	0.6
130.99907	0.8
134.03767	6.0
135.04524	100.0
137.02420	0.7
139.04004	0.7
147.04533	3.6
149.00923	95.8
159.04497	1.2
169.01431	2.4
172.05327	2.2
173.06079	3.6
179.03510	95.5
181.61496	0.6
187.07689	2.4
189.05547	0.8
197.06093	0.8
201.05647	2.1
201.09251	5.9
204.07951	2.7
205.03563	1.1
215.07182	2.8
216.07878	2.4
223.04581	0.9
227.10844	4.7
245.11919	3.7
255.02917	0.7
271.02625	1.0
289.07584	0.9
289.10950	2.9
300.02716	2.9
300.47443	0.6
301.03583	1.2
311.04163	12.6
327.89264	0.6
333.09772	16.6
404.66943	0.6
463.08939	2.0
725.42273	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.2
59.01394	5.7
72.99326	6.0
87.00865	16.2
87.35864	0.9
89.02430	1.1
90.77438	0.9
103.00405	2.1
107.05043	1.5
109.02969	1.2
112.98841	1.1
115.27068	1.0
124.01726	1.2
125.02477	4.1
133.02962	1.2
134.03743	5.2
135.04530	100.0
137.02429	2.3
139.34962	1.0
149.00929	92.8
151.00374	1.5
178.99982	2.0
179.03508	87.8
214.02693	2.1
242.02299	1.4
243.03073	1.4
259.02615	1.7
270.01770	4.0
271.02563	13.7
282.48694	1.1
287.01999	8.3
311.04184	13.5
316.02280	44.0
317.02982	6.5
330.05869	1.2
463.08975	33.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3613
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91379	0.2
55.01894	1.4
57.03461	1.4
58.00619	0.5
59.01389	72.5
60.01725	0.3
62.31119	0.3
64.12447	0.2
66.16975	0.3
66.18171	0.2
67.24023	0.2
68.61294	0.3
69.52595	0.3
70.82415	0.3
71.01385	16.6
72.99312	0.7
73.02961	0.7
78.20219	0.2
83.01411	1.4
85.02961	5.0
87.00870	0.7
89.02446	15.2
95.01394	1.4
97.70363	0.2
99.00891	0.3
101.02442	12.0
102.75355	0.3
109.02953	0.3
109.06596	0.5
111.08630	0.3
113.02451	6.3
119.03497	6.1
121.03016	0.3
125.02431	1.5
129.01912	0.3
133.02937	0.3
135.04514	0.5
138.24507	0.3
149.00946	0.5
149.02454	0.6
150.20068	0.3
151.00450	0.4
151.04016	0.3
152.01129	0.4
161.02477	0.4
163.11288	9.0
164.04756	0.7
169.01488	0.4
172.58351	0.3
193.01428	0.5
194.01743	0.3
205.03510	0.4
207.10310	12.6
208.03790	1.4
223.06163	1.5
224.06564	0.7
234.48994	0.3
238.12991	0.4
267.70914	0.3
351.73734	0.3
387.16690	100.0
388.17044	1.6
497.53662	0.3
591.81183	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48452	5.2
58.11309	5.6
63.82898	5.9
75.62717	6.8
82.44556	7.5
89.95994	5.8
96.96034	10.9
125.02431	13.2
135.38182	7.5
183.13910	7.6
209.11839	100.0
227.12965	26.4
233.60106	6.6
295.85608	6.1
369.86136	6.9
408.07883	6.8
604.53326	6.9
773.37555	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	773.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82425	6.5
59.01395	6.2
61.20226	4.6
78.95912	11.1
92.10774	4.6
96.93990	4.6
104.86227	5.4
111.95266	4.9
117.12909	5.5
125.02489	4.7
143.30736	5.5
209.11868	63.5
227.13016	6.4
235.42921	4.9
253.09486	5.9
291.19699	100.0
369.14948	5.3
527.28662	11.6
674.08820	6.6
719.40033	6.1
737.40613	7.7
773.39355	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07515	12.9
138.78189	14.2
149.24202	12.8
177.70338	14.8
207.10281	33.4
231.26401	13.9
248.66743	13.1
251.58940	15.4
291.19678	14.8
293.21274	100.0
352.16461	15.2
448.49954	14.9
448.56427	17.1
737.41388	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	772.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82936	2.0
59.01383	67.9
62.78328	2.1
71.01377	34.3
74.90559	2.4
85.02930	4.0
89.02433	43.5
100.81593	2.4
101.02453	16.0
107.25520	2.5
113.02445	12.2
119.03499	13.7
131.28136	2.4
159.93886	2.6
179.05577	5.1
225.22261	20.1
253.21672	3.5
271.22705	3.3
278.24976	3.5
296.25912	4.0
448.20596	2.8
487.68375	2.6
508.74207	3.0
532.47198	21.9
550.48767	10.7
559.58813	3.0
567.31299	2.7
614.60687	3.4
712.53864	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.337
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80752	2.4
57.03443	2.6
59.01386	18.0
61.81327	2.7
61.98841	2.9
69.03458	5.5
71.01383	42.0
73.02956	5.0
78.77346	2.6
80.02699	4.1
81.03462	2.7
82.95410	6.2
83.05048	7.0
85.02953	5.2
89.02436	5.2
96.96005	5.4
97.02981	5.2
99.00932	3.2
101.02459	6.1
105.07049	2.6
109.06618	23.0
113.02498	3.3
119.03478	3.0
121.06609	4.3
125.06114	2.7
125.09725	15.2
135.08167	3.9
145.11960	2.7
146.51727	3.1
163.11345	21.1
171.10289	46.4
181.12390	11.9
199.13474	15.5
207.10291	76.4
208.96487	3.3
209.11864	100.0
211.13455	6.4
223.09761	11.2
225.11386	52.9
227.12875	10.7
235.08282	3.9
243.12384	5.4
253.09261	19.3
327.21884	47.5
343.84665	3.3
461.20511	6.8
479.21570	5.4
572.95111	3.7
584.54535	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	771.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	2.6
59.01394	25.5
61.98828	2.2
71.01390	97.5
71.01777	4.0
73.02930	3.2
76.34779	2.5
80.02715	3.5
81.03453	2.3
83.01390	3.1
83.05045	14.0
85.02969	3.5
87.00890	3.2
89.02459	10.9
92.10091	7.0
95.05024	3.0
96.95992	2.6
97.02934	5.0
97.06593	4.7
99.00884	2.1
101.02452	13.4
106.21020	2.1
109.06612	19.1
110.03747	3.8
111.08178	12.1
113.02445	3.2
113.44131	2.5
123.08239	2.5
125.06056	5.3
125.09701	3.9
129.57095	2.0
133.12756	2.3
134.34203	2.1
135.08174	5.0
163.11313	29.9
165.12862	4.1
169.08623	2.8
169.12321	10.8
171.10287	40.9
171.49773	2.5
181.12396	12.2
183.13910	3.3
185.11848	3.2
191.10732	2.5
197.11836	64.3
199.09732	2.4
199.13356	9.4
201.11275	22.1
207.10286	62.2
209.11858	100.0
209.14880	2.7
211.13403	21.2
219.67691	2.6
225.11346	39.4
226.56895	2.3
227.12875	13.8
253.09360	24.9
263.20297	3.2
268.96851	2.4
291.19791	18.9
309.20816	52.9
320.00748	2.7
323.25244	2.7
461.20126	5.0
481.59790	3.0
531.05353	2.6
753.40485	9.8
783.35870	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	771.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
57.55005	3.4
59.01389	5.6
61.98844	12.8
69.55943	2.6
71.01402	16.4
83.05047	4.6
91.70646	3.0
94.92494	25.0
100.02142	3.0
101.02448	3.8
116.92848	4.0
126.60781	3.3
149.81905	3.0
163.11421	3.5
165.12810	3.6
171.10352	3.8
181.12343	4.5
185.11845	4.1
192.50691	2.8
197.11836	5.8
199.13353	3.7
207.10316	17.0
209.11899	100.0
214.66888	3.7
218.93938	3.2
223.13133	3.1
223.47885	3.3
225.11391	12.7
227.12941	5.7
248.59406	3.7
253.09322	6.1
272.83115	3.4
291.19885	11.3
293.21271	38.1
345.88815	3.2
407.75583	3.5
485.06781	4.0
553.36584	3.6
771.41919	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	2.1
59.01382	93.5
66.92653	1.2
71.01377	39.0
72.99317	2.9
83.01401	1.7
85.02962	11.3
88.04072	2.0
89.02439	40.7
95.01389	2.2
101.02434	24.9
113.02445	16.6
115.48951	1.5
119.03496	16.5
144.94707	1.2
159.01036	1.3
161.04536	1.7
179.05583	5.6
202.62477	1.6
209.85927	1.4
225.22282	22.2
253.21834	2.9
271.22806	6.2
278.24942	6.1
278.45187	1.4
296.26035	3.3
311.84180	1.7
432.82083	1.6
454.42505	1.5
532.47430	28.1
550.48383	11.5
575.46033	1.5
584.67664	1.6
712.53864	100.0
741.26117	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.1
57.03465	2.3
58.00597	1.3
59.01392	20.2
62.87450	0.9
67.33459	0.9
69.03470	2.0
71.01386	100.0
73.02971	4.6
74.08231	1.0
78.95908	25.3
81.03475	1.6
83.01394	1.6
83.05025	6.8
84.02170	1.3
84.88186	1.0
85.02962	2.7
86.68220	1.1
87.00903	1.4
89.02454	6.8
95.05000	2.3
96.96034	1.6
96.96957	1.9
97.02956	6.6
97.06595	2.3
99.00874	1.8
100.74267	1.0
101.02449	6.7
109.06602	11.8
110.03751	1.2
111.08170	1.8
113.02460	5.5
113.06079	1.5
113.09740	1.9
114.39562	1.2
119.03461	1.3
123.04530	1.6
123.08218	1.1
125.06088	1.5
125.09734	2.8
135.08122	4.5
136.05307	1.2
136.75526	1.3
139.07677	2.0
143.24319	1.5
151.11298	1.8
152.99608	11.8
153.12868	2.3
155.10748	1.8
161.04514	2.4
163.11299	11.5
165.12828	6.8
167.10692	1.2
169.12312	1.6
171.10289	15.6
176.03696	1.1
181.12384	9.0
183.13901	5.5
185.11864	13.0
189.09004	1.5
193.12308	2.0
197.11853	12.4
199.13377	6.4
201.11346	5.9
207.10324	27.2
209.11839	56.7
211.13454	13.4
215.12823	5.1
221.15486	1.7
225.11377	20.0
227.12921	16.6
229.14473	7.2
235.08179	1.7
241.77469	1.1
243.12332	1.4
245.19186	1.7
247.20651	2.9
253.09315	13.5
263.20190	2.9
267.36914	1.3
273.18594	2.5
289.18024	7.8
291.19675	31.6
297.20450	1.5
307.19211	26.0
309.20752	46.2
320.68372	1.3
366.95343	1.3
385.44864	1.2
461.19922	8.4
463.21835	2.8
499.09131	1.3
499.30893	1.9
539.92328	1.6
543.28540	1.6
621.21075	1.4
735.39868	1.4
753.40442	6.4
754.39764	1.5
771.41028	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
56.17264	0.4
57.03447	2.2
58.00600	0.6
59.01388	14.8
61.98834	0.5
69.03445	1.2
71.01384	100.0
71.05013	0.6
73.02937	3.8
76.87695	0.5
80.02671	2.5
81.03459	3.1
83.01400	0.8
83.05024	5.1
84.02173	2.2
85.02947	2.9
85.74731	0.5
87.00871	2.0
89.02445	5.1
92.66107	0.5
93.03461	0.6
95.01410	0.9
95.05026	2.7
96.95992	0.7
97.02951	7.8
97.06567	1.1
97.94565	0.5
99.00872	0.6
101.02435	7.3
106.04227	0.5
107.05023	1.1
107.08772	0.5
109.06600	18.7
110.03749	1.2
111.08160	0.8
113.02473	3.7
119.03543	0.8
121.06572	1.2
123.04520	0.8
123.08173	1.9
125.02454	0.6
125.06093	1.1
125.09727	5.2
127.11256	2.2
135.08176	4.3
135.18552	0.6
136.05286	0.6
137.09680	1.2
139.40205	0.5
141.09274	0.7
142.02698	2.8
148.08989	0.5
149.09744	0.7
153.09200	1.1
153.12891	0.8
155.10744	2.7
161.04572	1.1
161.09718	2.3
163.11301	16.9
163.46022	0.5
165.09212	1.2
165.12871	5.8
169.12228	1.0
171.10287	32.4
177.12823	1.0
179.10797	1.2
179.14380	2.0
181.12338	6.1
183.10309	0.7
185.11894	4.0
189.09131	0.9
193.15990	1.1
197.11935	4.1
199.09792	1.2
201.11365	15.2
207.10313	47.5
209.11871	51.7
211.13411	0.7
221.11780	0.8
223.13310	2.3
225.11369	29.2
227.12961	4.3
233.72250	0.6
235.08150	1.3
243.12390	1.3
245.19057	1.3
247.20714	4.7
253.09351	9.6
263.20059	0.8
273.18533	1.1
289.18082	2.6
291.19705	38.8
299.15167	0.9
307.19086	5.7
309.20789	35.0
347.22388	0.9
405.86642	0.5
443.19440	0.8
461.20352	7.4
499.30328	0.8
573.10938	0.7
735.40057	0.8
753.40729	6.1
754.41528	0.9
771.41229	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51410	0.2
54.82952	0.2
55.01886	0.3
55.59719	0.2
55.91989	0.2
57.03468	0.8
58.00605	0.3
59.01387	4.4
60.02248	0.2
61.98837	0.4
68.94193	0.2
69.03465	0.2
71.01383	4.2
71.01710	0.2
71.05036	0.9
72.99345	0.2
73.02957	1.2
80.02699	1.7
81.03474	1.3
82.95429	0.2
83.01400	0.4
83.05039	6.5
84.02180	2.2
85.02948	1.9
87.00892	1.4
87.76576	0.2
87.80431	0.2
89.02447	2.7
92.10113	0.2
95.01391	0.3
95.05058	1.2
96.96051	0.2
97.02955	0.4
97.06609	0.8
98.03730	0.2
99.00899	0.3
99.04529	0.3
99.08170	0.2
101.02436	3.6
109.02983	0.3
109.06590	0.9
111.00877	0.4
111.08162	0.3
112.05344	0.4
112.66420	0.2
113.02454	2.2
115.07646	0.8
119.03489	0.4
121.02899	0.3
123.04525	0.3
123.08176	0.4
125.06107	0.8
125.09716	2.6
127.07656	2.1
135.08180	1.5
137.09744	0.3
137.34294	0.2
139.07658	0.3
145.05014	0.3
147.11874	0.2
149.09714	0.3
149.31767	0.2
152.68423	0.2
153.09209	5.4
153.12856	0.3
155.10773	0.7
161.04575	1.3
161.09723	0.2
163.11292	7.1
165.12848	3.7
171.10284	8.1
178.10039	1.3
179.05699	0.3
181.12363	1.2
185.11855	2.4
191.10793	2.0
191.14381	0.5
197.11847	3.2
206.50873	0.2
207.10315	1.2
209.11859	100.0
210.12184	0.9
211.13367	0.3
225.11530	0.3
227.12915	9.0
228.77394	0.2
235.08235	1.7
236.10519	0.2
237.11349	0.3
238.12167	0.3
239.12877	0.3
245.19124	1.1
253.09273	6.4
263.20282	0.3
271.17163	0.3
279.19601	0.3
289.18137	6.1
307.19199	22.3
308.19614	0.3
309.20572	0.2
325.20230	6.7
345.20676	0.2
363.21878	0.3
445.20770	0.4
460.23709	0.2
471.73181	0.2
525.27258	1.1
543.28186	3.3
561.29553	0.4
666.32690	0.4
684.33282	1.5
735.39813	1.7
753.40820	2.1
771.41925	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.3137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79543	0.3
57.51461	0.4
61.98834	3.9
71.01372	0.4
74.06306	0.4
75.57127	0.3
75.77914	0.3
76.70800	0.4
78.95905	8.8
79.95744	1.5
96.96009	100.0
96.96909	9.4
109.90253	0.3
125.02384	0.5
134.91234	0.3
209.11833	0.8
211.98534	0.4
261.94296	0.4
302.24564	0.4
371.41452	0.5
433.15860	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11383	28.6
56.55460	33.4
61.98861	37.7
71.01405	39.3
92.10103	100.0
113.02497	54.9
141.70573	36.2
148.88483	38.5
171.10266	46.2
191.06128	35.4
293.21234	55.8
771.41669	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.6
57.03472	4.5
58.00623	1.3
59.01386	16.9
69.03468	2.3
71.01386	48.5
73.02975	5.9
78.95923	1.4
81.03458	5.8
83.01427	1.9
83.05022	10.6
85.02954	6.0
87.00835	1.4
89.02468	7.5
95.05017	1.9
97.02956	6.2
97.06587	5.0
99.04546	1.2
101.02437	8.1
104.48853	1.3
109.06615	11.8
110.03703	1.0
111.08181	9.2
113.02431	2.6
116.26955	1.2
123.04507	1.6
123.08209	1.6
125.09711	5.8
135.08153	1.7
137.09714	1.6
153.12856	1.4
161.04568	2.0
163.11305	13.5
165.12842	7.1
169.12440	2.3
171.10278	31.2
179.10826	1.4
181.12358	6.3
185.11826	6.7
188.21785	1.5
189.09138	1.6
197.11850	34.5
199.13396	1.7
201.11330	16.1
207.10297	31.7
209.11853	100.0
211.13388	7.0
212.86133	1.4
215.12958	1.6
225.11374	28.1
227.12955	10.0
235.08220	1.8
245.19084	2.6
253.09312	16.1
278.52737	1.4
289.18207	11.9
291.19693	20.1
307.19324	8.6
309.20761	39.6
444.25824	1.4
449.36960	1.2
727.36932	1.3
753.40424	4.4
771.41309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.4389
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	12.8
61.98846	4.6
71.01376	1.5
89.02443	1.6
101.02448	1.6
113.02501	1.1
113.08528	1.2
169.06827	1.2
169.12320	6.1
183.13870	1.7
195.13925	5.7
197.11856	100.0
200.62732	1.3
201.41367	1.2
214.53195	1.1
223.13339	2.1
235.08234	2.5
253.09329	11.2
275.20157	5.4
293.21274	55.7
380.62704	1.3
433.20636	7.6
451.34412	1.5
529.29742	1.5
599.94305	1.8
742.48126	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	771.286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.2
57.03445	0.4
58.70036	0.3
59.01387	12.7
61.73704	0.2
71.01402	2.6
73.02953	0.6
81.03458	2.1
83.01400	1.4
85.02945	1.1
87.00869	0.3
89.02469	1.3
100.45786	0.3
101.02413	2.7
107.46252	0.3
113.02475	1.3
119.03501	0.5
123.04532	17.8
125.02453	4.0
146.97891	0.3
149.02425	0.5
151.00372	1.5
161.04546	0.7
163.03970	0.5
167.03514	100.0
168.03822	0.6
191.03551	1.1
209.04655	0.6
271.02573	2.1
279.14606	1.4
299.02020	3.4
300.02615	1.0
301.03510	1.2
321.15503	2.9
329.08838	26.4
343.45547	0.3
363.16760	0.4
364.16794	1.3
365.06406	6.1
365.17914	1.3
405.21466	0.5
434.80643	0.3
441.19019	0.6
609.14789	0.5
718.59930	0.3
771.20599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.403
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
55.88629	0.4
57.03447	0.5
59.01385	4.9
61.98838	4.9
65.03989	0.4
69.03463	0.5
71.01379	3.6
71.05028	0.6
80.02697	2.1
81.03476	2.2
83.01406	0.4
83.05035	7.8
84.02169	1.5
85.02980	1.6
87.00903	0.4
89.02451	2.7
93.03473	0.4
95.05018	1.3
97.02972	1.8
97.06600	1.6
98.65571	0.3
101.02439	3.5
107.05016	2.9
109.02995	0.4
109.06613	2.2
110.03767	0.7
111.00909	0.5
113.02451	1.7
119.03513	0.7
121.02962	1.9
122.03695	0.5
123.08167	0.8
125.02442	0.8
125.06121	0.9
125.09721	4.4
135.04466	0.5
135.08150	3.9
153.09204	4.6
161.04596	0.6
163.11293	8.4
165.12891	3.6
171.10266	3.9
173.09705	0.4
176.08470	2.4
178.09970	0.7
179.10783	0.7
181.12396	2.9
185.11807	1.6
189.09221	0.5
191.10806	3.5
197.11862	7.7
207.10330	6.7
209.11864	100.0
210.12190	1.6
217.12361	0.5
225.11374	4.7
227.12906	7.4
235.08244	1.5
235.13550	0.5
236.10486	0.6
243.17630	0.5
245.15376	0.5
253.09270	4.7
261.18469	1.7
269.15424	0.6
277.18158	2.5
279.19650	0.7
287.16583	5.3
305.17633	25.1
307.19009	0.7
323.18689	4.4
343.19156	0.6
369.07333	0.4
376.64087	0.4
445.20966	0.8
461.20517	0.8
523.25598	1.5
541.26733	10.1
559.27649	1.8
671.33276	3.3
700.33569	0.6
733.37891	2.9
751.39288	7.4
769.40619	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	769.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88185	2.2
57.03454	2.6
59.01387	18.4
61.98833	30.3
68.99826	11.0
69.03472	2.6
71.01380	26.9
73.02945	2.3
81.03490	4.0
81.52657	1.9
83.05026	9.6
85.02946	8.7
87.00913	2.8
89.02438	5.7
95.05038	3.5
101.02467	2.9
107.05029	16.9
109.06610	11.0
113.02445	2.8
123.04442	2.6
123.08169	3.0
125.09716	3.7
127.11313	4.7
135.08168	3.4
149.09618	2.5
151.07664	38.3
161.04575	3.3
163.11278	13.9
165.12799	3.9
171.10266	31.6
185.11819	5.9
197.11754	2.6
201.11327	13.3
203.10713	3.3
207.10291	14.9
209.11870	100.0
216.97525	2.4
221.11804	2.5
223.13498	3.5
225.11308	17.2
227.12898	5.6
235.08214	4.2
237.14961	3.3
243.17500	2.4
245.19142	4.0
247.13403	3.4
253.09241	16.4
261.18607	4.6
287.16574	9.6
289.18192	30.7
305.17627	18.1
307.19196	4.6
402.05475	2.5
706.52972	2.6
751.39484	3.0
769.40344	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	769.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99883	10.5
58.58597	9.5
59.01394	100.0
61.98843	42.8
95.68053	11.1
112.99297	11.6
165.52643	11.4
197.11900	15.6
223.13351	24.4
265.19751	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	769.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	20.2
61.98838	37.5
71.01399	10.3
72.66929	2.1
73.02935	3.3
83.01429	3.0
83.05030	9.9
85.02976	3.1
87.00867	2.9
89.02467	9.6
94.92496	3.9
95.05028	2.7
96.95967	2.5
97.02975	10.6
97.06590	3.2
101.02455	13.8
107.05065	3.6
109.06584	21.3
113.02485	3.0
116.31341	2.7
125.02431	3.4
125.06160	2.5
125.09727	4.3
127.07632	3.2
135.08142	3.7
136.84648	2.5
153.09235	5.5
163.11320	19.5
165.12849	3.2
171.10283	23.1
181.12331	12.8
185.11784	11.1
186.11046	2.6
197.11827	18.4
205.04579	3.1
207.10320	62.1
209.11868	100.0
225.11385	35.3
227.12962	9.4
253.09253	15.1
287.16275	2.6
289.18094	4.6
293.20969	2.6
301.90622	3.2
305.17621	15.1
307.19174	20.8
322.21292	2.7
325.20135	4.8
461.20044	3.0
506.17773	2.4
519.85516	3.3
543.28278	2.4
546.52081	2.7
666.53870	2.7
733.37677	10.4
737.15094	2.6
751.39685	15.2
769.40295	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	767.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81753	1.4
54.83016	1.1
59.01396	8.2
61.98839	14.0
69.03475	1.6
71.01391	7.3
83.01436	1.9
83.05049	8.1
84.02226	1.7
89.02473	2.4
92.10754	5.1
93.30247	1.3
97.02994	1.9
101.02469	5.1
110.10058	1.2
112.77118	1.2
113.02473	2.1
113.64619	1.4
118.71980	1.6
135.08163	1.8
163.11288	11.5
165.12837	2.0
169.12373	5.5
171.10280	12.7
179.10831	4.6
197.11832	35.3
201.11252	2.0
207.10300	29.1
209.11864	100.0
211.13448	2.2
225.11311	8.7
227.12932	6.3
239.12891	20.8
253.09203	9.5
273.17111	22.8
281.09671	1.7
589.43201	1.5
636.02454	1.5
767.39575	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	768.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89289	0.1
59.01371	0.1
61.98833	100.0
71.01382	0.4
78.95939	0.1
80.56292	0.1
88.04283	0.1
90.87599	0.1
94.98109	0.1
96.96007	0.5
119.20016	0.1
120.69243	0.1
197.11714	0.1
197.38977	0.1
207.10306	0.2
209.11891	0.5
225.11179	0.1
234.64903	0.1
248.48691	0.1
310.21307	0.1
361.02335	0.1
585.17804	0.1
701.63513	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.367
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63702	0.1
59.01405	0.2
61.98837	100.0
64.91015	0.1
71.01393	0.6
71.88042	0.1
117.61552	0.1
126.57874	0.1
145.27774	0.2
209.11909	2.1
210.12267	1.5
211.12425	0.3
274.39874	0.2
309.20572	0.3
310.21075	0.3
533.16772	0.2
577.16620	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	769.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83280	2.0
55.01909	1.8
55.54946	1.5
59.01398	9.7
61.98842	16.1
71.01390	13.0
81.03446	2.5
83.05047	2.2
89.02480	2.8
97.02972	8.8
101.02457	7.7
103.49910	1.8
109.06593	23.0
111.04512	2.6
111.05519	1.8
113.02494	2.9
134.57536	2.2
135.08141	2.9
142.02721	2.6
161.04564	3.3
163.11263	18.7
171.10278	2.8
179.10818	7.4
181.12410	3.9
189.09216	2.3
197.11813	3.8
207.10301	100.0
209.11830	20.4
221.11748	2.5
223.09795	7.0
225.11333	37.2
235.08199	2.5
239.12907	52.9
246.17331	1.9
253.09286	13.7
271.15521	14.7
273.16980	18.3
350.55673	2.0
373.26764	2.4
379.72864	2.2
443.18814	2.5
461.20499	12.0
506.33618	2.0
511.63202	1.8
586.29156	2.8
715.35516	17.0
716.36237	2.7
733.36572	3.0
761.00238	2.4
769.40155	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	767.3718
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	21.7
61.98851	2.9
71.01395	16.4
72.99340	1.5
73.02970	1.9
79.25632	1.1
83.01407	1.9
84.32011	1.1
85.02974	1.6
89.02448	13.0
97.02960	1.3
98.55540	1.1
101.02438	12.8
107.33295	1.1
113.02468	8.0
119.03532	2.4
125.02412	4.4
143.03535	2.2
154.08356	1.2
163.11317	1.8
165.12886	6.4
167.81700	1.4
179.14404	1.8
181.12360	1.9
193.16046	1.7
209.11784	2.5
223.13438	2.6
227.12773	1.4
235.08371	1.6
246.87415	1.2
247.20717	11.0
273.18738	1.7
291.19696	84.2
309.20764	100.0
349.00244	1.4
397.13516	23.0
415.14551	24.2
431.28046	1.4
755.18958	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	767.3873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	30.6
61.98833	10.7
71.01402	15.5
80.02734	6.3
83.05033	13.7
93.68885	6.1
97.02974	12.2
98.20369	6.4
101.02462	10.7
101.76691	6.4
107.05006	8.0
109.06608	37.3
122.38000	6.7
123.04510	7.1
125.09718	31.9
125.98978	6.3
134.81915	6.9
135.08162	12.5
163.11299	37.9
164.01837	6.7
171.10350	9.2
181.12286	14.2
185.11928	9.5
187.09915	9.4
191.10699	6.7
197.11865	11.2
207.10255	73.6
209.11852	100.0
225.11377	31.5
305.17648	29.5
380.98175	7.5
558.66797	8.8
670.69861	8.9
731.36719	28.1
749.37744	45.1
767.38586	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	765.4575
Annotation	Unknow
Peak:m/z	Relative Intensity
62.74435	25.9
71.01442	18.1
96.44293	24.1
116.92852	35.4
178.78903	26.6
209.11874	36.3
283.26456	100.0
320.47760	28.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.3518
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	0.3
61.98834	100.0
62.69106	0.3
62.98510	0.2
70.48478	0.4
71.01385	0.3
90.98887	0.3
100.96653	0.3
109.06583	0.5
166.83687	0.3
176.04701	0.5
209.12010	0.9
210.12218	0.5
214.32860	0.3
278.76913	0.3
301.14536	0.4
664.06122	0.3
758.28119	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4114
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.2
63.96244	1.0
67.40860	0.7
71.01379	10.7
73.02956	1.6
74.96086	0.7
78.95914	1.3
78.98592	8.7
79.95734	15.3
80.96521	100.0
81.03455	1.2
81.05737	0.7
85.02973	4.8
87.00885	3.1
94.98083	22.9
96.96021	1.4
97.02969	1.5
101.02440	3.2
104.81805	0.9
106.98079	6.9
122.97569	4.9
125.02431	3.9
127.04072	1.2
134.97581	8.4
136.99144	3.5
148.99129	10.4
152.98656	9.5
164.98630	20.5
206.99677	4.2
209.11864	3.5
225.00778	34.8
255.23239	3.6
261.78165	0.7
482.65482	0.8
509.16934	4.3
537.27539	3.1
712.67633	1.1
765.41150	99.6
766.42084	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3554
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73296	1.7
60.99303	18.6
62.25549	1.9
73.02776	2.2
76.57905	2.4
88.98813	100.0
88.99347	4.1
89.02433	4.3
91.17543	2.6
91.57655	2.6
211.13356	2.4
224.67191	2.3
233.13004	2.3
408.29507	2.6
430.29977	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	765.3925
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46693	0.1
57.03502	0.2
59.01394	1.9
62.00659	0.1
71.01394	1.3
72.49631	0.1
72.99324	0.2
73.02955	0.5
74.77400	0.1
80.02699	1.3
81.03465	1.0
83.01425	0.5
83.05034	5.0
84.02188	0.8
85.02969	0.5
87.00878	0.3
88.98839	0.2
89.02438	1.4
93.03465	0.2
95.05032	0.7
97.06612	0.2
101.02455	1.8
109.06574	0.2
113.02460	0.8
119.03500	0.2
125.02461	0.2
125.06089	0.6
135.08173	0.7
143.03479	0.2
145.83600	0.1
147.11765	0.2
161.04575	0.8
163.11307	4.3
165.12860	2.8
171.10269	0.6
179.05594	0.2
181.12354	0.6
191.10822	1.3
207.10278	0.2
209.11864	100.0
210.12166	0.9
227.12923	11.3
235.08247	1.1
247.13365	0.2
253.09293	4.5
406.03021	0.2
445.20917	2.4
463.21826	0.2
637.32513	0.9
655.33514	0.1
660.85815	0.1
673.34192	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79078	0.6
59.01387	15.3
61.98842	3.2
78.95911	22.2
80.02740	1.4
81.03475	3.1
83.05022	6.5
84.02209	3.3
106.43618	0.8
125.09766	1.5
135.08174	1.0
152.99599	3.8
163.11333	7.9
165.12871	5.7
168.04343	9.5
191.10831	3.8
209.11876	100.0
223.13545	1.5
224.06999	4.8
226.12083	1.4
227.12872	7.7
241.14502	10.6
255.23352	86.3
308.96878	0.8
472.68613	0.8
480.30884	3.6
492.94055	0.9
619.36102	1.1
645.37366	0.9
690.43707	95.3
691.43829	1.6
704.44971	8.1
765.40454	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.9
59.01382	79.7
59.01654	4.3
60.99318	2.3
61.98830	33.4
64.34827	3.1
69.03477	3.0
71.01379	48.4
73.02937	5.4
74.48930	2.5
76.55530	2.6
81.03479	11.8
83.01418	5.0
83.05027	4.1
85.02974	15.8
85.68217	2.7
87.00884	6.6
88.98823	16.5
89.02444	44.1
92.10818	5.8
93.33529	2.9
95.01368	3.3
97.02959	16.0
97.06607	4.1
101.02427	35.1
105.80795	2.8
109.06592	11.1
113.02455	12.9
119.03494	11.6
123.04533	4.1
125.02447	17.9
125.09738	11.2
133.05069	3.3
137.09727	4.0
143.03558	4.8
151.11275	4.0
161.09647	4.1
163.11292	21.8
165.12891	11.7
179.05510	4.2
181.12300	5.8
185.11862	11.5
191.14456	17.5
207.10335	24.4
208.10674	6.2
209.11870	75.6
210.12256	11.7
221.06638	3.9
225.11319	5.4
226.11816	3.1
227.12910	11.5
235.08202	4.6
237.11346	4.7
245.19081	31.7
255.03018	2.9
263.20157	11.0
287.07632	3.8
289.18118	87.8
307.19220	100.0
381.28503	2.9
397.13483	51.6
415.14676	50.3
607.26215	6.6
673.33740	4.1
705.32727	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	763.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82870	21.9
130.96059	19.0
131.22391	20.8
153.18967	21.4
158.10872	20.6
163.30426	23.0
206.68716	21.0
227.12814	23.7
247.73663	21.2
255.23291	24.9
281.24936	100.0
354.62143	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	764.4451
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82888	0.3
61.98833	100.0
85.05193	0.3
97.69827	0.3
111.63704	0.4
117.64471	0.4
207.10313	0.5
210.12180	0.8
255.23338	2.8
256.23532	2.1
257.23901	0.8
410.57352	0.4
470.26178	0.5
485.44440	0.4
695.52832	0.4
757.26923	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3772
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37382	0.6
59.01389	12.5
59.03201	0.5
63.89640	0.8
66.82513	0.6
71.01383	5.7
72.99333	0.6
73.02976	1.0
76.15726	0.7
76.58428	0.7
77.54829	0.7
80.02692	1.5
81.03477	3.1
83.01450	0.8
83.05042	7.4
85.02982	1.4
87.00905	1.6
89.02473	3.6
95.05043	1.0
97.02968	5.2
97.06614	0.7
97.08580	0.7
101.02428	6.1
107.05063	1.0
109.06599	22.2
109.12465	0.6
110.03780	1.2
113.02476	2.8
120.30326	0.7
121.06607	1.3
125.09734	1.6
130.37764	0.7
135.08162	3.7
136.05360	1.0
138.87733	0.7
142.02760	1.1
161.04576	1.6
161.09683	2.5
163.11311	19.2
165.12813	2.9
171.10175	1.1
181.12357	6.1
182.57513	0.7
185.11929	1.1
207.10303	65.2
208.10686	0.8
209.11868	100.0
210.12288	0.9
221.11906	1.2
223.85022	0.7
225.11365	28.8
227.12971	9.0
235.08253	2.8
249.11305	1.4
253.09317	9.0
276.25623	0.7
281.13901	1.0
283.47449	0.7
299.15179	1.2
399.21777	4.6
417.22940	3.7
443.19583	3.0
445.20831	1.1
461.20517	7.3
467.82886	0.8
635.30878	16.4
653.31952	14.1
671.33075	22.3
672.34753	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
73.15449	93.0
87.60030	97.2
88.94915	100.0
137.64258	96.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4306
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	5.5
66.24686	4.8
67.55833	4.1
89.99724	6.3
94.53441	4.7
155.11774	6.7
183.13925	100.0
184.14204	10.8
209.11835	30.3
210.53915	5.1
227.12784	5.6
277.21680	29.3
278.22220	6.8
279.23160	11.3
723.43268	53.9
725.44348	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	761.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20253	0.4
59.01384	4.4
71.01382	2.6
73.02970	0.8
80.02680	0.5
83.05042	2.4
84.02096	0.5
86.57807	0.5
87.00909	0.6
89.02454	0.8
101.02438	3.2
120.41287	0.6
163.11279	2.3
165.12842	1.3
209.11868	51.9
227.12927	5.3
235.08296	5.0
253.09306	5.4
255.23335	100.0
256.23730	0.6
260.43982	0.6
491.32260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93034	0.2
60.99314	21.1
63.97697	0.2
70.19583	0.3
77.17528	0.3
87.00882	1.2
88.00401	1.3
88.98808	100.0
89.02440	2.3
92.10790	0.5
111.69225	0.3
159.14174	0.3
197.97569	0.3
209.11874	3.5
232.43661	0.3
258.13229	0.3
639.77039	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.3405
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.3
58.00607	0.5
59.01388	31.7
60.14063	0.3
61.49155	0.3
66.04382	0.3
71.01386	14.5
72.99314	1.4
73.02956	0.5
77.47300	0.3
83.01418	0.5
84.08268	0.3
85.02965	3.6
87.00858	0.5
88.69960	0.3
89.02445	15.4
94.28681	0.3
95.01387	0.7
99.00909	0.3
101.02444	9.3
104.44915	0.3
108.02137	0.3
109.02953	0.3
113.02451	5.5
119.03503	5.6
119.04877	0.5
123.04447	0.4
131.03569	0.4
133.01411	0.6
133.02962	0.7
134.03795	0.7
135.04539	0.6
143.03502	1.3
149.04570	0.4
151.04022	0.5
161.02467	1.4
161.04564	0.7
162.03249	70.8
163.04054	2.6
167.03531	0.7
177.05595	100.0
179.03502	0.4
179.05629	2.9
278.25330	0.3
357.11966	10.0
493.66455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91375	36.1
57.22594	43.6
61.98841	66.4
62.38941	44.5
62.40714	38.9
71.31257	47.1
128.30997	48.0
134.82515	58.7
157.68030	50.1
191.80728	47.9
197.11942	100.0
284.23630	52.8
291.19507	72.4
326.93912	48.8
384.30307	51.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75507	2.8
59.01389	4.2
61.98843	2.7
71.01402	3.3
73.90372	3.1
81.50766	3.1
83.05035	4.2
87.00893	7.9
100.46948	3.3
124.47728	3.9
141.77155	3.1
163.11385	6.1
195.13908	14.9
205.12416	7.5
209.11867	97.9
211.13419	3.7
223.13431	100.0
227.12979	8.0
253.09277	6.4
459.22571	19.6
651.34070	4.5
709.30359	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	761.4257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03871	16.7
54.83053	16.9
61.98844	24.7
63.51802	17.8
106.76801	19.9
176.01920	22.0
202.81531	21.0
209.11887	40.5
220.94316	23.9
279.23254	100.0
400.92703	19.8
761.42029	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.17435	0.5
58.65880	0.5
59.01383	4.7
60.61334	0.5
62.65509	0.5
69.54030	0.5
70.61781	0.5
72.99321	4.7
87.00880	15.1
92.66345	0.6
97.07513	0.5
103.00376	4.0
106.04321	0.5
107.05068	0.9
112.98848	0.9
117.03468	0.5
133.02948	2.4
134.03769	6.7
135.04532	100.0
141.87086	0.6
149.00934	80.6
151.00400	0.8
179.03517	91.5
243.43813	0.5
311.04187	11.0
416.21085	0.6
449.10858	0.7
543.46069	0.6
569.47296	0.6
690.41156	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.2
60.99322	22.9
66.85595	0.9
71.01366	1.2
86.92095	1.0
88.98807	100.0
89.02473	1.7
91.30254	0.9
92.66338	1.1
94.46232	1.0
188.17216	1.1
201.07874	1.1
209.11819	1.1
366.24786	1.4
543.99084	1.4
657.02533	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
58.42600	22.4
59.01399	30.5
61.98839	33.1
66.45378	22.2
80.41781	24.7
83.52776	22.7
87.30758	27.0
89.23300	21.6
93.18011	25.1
118.43237	24.4
143.81891	27.4
162.51271	22.3
197.11865	100.0
245.72668	24.7
291.19727	35.4
309.20728	43.8
411.36740	27.5
654.94220	23.8
725.42279	40.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83211	0.6
58.93587	0.5
59.01374	4.3
71.21120	0.5
72.99312	5.0
75.55591	0.5
87.00876	13.4
99.50876	0.4
103.00378	2.5
105.01952	0.6
107.05041	2.8
125.02427	0.6
130.99826	0.8
132.59785	0.5
133.02980	0.5
134.03743	7.0
135.04527	100.0
149.00926	68.7
179.03506	95.1
213.77446	0.5
252.67180	0.6
311.04120	8.1
737.94989	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.35386	0.1
59.01383	2.4
61.98826	0.2
71.01378	1.9
73.02966	0.2
83.01389	0.4
85.02973	0.2
87.00863	0.2
89.02453	0.3
89.03955	0.2
93.03487	0.7
97.02922	0.2
99.00922	0.2
101.02428	0.3
109.06600	0.3
113.02444	0.4
117.03469	40.4
119.05028	18.4
121.02936	0.3
125.02364	0.2
132.05827	0.2
133.06639	0.3
145.02966	100.0
146.03308	0.8
159.04512	0.2
161.04745	0.2
161.06097	1.2
163.04015	15.2
163.11211	0.3
164.43126	0.2
171.10246	0.9
187.03989	0.7
197.11916	0.2
205.05078	1.0
207.10309	1.5
209.11891	0.4
215.73463	0.2
225.11423	0.9
235.06229	0.3
265.07196	0.7
289.07251	1.4
307.08289	0.3
453.11996	1.5
471.12784	0.2
511.14319	0.4
529.16089	0.7
553.15686	3.7
553.22504	0.2
571.17029	2.1
595.16821	2.0
613.18237	0.9
675.19818	1.1
699.19666	0.3
717.20618	5.7
759.21478	6.7
759.34265	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.41
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45814	43.4
61.74707	42.3
63.36183	42.8
64.34804	45.6
65.34620	38.2
70.44463	37.6
78.95899	100.0
85.67503	51.6
95.12952	54.8
103.54037	49.0
116.92872	60.5
248.53410	60.7
362.14688	47.8
515.03790	53.8
546.80884	48.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.1365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	10.2
59.01390	1.6
83.01409	1.7
85.02985	1.7
87.00890	1.8
93.03463	2.1
99.84095	1.3
99.84738	1.2
105.03510	1.7
107.05060	2.0
109.02960	6.4
119.05041	6.1
121.02947	1.9
123.00888	1.7
123.04511	1.6
124.01705	2.1
125.02451	100.0
133.02982	8.9
135.04549	1.7
137.02451	15.3
139.04057	4.7
147.04478	1.3
149.00951	3.0
149.02473	8.1
149.06122	2.1
151.04021	11.3
161.02469	18.0
163.00368	5.4
163.04008	12.3
164.01157	3.2
165.01926	5.6
167.03523	5.9
169.01465	10.2
175.00395	2.0
175.04027	16.8
176.01308	1.4
177.01950	61.9
177.05525	2.2
179.03508	7.9
187.03905	1.3
191.03581	1.4
192.75551	1.3
193.01366	1.8
193.05090	1.7
199.04031	2.2
201.05632	4.4
211.04123	1.3
213.05600	1.5
215.03734	2.3
216.80502	1.1
217.05048	8.1
219.02928	4.9
219.06686	1.6
227.03537	2.7
229.01326	1.5
229.05110	2.6
239.05621	1.9
243.02960	15.3
255.03017	14.3
256.03720	1.6
261.04056	8.1
269.04504	5.5
283.02585	2.8
285.04071	5.3
287.05640	7.0
297.04108	3.0
301.03580	2.6
303.05151	5.3
305.06778	16.5
405.06238	2.5
423.07315	44.3
441.08496	2.4
465.08578	1.8
483.08984	1.7
591.11182	1.8
609.12689	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	757.4393
Annotation	Unknow
Peak:m/z	Relative Intensity
58.19853	3.3
59.01387	6.6
61.98841	4.9
65.45771	3.2
71.01375	91.6
71.01712	4.9
72.87880	3.0
78.95893	4.0
89.02471	4.6
94.92448	3.2
101.23592	3.6
108.02906	3.4
171.10287	85.6
199.09845	4.5
207.10258	8.8
225.11343	5.3
253.09319	7.3
277.21753	100.0
300.85959	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	759.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.2
65.67413	0.4
69.43606	0.4
72.99310	3.0
87.00877	11.1
87.01372	0.7
92.10819	0.7
103.00352	4.4
104.51232	0.4
105.01966	0.4
109.02942	0.5
112.98825	5.1
119.05026	69.3
125.02423	4.1
130.99887	0.9
133.01463	0.9
147.02994	0.6
149.00934	36.9
163.04024	100.0
169.01454	2.6
246.28329	0.4
255.03119	0.9
271.02454	2.7
289.07230	1.7
295.04633	24.2
300.02753	4.6
301.03568	2.4
441.08298	1.4
463.08813	3.0
537.89227	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37080	0.3
53.60739	0.2
59.01388	5.2
72.99314	5.0
80.97317	0.3
87.00877	16.1
87.03001	0.3
91.05538	0.4
93.91703	0.3
103.00397	3.7
105.01973	0.6
107.05047	2.0
112.98830	1.4
117.03455	0.3
130.99904	0.6
133.02986	2.7
134.03773	5.8
135.04536	100.0
136.04916	0.7
149.00938	88.9
150.01289	0.4
151.00285	0.3
161.02417	0.3
177.01985	0.8
179.03525	96.1
180.03807	0.5
196.47015	0.3
216.46361	0.3
255.02988	0.6
271.02414	0.7
300.02695	1.8
301.03403	1.2
311.04126	12.2
447.09409	0.7
705.68628	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.1424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.93607	0.5
56.10395	0.5
59.01383	7.3
60.19073	0.5
67.57042	0.6
69.53696	0.7
72.99316	3.3
75.25090	0.5
81.64178	0.7
82.74430	0.6
87.00885	12.4
103.00385	4.9
109.02984	0.8
112.98788	5.8
119.05040	73.4
125.02471	6.1
130.99860	1.0
133.01416	0.9
149.00931	34.6
163.04028	100.0
169.01411	3.9
186.78856	0.7
208.74275	0.7
255.02957	0.7
267.00067	0.6
271.02542	2.7
295.04633	25.6
300.02719	4.7
301.03455	0.8
390.38266	0.8
441.08466	1.2
452.75729	0.8
463.08920	2.7
498.63370	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05133	3.7
54.82856	3.7
59.01395	8.7
61.98850	21.7
66.77585	3.6
71.01402	22.5
82.67500	3.6
82.95425	6.7
83.05045	18.8
84.95143	7.2
89.02471	4.2
90.51408	4.0
92.10104	9.8
96.96028	10.2
99.00920	7.3
101.02441	5.3
109.06574	10.0
111.35897	4.4
132.71196	4.2
139.69801	4.3
148.95018	3.9
163.11305	24.0
181.12399	16.6
196.89621	4.1
199.13448	15.8
207.10271	70.0
209.11884	100.0
225.11337	74.4
227.12921	18.4
229.15340	4.2
243.12424	20.0
253.09288	5.6
313.59860	4.3
422.81744	4.3
428.47351	4.8
461.20395	22.7
479.21619	9.5
541.58319	4.7
635.31390	7.4
653.30829	16.6
671.33490	21.7
689.33698	30.2
721.36395	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	757.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	10.0
59.04464	5.2
67.34351	6.6
70.17142	6.0
83.89063	6.9
111.41869	7.3
113.02461	6.4
171.10294	59.4
207.10252	10.3
209.11848	100.0
225.11372	33.7
227.12978	11.5
235.08081	7.8
253.09441	7.7
255.10818	6.8
461.20587	8.5
493.43344	8.7
671.33051	13.3
725.31647	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	757.4018
Annotation	Unguisin A
Peak:m/z	Relative Intensity
54.67346	1.9
54.82839	2.3
59.01384	5.3
66.60226	2.0
68.39502	2.4
71.01402	5.2
73.02953	2.2
77.09351	2.5
80.18161	2.1
82.95409	22.2
86.49985	2.7
87.00898	3.3
89.02497	4.0
97.06578	4.4
97.47624	2.3
101.02476	3.7
105.29265	2.1
113.02423	3.2
151.11281	12.0
169.12332	100.0
185.11818	5.8
197.11862	9.6
199.87524	2.4
209.11855	21.0
211.13397	3.5
213.11349	5.3
307.19302	14.6
449.20544	5.3
739.38824	3.5
757.40033	58.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.6
57.03455	14.0
59.01382	6.8
65.21705	0.4
67.01897	0.5
68.99834	0.6
71.01379	7.0
72.99322	1.9
73.02960	2.0
75.00880	2.6
75.47070	0.4
76.27834	0.4
83.01380	7.2
84.02180	2.3
85.02950	67.7
87.00878	2.1
89.02493	0.5
95.01353	0.4
99.00876	0.4
101.02438	7.4
103.00380	0.6
103.04026	0.9
105.03452	0.4
109.02929	0.8
111.00882	29.7
119.03617	0.4
119.05041	4.1
125.02438	2.9
129.01930	23.4
133.02968	2.3
135.04549	2.4
145.02974	0.6
147.03009	5.9
150.98242	0.4
154.06178	0.4
160.01685	2.2
161.04610	3.0
163.02704	0.6
163.04054	2.1
175.04031	2.4
177.01938	0.9
179.03490	2.2
187.02504	2.6
193.05037	0.5
204.39008	0.5
205.01578	0.9
205.03552	35.8
223.04620	100.0
230.49297	0.5
243.02657	0.4
283.02460	0.7
284.03021	0.8
285.03943	1.0
286.04355	0.7
355.10806	0.5
369.08301	9.1
594.15918	0.6
595.15161	0.6
641.75726	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4224
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	7.7
59.76521	0.7
61.98834	1.6
71.01391	4.7
71.05006	0.9
73.49509	0.8
78.85097	0.8
83.05035	5.8
84.02190	1.0
85.02939	1.1
87.00865	0.9
89.02409	1.7
97.06590	0.8
101.02454	4.2
113.02449	1.2
125.80010	1.0
163.11293	3.6
165.12871	3.7
171.10338	1.3
195.13918	4.0
197.11880	1.3
198.64003	0.9
207.85103	1.0
209.11861	100.0
210.12161	0.9
211.13480	1.8
213.10556	1.0
220.58571	0.9
221.15468	3.8
223.13484	1.7
227.12849	10.0
235.08331	1.7
236.10484	0.9
253.09340	8.1
291.19687	10.5
309.20752	25.7
339.14325	0.9
419.68964	1.2
429.15588	0.9
489.04013	1.1
619.73816	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73231	1.7
57.03451	2.8
59.01395	28.3
61.98841	2.3
63.21539	1.8
71.01393	65.2
73.02963	2.6
81.03479	3.2
83.01407	1.6
83.05049	11.1
85.02965	3.5
87.00912	2.1
89.02459	9.0
92.10787	1.8
97.02947	7.0
99.00903	2.3
101.02453	12.3
102.26742	1.7
105.54492	1.8
109.06601	19.1
111.08181	15.3
113.02457	4.3
116.28289	1.7
118.84518	1.9
122.94544	1.7
125.09696	2.2
130.06602	1.8
135.08153	7.3
154.44525	1.8
155.10782	3.1
161.09695	2.2
163.11288	20.6
165.12865	4.0
167.10852	6.3
171.10294	37.6
179.10834	3.8
179.14465	2.0
181.12320	4.5
183.13904	3.5
185.11859	2.6
189.09277	2.1
189.48788	2.0
195.13940	19.9
199.09753	2.1
201.11346	12.0
207.10283	53.7
209.11861	72.9
216.53006	1.7
223.13367	7.9
225.11371	40.9
227.12914	8.7
235.08366	4.1
243.22945	2.1
253.09344	27.8
275.20160	10.6
281.47562	2.0
291.19717	84.1
293.21280	100.0
309.20795	3.2
357.53275	1.8
461.20193	7.3
737.41449	9.5
755.42035	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	757.163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.35099	0.2
57.03450	1.0
59.01398	0.4
65.00316	0.5
72.99323	0.6
83.01385	0.5
85.02959	3.4
101.02460	0.4
103.84084	0.2
107.01366	1.9
109.02967	0.6
116.92887	0.3
119.05031	4.9
120.82893	0.3
124.01664	2.2
125.02438	1.5
129.01950	1.5
135.00899	0.3
136.01648	0.3
137.02461	3.2
147.03001	11.0
150.99170	0.3
151.00389	7.9
152.01184	1.1
155.97551	0.3
161.02463	0.3
163.00388	1.5
163.04018	4.3
164.01160	1.7
169.01447	1.1
171.25148	0.3
177.01990	0.3
178.99873	7.8
187.04015	0.4
190.99904	0.3
192.00647	0.4
199.04042	0.5
203.03485	0.4
204.04196	0.3
204.64351	0.3
214.00797	0.5
214.02737	6.4
215.03586	0.4
219.03087	0.3
227.03532	1.1
231.03018	0.3
232.03772	0.4
242.02229	5.6
243.03047	3.3
255.03018	0.4
259.02499	4.6
270.01743	7.4
271.02518	40.5
272.02881	0.5
287.02020	22.0
288.02765	1.7
299.01984	0.4
316.02292	100.0
317.03040	16.6
359.41846	0.3
449.27469	0.3
463.08948	82.0
464.09390	1.2
591.76630	0.3
692.97833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4231
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.4
57.03456	0.8
59.01382	6.2
61.98826	0.5
67.59812	0.4
69.03463	0.5
70.80093	0.4
71.01379	4.4
71.05029	0.4
73.02954	0.5
80.02686	1.8
81.03455	2.0
83.01374	0.8
83.05023	6.5
83.05384	0.4
84.02180	1.7
85.02943	1.6
87.00874	0.5
89.02442	3.2
95.05007	1.5
97.02915	0.6
101.02427	4.2
109.06558	0.6
111.08147	0.5
113.02439	1.6
116.92882	0.5
119.03489	0.7
119.65134	0.4
123.08118	0.4
125.06130	0.7
125.09753	0.9
135.08203	0.7
141.12842	0.4
147.11742	0.5
161.04541	0.9
163.11287	9.0
165.12846	8.3
171.10280	2.4
175.11198	0.8
179.14433	2.2
181.12344	2.9
191.10809	1.7
193.16005	0.8
197.11810	1.6
202.14569	0.4
207.10118	0.5
209.11853	100.0
210.12204	0.8
211.13434	0.6
223.13409	2.3
227.12909	10.1
235.08192	0.9
247.20673	7.1
253.09334	8.5
268.65897	0.5
273.18558	2.5
291.19696	60.7
292.20029	0.7
309.20767	56.5
310.21252	0.6
311.20441	0.5
329.21109	0.9
347.22440	0.8
370.89554	0.5
521.91089	0.5
737.41492	0.5
738.35120	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.4
57.03470	0.9
58.00636	0.4
59.01394	9.0
59.01687	0.5
61.98858	0.4
63.70667	0.3
69.03480	0.6
71.01389	6.6
71.01725	0.4
71.05037	0.4
73.02959	0.6
80.02718	2.0
81.03479	1.7
83.01419	0.6
83.05036	6.4
84.02178	0.8
85.02998	1.8
87.00914	0.5
89.02434	5.4
95.01388	0.5
95.05058	0.9
97.06609	2.2
101.02434	5.2
109.06609	0.6
111.08173	2.2
113.02454	3.2
113.09756	2.4
115.07683	1.6
119.03527	0.7
125.02612	0.5
125.06076	0.9
125.09766	0.6
126.06898	0.5
127.07563	0.5
135.08171	1.6
139.11249	0.6
141.09258	0.9
143.03481	0.8
151.11327	0.6
151.54706	0.4
153.12888	0.9
161.04558	0.8
163.11305	6.4
165.12814	7.2
167.10736	0.6
167.14452	2.9
171.10289	1.0
179.05603	0.4
179.14337	0.5
181.12343	4.8
183.13853	1.7
191.10834	0.5
193.12364	1.8
193.15973	0.4
195.13986	2.2
197.11879	0.9
199.13420	0.6
207.10310	1.7
209.11867	100.0
210.12288	0.7
211.13417	5.3
213.15015	0.5
221.15526	3.4
225.11519	0.9
227.12915	12.2
229.14537	0.8
235.08224	3.0
239.12927	0.5
240.13675	0.8
247.20683	5.0
253.09325	9.2
255.15944	0.6
257.17517	0.7
263.20251	0.6
265.21698	0.7
273.18646	4.4
281.21277	1.8
283.33331	0.5
291.19690	44.8
292.19949	0.6
293.21222	0.6
307.19189	0.7
309.20761	85.8
310.21124	0.7
311.22278	0.6
423.37115	0.4
501.32031	0.4
527.28729	1.5
545.29785	11.4
686.35406	0.5
704.34650	0.4
705.69061	0.5
719.39520	0.8
737.40521	2.3
755.41968	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	755.4237
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73576	0.9
57.03463	1.4
59.01383	10.2
61.98845	1.2
64.35228	1.0
71.01375	7.9
73.02944	1.6
74.52442	1.1
76.59534	1.1
80.02663	1.8
81.03478	1.5
83.05036	6.8
84.02181	1.7
85.02962	2.0
89.02464	5.0
95.05084	1.8
101.02454	5.9
109.06602	4.3
111.08214	3.9
113.02470	2.1
125.09664	1.0
127.11314	1.8
135.08194	1.4
153.97067	1.1
155.10831	1.3
163.11293	10.2
165.12888	2.1
171.10265	31.3
181.12413	2.3
182.00006	1.2
185.11862	1.8
188.87857	1.1
191.10927	1.4
195.13905	5.4
196.60068	1.1
197.11989	1.2
201.11348	17.0
207.10277	14.5
209.11861	100.0
218.94911	1.2
223.13539	2.2
225.11305	22.3
227.12918	6.9
253.09302	11.0
275.20297	1.4
291.19696	28.0
293.21228	29.4
461.20544	4.5
515.83636	1.3
755.42139	2.2
767.05249	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.4229
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82594	0.7
57.03467	0.8
59.01384	9.4
61.98836	1.6
65.12474	0.8
71.01379	6.6
80.02699	1.1
81.03472	1.4
83.05034	7.4
84.02185	1.2
85.02975	1.0
89.02442	3.4
94.68006	0.8
95.05085	1.1
96.96024	1.1
97.06633	0.9
101.02428	5.9
109.06593	2.0
110.13678	0.8
111.08148	1.9
113.02438	3.3
115.07958	0.8
127.11286	1.2
141.75920	0.8
153.12839	5.0
161.04539	1.0
163.11310	5.6
165.12906	6.2
169.01376	0.8
171.10300	3.3
179.14417	2.1
181.12410	7.7
183.13925	4.4
191.10785	1.6
192.48685	0.9
193.15953	0.9
197.11858	3.4
199.13435	1.6
207.10364	1.1
207.13948	1.6
209.11850	97.3
215.12985	1.3
225.11400	1.4
226.11987	0.9
227.12930	14.3
228.13654	1.0
235.08247	1.8
247.20697	5.7
253.09337	10.3
273.18674	1.8
281.21439	1.8
291.19681	37.2
303.74603	0.9
309.20761	100.0
358.90109	0.9
444.04932	0.9
499.38882	0.9
527.28754	1.0
545.29761	19.0
566.03149	0.9
737.41071	1.9
755.41309	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.2051
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
57.01632	0.2
59.01407	0.5
63.02409	1.0
65.00339	0.4
79.51043	0.2
83.01423	0.5
89.02462	0.3
93.03443	0.7
96.96012	3.9
107.01397	3.0
113.65038	0.2
117.03481	0.3
119.05103	0.3
121.02995	0.2
125.02472	1.4
132.02194	1.4
135.00893	1.2
143.05013	0.4
150.99184	0.3
151.00394	6.0
152.01193	0.3
155.05132	0.2
157.06604	0.4
159.04536	0.5
161.02344	0.3
163.00397	1.5
164.01199	1.2
165.01927	0.3
167.05051	0.3
169.01460	1.6
169.06433	0.3
171.04575	0.3
177.01962	0.3
178.99890	1.3
183.04533	1.1
185.02545	0.3
185.06120	1.1
187.04037	0.9
189.05565	0.4
191.50273	0.2
193.05052	0.3
195.04526	0.3
197.06087	0.2
199.04028	0.5
200.04855	0.3
201.05707	0.3
211.04082	2.5
213.01855	0.3
213.05620	0.9
225.51410	0.2
227.03543	49.7
228.04175	0.5
228.93111	0.2
229.05067	3.8
239.03500	1.1
240.04265	0.3
241.05055	0.9
246.71213	0.2
255.03030	87.3
256.03751	5.4
257.04602	3.4
261.99359	0.3
283.02524	3.2
284.03311	100.0
285.04077	23.0
309.04126	0.4
327.05127	0.5
389.25668	0.3
575.14038	0.9
659.49152	0.3
722.91455	0.3
755.20526	43.6
756.21069	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	755.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94096	6.9
59.01394	11.7
61.98839	100.0
83.05038	7.4
96.96049	33.4
109.06648	14.0
112.59738	7.7
163.11272	15.5
181.12367	8.5
207.10281	45.2
209.11855	46.3
225.11378	53.0
273.17020	29.8
327.35156	9.3
522.04614	8.7
638.32971	8.8
669.31372	9.8
687.32721	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	755.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
56.39358	8.0
61.98832	100.0
62.11270	7.5
63.24814	8.0
69.28841	9.0
92.10046	19.6
96.96020	64.9
106.73856	9.0
118.49186	12.0
148.13005	9.4
163.11255	23.4
181.12241	11.4
207.10327	50.1
209.11838	21.8
225.11354	61.6
227.13089	12.1
243.12451	13.0
655.68402	12.5
687.32300	21.3
719.34167	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	755.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52072	12.9
54.68992	15.7
61.98843	22.1
87.71458	15.0
93.33867	17.4
116.92870	100.0
117.92847	36.7
118.92690	20.6
124.66232	16.1
241.09570	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83086	1.0
56.93127	1.0
58.00620	1.2
59.01398	7.5
61.98843	7.4
68.12639	1.0
71.01400	5.5
80.02692	1.4
81.03477	1.5
83.01392	1.2
83.05048	7.6
86.11553	1.1
87.00919	1.2
89.02446	2.6
95.05094	1.3
96.96052	1.3
97.02932	1.2
99.87983	1.1
101.02452	4.8
109.06583	1.6
113.02470	1.9
123.04510	2.0
125.09722	2.1
135.08228	1.1
137.09779	1.4
163.11264	11.7
165.12845	2.7
173.09814	1.3
181.12346	2.0
185.11852	4.7
188.34166	1.2
191.14424	5.4
207.10287	4.8
209.11861	100.0
225.11250	4.5
227.12910	10.4
235.08313	1.9
242.58920	1.2
245.19125	9.6
253.09319	10.7
289.18121	38.9
291.19589	1.3
307.19159	13.6
308.14276	1.3
393.17834	1.4
433.29971	1.2
556.69409	1.6
567.00836	1.3
735.38959	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	753.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.27294	3.7
56.15662	3.9
59.01389	40.1
61.98853	5.3
64.79963	3.9
71.01398	18.8
76.40498	4.1
83.05087	5.6
87.24617	5.7
87.99509	3.9
89.02455	7.1
92.10126	19.8
94.12622	4.1
95.05051	7.6
97.02952	8.4
99.00899	5.2
101.02452	6.9
109.06607	32.4
116.22459	5.3
121.03019	5.3
123.04519	10.5
123.36933	5.0
123.94688	4.5
125.02474	5.1
125.09806	6.9
163.11316	22.8
171.10405	5.4
181.12440	8.3
207.10309	100.0
209.11798	44.8
211.13423	8.7
212.93167	4.6
221.15683	4.8
224.62437	4.8
225.11342	28.4
253.09204	8.0
270.04950	4.4
289.18069	18.8
291.19699	51.1
307.19318	23.5
309.20752	61.9
373.23889	5.7
391.25006	6.0
461.19858	7.5
481.29498	9.7
499.30795	8.9
543.28009	7.1
545.30298	5.8
717.39069	18.1
735.39746	65.8
753.40826	38.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4078
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12090	2.5
57.03474	3.3
59.01385	24.9
61.98849	17.3
71.01403	14.2
78.95934	4.6
81.03484	5.6
83.05074	3.1
85.02964	3.8
89.02448	4.1
92.10134	4.1
97.02950	5.8
101.02459	7.1
109.06589	37.8
112.61694	3.2
121.06600	3.6
125.09708	7.1
127.61008	3.0
135.08223	5.2
161.04581	3.8
163.11270	30.6
165.12881	5.3
169.12341	3.6
181.12398	11.4
191.06569	3.6
197.11784	6.4
207.10306	100.0
209.11926	27.7
211.13400	4.7
223.13631	3.3
225.11395	55.1
247.20602	3.8
253.09364	6.2
274.82156	3.1
289.18253	3.6
291.19727	72.4
307.19379	6.3
309.20804	58.3
321.98331	3.0
376.61737	3.1
461.20355	6.0
602.77191	3.5
735.40027	15.8
746.10229	4.0
753.40881	56.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	13.7
61.98846	11.3
71.01396	10.0
78.95922	2.6
80.02703	1.8
81.03458	4.6
83.05032	8.3
85.03014	2.2
89.02472	4.5
97.02936	3.8
101.02437	3.6
102.46699	2.1
109.06587	11.8
111.08201	3.1
113.02473	1.9
114.75002	2.1
119.31618	2.0
125.06111	2.1
125.09716	2.9
135.08167	3.4
139.92632	2.0
163.11314	19.4
165.46417	2.2
181.12378	3.4
185.11858	3.0
191.14450	2.5
197.11835	18.1
207.10344	36.4
209.11897	100.0
211.13470	3.1
217.03854	2.1
225.11386	22.9
227.12904	8.6
245.19153	5.2
253.09325	14.7
266.34271	2.0
289.18039	26.5
291.19693	4.3
307.19141	19.3
309.20926	14.4
356.43048	2.1
461.20251	3.6
527.07404	2.4
671.06647	2.3
753.40405	14.5
774.81262	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	753.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79992	1.9
59.01388	11.7
61.92993	2.3
61.98835	68.3
71.01380	50.0
78.95934	2.3
80.91677	24.6
83.05059	11.4
84.78906	2.4
85.02953	2.1
89.02457	3.2
96.95959	2.1
97.02971	2.8
101.02454	2.8
105.25036	2.1
109.06631	17.8
109.17233	2.2
110.06458	1.7
113.02417	2.6
125.09788	2.6
135.08192	3.6
149.87598	2.5
163.11307	9.7
171.10255	12.7
181.12346	2.3
191.40758	2.0
197.11862	5.2
201.11319	4.9
207.10315	42.5
209.09843	3.8
209.11845	100.0
225.11414	20.4
225.13255	2.4
227.12932	4.9
247.09587	2.8
253.09174	4.8
265.38928	2.4
397.34949	2.4
417.22787	2.8
461.20261	3.4
671.32690	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	752.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48837	0.3
61.98843	100.0
64.35767	0.3
67.59514	0.3
69.18793	0.3
71.01392	0.3
86.61848	0.3
92.10083	0.7
144.23473	0.3
209.11865	0.8
214.34358	0.3
453.93631	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.9
68.61851	0.3
68.97832	0.3
72.99312	5.3
87.00877	16.4
92.10720	0.8
92.66516	0.4
103.00378	3.5
105.01984	0.6
105.36829	0.5
107.05050	2.0
110.77971	0.5
112.98801	0.5
125.02454	2.8
133.02931	1.9
134.03769	4.9
135.04535	100.0
149.00932	87.1
149.01845	1.9
159.40883	0.4
169.01433	2.1
177.01930	0.8
179.03516	91.7
180.03740	0.5
181.28088	0.4
271.03217	0.4
272.28510	0.4
289.07086	0.6
311.04144	13.8
331.06906	0.5
339.16254	0.4
419.68762	0.5
441.08282	1.6
498.56992	0.5
778.88690	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	753.3022
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82262	1.4
56.09727	1.7
58.94389	1.7
59.01384	10.0
61.98841	9.1
70.71447	1.9
71.01386	5.0
79.95737	46.5
80.96518	74.3
83.05039	9.3
84.02197	2.3
89.02471	3.2
96.96013	65.2
101.02432	4.6
109.06583	7.9
109.94347	1.9
114.39767	2.1
115.46616	2.1
125.02441	3.7
151.21648	2.2
163.11263	8.3
165.12840	3.3
199.09718	2.7
207.10275	8.5
209.11868	98.9
225.11302	3.4
227.12862	4.2
525.14655	2.3
657.31537	2.2
732.74200	2.1
753.30121	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	753.3486
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92471	4.9
60.24546	6.1
61.98837	100.0
63.23780	5.3
71.01405	9.0
96.95992	9.5
98.74117	5.8
101.02467	6.7
117.78600	5.4
125.87670	5.4
128.91603	5.7
207.10274	13.4
209.11893	34.4
211.13535	7.7
237.14934	22.4
239.12955	8.9
293.21231	23.5
294.21664	9.8
375.98306	7.4
405.13028	6.3
407.47549	6.0
683.03802	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	753.3924
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14140	1.3
54.59114	1.4
57.03454	1.4
59.01394	9.8
61.98834	79.9
67.53982	1.6
71.01385	59.6
71.01775	2.2
73.02950	1.5
81.03475	3.1
83.05043	5.8
84.02266	1.5
87.00936	1.8
97.02956	3.5
101.02441	3.3
109.06580	14.4
135.08183	2.1
137.41289	1.5
163.11287	15.9
165.12843	2.8
171.10266	14.8
181.12355	2.4
185.11850	1.9
197.11824	2.0
201.11360	7.3
207.10287	35.7
209.11868	100.0
225.11377	24.1
227.12956	6.7
243.12184	1.6
245.49638	1.6
253.09377	7.3
270.12549	1.5
399.21490	1.9
417.23257	2.0
418.02646	2.0
461.20532	7.5
464.93369	1.8
519.28961	1.7
610.47565	1.8
653.31891	2.3
671.32941	8.1
731.69006	1.9
739.52557	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	751.3774
Annotation	Unknow
Peak:m/z	Relative Intensity
56.08611	0.8
59.01402	5.1
61.98835	6.8
71.01395	3.1
75.00880	3.0
81.03508	0.8
83.05054	3.5
84.02203	1.0
85.02975	1.5
85.95275	0.8
88.79192	0.7
89.02477	1.3
99.00918	1.4
101.02449	1.4
111.73772	0.8
113.02489	1.8
125.09760	0.9
154.87045	0.8
157.96059	0.8
163.11307	4.9
165.12851	1.6
178.70662	0.9
191.10820	1.7
209.11865	100.0
227.12909	11.0
253.09398	2.0
272.84457	0.8
308.58847	0.8
424.73270	1.0
445.20895	1.6
551.53387	1.0
567.59021	1.0
687.32367	3.6
719.35248	5.9
751.37781	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	751.3773
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00321	0.6
53.96223	0.6
55.01892	1.7
57.03459	3.2
58.00611	1.5
59.01388	20.3
61.98838	12.3
68.99828	3.0
69.03455	6.5
71.01385	100.0
72.99326	0.9
73.02956	4.8
80.02670	1.1
81.03460	4.4
83.01405	4.5
83.05032	6.5
84.02184	3.2
85.02963	4.5
87.00883	8.3
87.04978	0.9
89.02438	5.7
93.03479	0.9
95.01398	1.1
95.05041	2.8
97.02948	12.4
97.06581	4.2
99.00874	1.0
99.04475	0.8
101.02440	7.0
106.04271	0.8
107.05032	1.3
109.02984	1.4
109.06585	16.6
110.03739	2.8
111.04564	6.2
111.08116	1.1
113.02452	2.9
119.03522	0.9
121.06541	1.1
122.03719	1.7
123.04514	4.4
123.08131	5.3
124.81174	0.7
125.09713	11.9
127.11318	1.3
135.08176	4.3
136.05325	3.6
137.09738	1.7
142.02684	5.4
149.09749	1.0
151.11319	3.9
153.09198	3.0
155.10796	1.1
161.04544	3.0
161.09740	6.7
163.11285	16.2
167.10803	1.1
171.10281	25.2
177.09198	3.7
179.10771	12.1
181.12338	4.6
185.11835	5.1
187.09782	1.5
189.09148	1.3
191.10812	1.2
195.10173	1.2
197.11787	7.1
199.09735	1.7
201.11333	9.0
202.54114	0.7
205.08730	12.9
207.10283	61.6
209.11836	6.6
210.12248	1.2
211.13481	2.9
213.11386	4.7
223.09775	24.8
225.11348	16.6
226.12134	1.0
239.12920	18.5
241.10852	3.2
253.09314	8.4
265.86530	0.8
273.17105	52.7
415.14301	0.8
435.12640	0.8
459.18842	1.8
461.20554	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	750.1901
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	0.7
63.20518	0.2
70.02989	0.6
71.01385	6.6
73.61481	0.2
73.93810	0.2
88.04047	78.7
91.05527	2.6
96.96033	0.4
97.62949	0.3
101.60273	0.3
114.01984	5.1
115.00375	13.8
125.02433	0.4
132.03033	100.0
133.01428	0.5
134.06125	0.6
135.04526	3.3
145.62578	0.3
206.08287	1.4
232.06087	0.3
237.04044	0.3
250.07242	69.0
251.07483	0.7
260.19769	0.3
382.73618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.3195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92090	0.1
57.87140	0.1
58.60469	0.1
59.01387	0.2
60.66735	0.1
61.98832	100.0
73.40895	0.1
76.34412	0.1
100.60493	0.2
142.17038	0.2
144.39783	0.1
151.08836	0.1
207.10283	0.2
209.11806	1.0
210.12143	0.2
211.13528	0.3
225.19398	0.2
238.45073	0.1
248.96918	0.1
293.21063	0.6
316.56757	0.2
412.55588	0.2
437.81079	0.2
514.02209	0.2
698.43658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	2.2
57.21498	1.3
59.01391	16.3
61.10917	1.7
66.38275	1.1
71.01395	20.2
71.37441	1.5
72.99320	3.8
73.00169	1.4
73.02942	1.4
75.00883	20.9
85.02985	21.0
87.00888	3.8
89.02473	3.4
95.01408	5.9
99.00881	15.8
103.00439	2.2
109.06627	2.0
113.02462	20.0
117.01965	3.3
149.20383	1.5
163.11261	2.5
171.10309	16.6
199.09793	3.3
207.10297	7.0
225.11389	1.9
242.86021	1.8
255.23346	100.0
267.33487	1.7
422.05167	1.7
435.25586	1.7
505.30521	6.8
633.27277	1.9
659.40155	23.3
687.39514	17.8
713.41394	26.8
731.42676	15.2
747.69342	1.7
749.43463	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	749.3971
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19701	1.0
56.11993	0.9
59.01381	6.2
60.99308	2.6
61.98839	1.8
64.53429	1.2
70.75057	1.1
71.01386	7.8
73.02960	1.7
83.05025	4.3
88.98814	13.5
89.02431	2.5
91.22326	1.1
94.57985	1.1
101.02441	2.6
102.84755	1.1
113.02424	1.5
113.15756	1.2
132.17297	1.2
137.83232	1.2
163.11253	5.1
165.12747	2.0
169.01405	2.0
171.10172	1.2
183.13890	6.1
193.12225	1.3
209.11859	100.0
210.12210	1.1
211.13429	83.0
227.12843	8.9
235.07968	1.2
253.09242	6.7
291.19662	6.4
397.13190	1.4
445.20850	1.8
447.22354	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	749.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81763	2.6
59.01392	5.3
62.10312	2.2
63.91049	2.1
83.01378	9.9
107.01431	5.5
109.03042	2.7
112.56123	2.4
123.04518	46.9
125.02438	30.8
134.03729	28.6
135.04546	4.6
135.75110	2.3
149.06064	17.5
151.00394	23.1
151.04100	3.6
165.01981	4.7
167.03499	100.0
169.01451	9.4
177.01883	3.1
191.03487	4.1
225.05661	5.5
253.04915	4.5
257.04453	2.8
259.06000	2.5
267.03229	2.6
267.06479	3.9
269.04504	9.9
285.07632	2.7
329.08771	4.3
419.11356	26.0
587.15643	37.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2095
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70650	1.9
57.03458	3.1
58.55155	2.0
59.01399	4.4
59.24165	1.7
64.34760	2.6
65.00330	4.6
71.01390	4.7
73.02947	2.3
81.03460	7.7
83.01409	12.5
87.00887	2.1
88.73553	2.0
95.04952	2.2
101.02412	3.0
107.01401	8.3
109.02966	2.5
123.04524	41.6
125.02441	29.0
128.14441	2.0
134.03764	26.6
137.02484	2.8
149.06120	18.2
151.00366	20.3
163.04002	2.5
163.11214	2.1
165.01979	3.1
167.03525	100.0
170.13617	2.3
171.10294	17.6
177.01962	3.7
191.03554	11.2
201.11238	3.0
207.10304	2.3
209.11874	44.7
225.11314	11.8
227.12849	4.5
243.02823	2.5
253.05138	5.0
253.09309	2.7
257.04541	2.7
259.06110	4.0
267.06708	3.5
269.04550	10.3
285.07715	2.7
311.05441	2.3
329.08969	3.1
404.98492	2.0
419.11441	20.3
461.12650	2.3
587.15692	30.5
671.40686	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	748.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	27.5
59.27691	4.1
71.01403	8.9
78.66939	3.8
89.02445	17.5
101.02451	6.7
119.03452	6.1
123.93981	3.6
128.29034	4.1
211.72012	3.7
225.22365	5.4
418.62646	4.1
470.63016	4.3
532.47546	18.7
669.18317	5.0
712.53864	100.0
748.51416	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	749.195
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66173	0.4
57.03461	2.2
59.01389	18.3
63.02411	2.1
65.27896	0.5
71.01386	8.1
71.12660	0.6
71.83694	0.5
72.99328	0.9
83.01408	4.5
85.02950	1.8
87.00893	0.5
89.02457	5.3
95.01347	0.7
101.02451	3.1
107.01407	8.0
113.02444	1.2
119.03522	0.6
120.36876	0.5
125.02468	13.2
133.02977	0.7
151.00389	15.9
152.01158	1.0
165.01938	0.9
169.01430	2.1
175.04077	0.7
177.01988	5.5
178.99893	9.2
197.06123	3.2
198.03270	0.8
199.03990	1.3
203.03584	0.6
207.04582	0.6
213.05670	1.1
215.03456	0.6
215.07243	0.7
223.04066	1.1
225.05611	15.6
235.04056	1.1
243.06754	0.6
249.05620	0.7
251.03583	4.2
252.04463	0.7
253.05090	12.5
263.07132	0.9
267.06714	1.2
269.04605	1.0
270.42361	0.6
273.05557	1.0
275.03629	1.1
277.05063	0.6
279.03040	3.4
287.07248	0.8
289.05084	0.8
290.05756	0.7
291.06708	2.9
303.03116	1.0
303.06607	0.6
315.06604	0.8
319.06168	0.8
331.06332	0.8
333.07922	1.2
349.07419	1.6
350.04428	4.7
359.05640	6.6
361.07281	0.6
363.05264	2.3
369.04144	1.0
376.06335	2.2
377.02203	1.0
377.06747	21.6
387.05011	5.0
405.06262	15.0
418.29550	0.6
477.10898	1.1
557.12866	2.5
585.12653	100.0
586.13196	1.2
603.13855	0.8
617.98370	0.6
749.19806	3.5
753.52441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	28.7
63.36381	2.2
66.41518	2.3
67.58679	2.1
71.01394	12.7
78.04057	2.6
78.17822	2.4
84.36701	2.2
89.02441	22.1
92.10825	2.9
93.98103	2.4
101.02453	11.4
110.44329	2.7
111.78419	2.1
113.02457	4.0
113.08251	2.5
119.03511	5.9
159.54028	2.3
163.92249	2.9
165.05629	2.6
176.47389	2.4
225.22263	6.0
280.17438	2.8
281.25125	3.3
289.42392	2.5
296.25653	2.7
493.86557	3.1
532.47607	14.9
550.48645	3.1
712.53833	100.0
748.51703	23.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.20975	0.3
58.90103	0.2
59.01384	6.2
64.30280	0.3
72.99297	2.2
84.99317	0.5
87.00330	0.4
87.00873	12.0
92.10143	0.4
103.00365	4.1
107.01391	0.4
112.98811	6.4
115.00371	1.2
118.67729	0.3
119.05024	72.4
120.05383	0.4
125.02421	0.4
130.99878	0.5
133.01433	2.8
135.04553	1.7
149.00929	35.9
151.00337	0.6
163.04027	100.0
164.04352	2.3
179.03525	1.3
285.04025	0.4
295.04617	23.1
685.40228	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.3947
Annotation	Unknow
Peak:m/z	Relative Intensity
79.56876	22.2
86.78712	23.4
100.82246	21.6
103.66308	24.2
114.40101	28.5
116.92878	42.7
135.10767	25.4
198.28973	24.5
253.05093	35.7
308.59271	24.7
449.05051	100.0
462.51331	24.9
487.08679	30.1
674.76465	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32795	7.5
52.62935	7.8
59.01386	19.7
61.87385	7.3
67.01096	7.9
67.89756	7.6
75.55831	8.1
89.02472	10.5
127.67986	7.7
187.58623	8.5
225.22183	9.8
451.16309	10.2
459.05331	10.6
545.68854	12.1
602.36359	10.9
710.52301	100.0
746.49805	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	747.4547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18628	0.5
55.01892	0.9
57.03459	1.3
59.01395	12.3
67.01918	0.7
70.05456	0.7
71.01389	15.7
72.99307	5.7
75.00880	19.2
82.89153	0.6
83.01402	0.8
84.02184	0.8
85.02959	20.7
87.00882	7.6
89.02448	4.8
90.09617	0.7
95.01376	6.0
99.00880	11.5
103.00383	2.9
111.00908	0.8
113.02457	17.5
115.00372	2.8
117.01942	3.7
121.98481	0.7
125.09760	1.0
129.01967	1.2
163.11308	2.8
165.12798	1.4
175.02481	1.1
203.44598	0.9
209.11868	37.7
209.98972	0.9
227.12848	2.9
249.06253	1.5
255.23317	100.0
256.23813	1.3
276.59229	0.8
322.56097	0.8
342.47781	0.7
352.81760	0.9
398.35776	0.8
505.30200	1.3
715.42883	60.4
716.43201	1.2
747.45471	52.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.142
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	15.6
59.01381	12.2
62.80655	0.7
69.03467	1.1
71.01408	1.0
71.84206	0.7
81.03486	3.2
83.01410	4.7
85.48250	0.8
89.02485	1.4
93.03470	3.4
95.01378	1.0
95.04989	1.1
97.02960	3.6
105.03481	0.8
107.05048	1.6
107.52840	0.8
109.02964	21.5
119.05010	1.9
121.02967	6.9
123.00883	1.8
123.04518	9.7
125.02447	100.0
126.79221	0.8
131.05058	1.4
133.02982	3.7
135.04536	5.5
137.02428	19.9
139.04024	1.9
143.37599	0.8
145.02974	5.2
146.03685	1.4
149.02455	12.1
149.06102	1.0
151.04010	12.5
159.04485	6.6
160.01663	1.2
161.02429	3.9
161.04913	0.8
161.06065	7.1
163.00343	6.6
163.04051	7.0
163.11269	6.8
164.01172	4.5
165.01929	4.0
167.03433	3.5
169.01468	15.0
173.06119	0.9
175.00366	1.6
175.04028	13.7
176.01134	1.5
177.01956	94.1
179.03506	4.1
185.06081	1.8
187.03986	7.0
188.04825	1.5
189.01974	1.2
191.03461	1.9
193.01477	3.2
199.03995	3.3
201.01982	1.2
201.05615	1.8
203.03467	1.8
203.07207	8.4
205.05112	5.6
209.06059	0.9
211.03975	1.8
213.05563	1.7
215.03510	1.3
217.05026	4.6
219.03085	1.5
221.08237	1.7
227.03549	4.8
227.07114	4.4
228.04236	1.6
229.05045	4.9
231.03000	1.7
237.05582	1.0
241.05064	1.3
243.02980	10.2
245.08258	14.5
249.09650	0.8
253.05025	5.0
255.02997	18.8
256.03809	6.6
257.04526	4.4
261.03967	1.4
269.04446	2.0
271.06036	6.9
273.04181	1.8
281.04575	3.2
283.02469	5.3
285.04117	5.9
288.02637	1.5
289.07220	42.3
297.03992	1.8
303.05264	8.7
315.05127	1.0
339.08957	1.6
356.23480	0.9
381.09738	1.4
387.16760	10.5
388.16989	5.4
389.06638	6.1
389.17303	3.5
407.07764	82.4
408.08554	1.5
423.07315	1.0
425.08820	1.6
431.73621	0.8
441.08322	7.1
449.08710	0.9
460.26761	0.9
467.10043	8.7
515.53784	0.9
559.09003	6.6
575.11761	1.5
577.09912	1.6
593.13031	8.2
665.66382	1.0
745.14008	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	745.1426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50196	0.5
57.03463	14.6
59.01397	0.9
69.03465	0.6
72.74580	0.6
81.03468	1.2
83.01379	4.2
85.02973	0.8
93.03455	3.8
95.01413	0.7
95.05029	2.6
97.02942	4.8
99.09656	0.6
105.03500	0.7
107.01357	0.9
107.05041	1.5
108.02189	0.7
109.02960	18.6
111.00985	0.6
112.33985	0.6
117.03468	0.8
121.02975	6.6
122.03783	0.8
122.31904	0.6
123.00851	1.5
123.04531	12.9
124.01688	0.9
125.02442	100.0
126.02767	0.9
133.02940	3.2
135.04494	5.7
136.05266	4.0
136.06212	0.6
137.02448	21.3
137.06073	0.7
138.03282	0.6
139.04001	3.1
145.02943	7.0
146.03766	0.9
147.00897	0.7
147.04523	1.2
149.02443	11.4
150.03143	0.7
151.04022	14.1
159.04521	7.1
161.02475	3.0
161.06046	5.0
162.03223	0.6
163.00366	3.5
163.04025	2.6
164.01151	3.8
165.01952	5.3
166.02687	0.9
167.03479	2.9
169.01434	15.1
173.06079	0.8
174.03264	0.7
175.00374	2.6
175.04030	11.2
175.07590	1.1
176.01205	0.9
177.01939	92.1
179.03514	4.2
180.04247	5.8
181.04997	1.3
183.04553	2.7
185.06071	3.9
187.04036	8.5
188.04799	1.5
189.01929	0.7
189.05525	1.0
191.03488	2.5
193.01398	2.3
199.03958	4.3
201.05548	3.8
203.03633	1.0
203.07178	7.3
205.01405	0.7
205.05145	5.8
209.06085	0.9
211.04047	3.3
212.04868	1.0
213.05507	2.2
214.02678	0.9
215.03505	1.5
217.05032	4.9
219.02991	1.4
221.08261	1.1
227.03506	4.1
227.07152	3.2
228.04221	1.1
229.05032	4.3
231.02956	0.8
237.05423	0.7
243.03023	11.6
245.08218	12.2
247.06238	0.9
253.05177	5.2
255.02995	20.8
256.03787	10.2
257.04544	3.9
259.05939	1.1
261.04077	3.1
269.04523	2.8
271.06177	10.4
273.04089	1.3
281.04556	4.1
283.02426	4.1
285.04041	6.5
288.03079	0.8
289.07199	45.1
297.04028	1.4
301.03497	1.3
303.05118	8.4
311.06082	0.6
315.05164	0.9
339.08719	3.1
343.10220	4.5
381.09930	1.0
389.06638	6.1
407.07767	74.6
408.07980	0.7
425.08914	2.5
441.08334	7.7
449.08817	2.8
467.09821	8.6
479.25775	0.8
559.09015	5.6
575.11768	1.3
577.10321	2.4
593.13098	7.5
619.10834	2.9
745.14008	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.142
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99558	0.9
54.30689	0.9
57.03460	12.6
58.86647	0.8
59.01394	4.5
71.01376	1.0
81.03461	1.4
83.01422	4.3
85.02980	1.0
89.02443	1.3
90.10828	0.9
93.03463	2.1
95.05042	1.1
96.95986	1.6
97.02957	5.5
101.02445	1.5
109.02957	19.5
121.02940	5.5
123.00907	1.3
123.04526	16.8
124.01651	1.2
125.02443	100.0
131.07156	2.1
133.02974	4.3
135.04530	5.1
137.02452	18.8
137.15085	1.0
139.03973	4.8
145.02963	1.7
146.03749	1.3
149.01305	1.1
149.02412	10.3
151.04037	14.0
159.02988	0.9
159.04449	1.4
161.02434	7.8
161.06062	5.3
163.00365	1.3
163.03979	8.5
163.10182	1.0
164.01166	4.5
165.01909	6.0
167.03471	6.8
169.01416	12.5
175.04005	13.5
177.01941	75.4
177.05391	3.0
179.03516	6.2
184.31248	1.1
185.06134	1.4
187.04050	9.1
188.04778	2.3
189.01862	1.5
193.05055	1.7
194.35919	1.0
199.04033	2.1
201.01955	1.7
201.05606	2.4
203.03481	3.9
203.07234	7.0
205.05121	7.7
211.03964	1.8
213.05621	1.5
215.03583	1.4
217.04985	3.6
221.08189	1.0
226.10341	1.0
227.03484	1.7
227.07210	1.6
228.04404	1.0
229.05032	5.5
231.03021	1.9
231.06532	1.5
241.05110	4.4
241.17810	1.0
243.02922	1.7
245.08156	11.9
247.06071	1.4
253.05092	1.5
255.03035	7.3
256.03757	4.9
261.03958	2.1
269.04553	1.5
273.04156	3.7
281.04517	4.0
285.04083	17.3
287.05606	1.3
289.07181	25.5
293.12439	4.1
297.04166	1.6
299.05597	1.5
303.05078	8.0
319.04672	5.1
339.08530	2.1
407.07791	29.8
419.07382	1.1
423.07098	3.7
425.08856	20.8
431.07422	1.0
437.09045	7.8
449.08807	8.8
449.14029	1.0
457.70428	1.0
467.09695	5.7
487.76385	1.1
509.12360	1.1
546.79565	1.0
575.12012	7.8
593.13196	20.0
771.03033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	11.0
59.01391	4.0
60.67055	0.8
65.00349	0.7
69.03455	1.4
81.03451	1.2
83.01424	4.7
88.44703	0.8
89.02448	1.0
92.10071	1.7
93.03469	1.4
95.01415	1.1
95.05029	1.8
97.02950	3.3
109.02972	18.0
119.05046	1.3
121.02975	7.6
123.00899	2.1
123.04528	15.8
125.02457	100.0
133.02969	2.2
135.04561	3.6
137.02461	20.6
139.04039	4.3
145.02913	1.4
146.03737	1.1
149.02434	14.1
150.03203	1.1
151.04019	14.0
153.01962	1.4
157.06602	1.3
159.04520	1.8
161.02461	6.8
161.06114	3.6
162.03265	0.9
163.00426	1.0
163.04018	8.2
164.01138	2.3
165.01932	4.0
166.02699	1.0
167.03494	6.2
169.01476	14.3
175.04008	14.5
177.01952	64.7
179.03450	3.7
185.06105	1.2
187.04068	10.7
188.04750	1.6
189.05574	1.2
191.03319	1.3
199.03986	4.7
201.05655	1.4
203.03569	1.5
203.07227	7.8
205.05093	8.8
211.04062	2.0
213.05640	3.9
217.05078	4.6
221.08112	1.3
227.03481	3.2
228.04384	1.0
229.04988	3.9
231.02988	4.2
231.06683	1.6
241.05066	1.7
241.55534	1.0
243.03075	3.4
243.06628	1.6
245.08176	9.6
253.05231	1.2
255.02960	9.4
256.03824	4.4
257.04593	1.9
261.04126	1.6
269.04565	2.0
271.05960	1.2
273.04080	4.3
281.04538	4.5
285.04077	16.6
287.05621	1.1
287.18402	1.2
289.07260	30.3
297.04074	5.3
297.07373	1.1
303.05154	8.2
319.04706	3.8
367.50568	1.1
407.02621	1.6
407.07776	29.5
423.07013	2.3
425.08963	18.3
437.08838	5.7
441.08554	1.7
449.08768	9.0
467.10065	3.9
480.98938	0.9
531.13275	1.1
551.04669	1.1
557.10907	1.1
575.11603	6.7
593.13141	19.9
745.14807	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.3278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55230	2.0
54.78323	1.9
57.03478	3.1
59.01387	4.4
60.77148	2.0
61.35941	2.3
67.26219	1.9
70.72077	2.0
71.01402	9.0
85.29880	2.1
89.02482	2.0
96.95969	2.3
101.02422	2.2
110.37653	2.2
113.99732	2.2
125.02452	8.5
161.04594	2.7
163.11304	4.9
171.10287	46.9
207.10307	3.2
209.11850	100.0
209.13739	4.7
225.11317	28.0
227.12930	15.2
235.08231	3.8
253.09290	9.6
445.20892	3.7
445.65906	2.4
461.20340	2.6
537.51648	2.6
653.31860	2.9
725.31647	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	745.127
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.8
57.38756	0.6
59.01402	4.1
63.02405	3.0
65.00335	8.6
67.80741	0.6
72.99327	3.5
83.01389	5.8
87.00874	9.1
93.03543	0.9
103.00398	1.6
107.01392	13.6
112.98834	0.9
125.02443	15.3
126.90100	0.6
134.03751	1.6
135.04526	32.5
149.00926	30.3
151.00377	28.7
151.01552	1.4
157.06622	0.7
165.01982	1.2
169.01404	2.9
169.06537	0.7
176.75858	0.7
177.01973	1.6
178.99905	14.4
179.03497	29.2
179.04855	1.2
182.79942	0.6
183.04472	1.3
197.06071	4.5
199.04042	1.6
203.03580	0.8
207.04550	2.5
209.06059	0.9
211.03995	1.5
213.05577	1.4
215.07155	0.9
223.04094	1.0
224.04813	1.1
225.05592	20.8
227.03548	3.0
235.04053	8.4
236.04892	1.0
241.05087	1.3
249.05544	1.3
251.03476	11.7
252.04259	1.6
253.05087	38.6
263.07053	1.2
265.05118	1.0
267.02902	1.4
269.04559	1.5
273.05643	1.5
275.03687	1.2
275.06952	0.8
277.05084	2.8
279.03043	9.9
287.06650	0.7
289.05042	0.8
291.06451	1.1
301.05234	1.3
303.02975	3.9
311.04507	0.8
312.02823	1.4
313.03467	0.9
315.06580	1.3
317.04681	1.5
331.06143	2.7
341.04230	1.1
345.04047	1.0
359.05679	7.5
369.04242	4.9
375.05154	1.2
377.06720	11.4
385.03549	1.0
387.05176	15.1
403.04788	5.2
405.06314	11.4
421.05667	4.7
431.04279	3.1
449.05215	100.0
467.06445	1.2
487.09116	0.8
613.12189	13.1
758.70569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.57106	0.2
55.01868	0.4
57.03456	0.7
58.00608	0.2
59.01385	67.7
63.43594	0.3
65.55974	0.3
71.01382	12.5
72.99299	0.7
73.02953	0.4
76.12939	0.3
80.98342	0.3
83.01404	0.7
85.02936	4.1
86.45005	0.3
87.00873	0.5
88.18625	0.2
89.02446	13.0
91.97401	0.3
92.10027	0.6
93.49426	0.3
95.01412	1.5
95.05031	0.5
96.95999	0.3
99.10445	0.3
101.02445	9.9
103.74171	0.3
113.02464	5.2
113.03174	0.5
118.24675	0.3
119.03496	4.2
119.10740	0.3
125.02443	1.8
131.03465	0.3
134.03738	0.3
135.04550	0.6
147.08084	0.4
160.01706	3.7
163.04083	0.3
163.11299	47.4
175.04012	5.0
177.01910	0.6
179.03520	0.5
179.05350	0.3
191.03624	0.4
193.05074	0.7
207.10356	0.5
209.11842	0.4
217.04945	0.5
236.24876	0.3
271.66910	0.3
355.10577	1.3
378.50488	0.3
387.16681	100.0
388.16956	1.3
504.42630	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.328
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.8
59.01386	15.5
67.99844	1.6
71.01392	14.9
78.00327	1.7
81.03487	2.2
83.05034	3.6
85.02981	2.6
87.00908	2.4
89.02466	2.8
89.86983	2.1
95.05006	1.9
97.02953	2.7
101.02450	4.4
108.02058	1.9
108.57634	1.9
109.06588	12.8
114.40272	2.3
117.22456	1.7
125.02447	3.0
125.09733	3.4
127.11292	4.2
135.08176	3.1
161.02390	2.2
161.04570	2.3
163.11359	13.8
169.01431	3.1
171.10213	16.5
178.99971	2.1
181.12411	3.5
189.09352	2.4
199.09805	12.1
199.13521	2.7
201.11363	38.1
207.10310	40.5
209.11856	100.0
225.11366	40.5
227.12950	15.1
243.12486	2.7
253.09331	18.8
433.37592	2.2
461.20258	9.6
609.29230	2.7
627.29932	2.0
645.31329	4.1
653.30621	4.1
671.33008	2.6
726.11755	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	743.1474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.64655	0.3
54.80460	0.3
54.82780	0.3
58.74025	0.3
59.01384	3.0
62.77980	0.3
67.90452	0.3
72.99300	3.6
76.71556	0.3
79.85971	0.4
87.00880	13.5
91.05507	0.4
92.65617	0.5
103.00383	2.9
105.01941	0.7
107.05035	1.8
112.98820	0.8
114.38696	0.4
117.03526	0.4
124.26779	0.3
124.27831	0.3
133.03046	0.7
134.03757	6.6
135.04529	100.0
140.38441	0.3
149.00926	71.3
179.03510	93.6
180.03714	0.5
227.03549	0.5
230.86423	0.4
255.02986	0.9
260.10980	0.4
284.03229	1.8
285.04022	0.8
311.04147	7.7
327.23969	0.4
337.09210	0.4
356.99570	0.4
431.09860	0.7
465.04623	0.9
566.31116	0.4
648.91962	0.5
756.79590	0.4
759.90143	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	743.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	6.9
59.76687	0.5
65.04417	0.5
66.19639	0.6
72.99329	1.0
76.58499	0.7
81.97528	0.6
87.00870	9.7
103.00397	3.4
112.98811	5.1
118.66523	0.7
119.05027	69.5
122.77497	0.7
130.99841	0.8
133.01263	0.9
136.94991	0.7
149.00928	30.7
163.04027	100.0
164.04195	0.7
166.51556	0.8
168.81845	0.7
172.37579	0.6
197.01785	0.7
204.18819	0.6
205.12361	0.7
208.27847	0.8
218.32777	0.7
235.79910	0.6
241.36551	0.7
271.02542	1.0
295.04623	22.7
295.07904	1.1
300.02750	3.0
301.03479	1.1
401.02634	0.7
409.44086	0.8
447.09158	1.5
529.66455	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	17.4
60.51094	2.7
61.98830	5.1
71.01386	71.5
77.97272	3.1
78.95910	34.4
78.96308	3.5
81.28193	3.4
83.05056	5.3
99.54447	2.8
109.06611	7.0
113.02489	3.3
118.02215	3.9
118.28943	3.0
152.99600	24.8
163.11252	5.7
171.10313	6.1
187.64346	3.6
203.43492	3.0
207.10321	39.7
209.12048	5.0
217.04742	3.0
222.55707	3.0
225.11299	20.8
236.54601	4.0
274.50473	3.4
277.21774	100.0
545.02289	4.0
706.11792	4.0
721.41101	6.8
739.42627	5.3
765.03119	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	741.4082
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	2.3
57.88594	2.2
59.01413	13.6
71.01415	5.7
72.82245	2.8
83.05057	4.6
89.02483	5.4
92.10057	6.5
96.58588	2.5
97.06618	5.8
101.02471	5.3
121.61168	2.7
128.90765	3.2
151.11310	20.1
163.11366	3.5
163.50743	2.5
169.12357	100.0
209.11916	4.8
213.11397	12.1
216.10181	2.9
277.00375	2.7
291.19766	38.4
309.20816	22.9
436.18671	3.2
449.20178	3.3
741.40967	84.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67757	0.6
52.35031	0.6
55.01885	3.1
57.03471	1.0
58.00645	1.0
59.01386	45.2
60.74210	0.7
71.01383	27.8
72.99323	1.1
73.02955	6.3
78.95924	0.9
81.03475	0.9
83.01435	4.3
83.03603	0.9
85.02956	9.4
85.10468	0.8
87.00883	6.0
89.01591	0.9
89.02444	27.9
91.03989	0.9
95.01402	3.4
97.02969	4.7
101.02447	22.5
101.03090	1.1
113.02473	11.0
119.03519	7.4
125.02435	7.6
134.71086	0.8
143.03549	3.3
157.34843	0.8
161.04597	4.1
168.53770	0.9
179.05574	1.4
209.11917	6.0
216.74680	0.9
221.06668	1.1
235.08276	8.3
252.08409	1.0
253.09303	1.2
255.23311	4.3
256.23688	1.7
283.26483	100.0
284.27014	1.1
287.07715	1.0
305.08685	1.0
377.33337	0.8
397.13583	79.8
415.14709	18.4
657.28693	0.9
681.41034	3.7
691.43909	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82364	0.3
59.01383	6.9
60.07972	0.4
61.98858	0.6
62.86676	0.4
67.91143	0.3
71.01384	3.8
71.05010	0.4
73.02975	0.8
76.21127	0.4
80.02705	1.0
81.03471	0.5
83.05041	6.0
84.02184	0.9
85.02995	1.7
89.02459	4.3
93.03473	0.5
96.96035	0.5
97.72870	0.4
101.02466	4.4
111.08180	0.8
113.02499	3.0
119.03560	0.6
121.89531	0.5
125.06093	0.7
126.48760	0.5
130.15578	0.5
137.18016	0.6
137.24185	0.4
152.04338	0.4
161.04572	1.0
163.11281	4.4
165.12857	2.8
171.10341	1.0
179.05574	0.6
179.14395	0.7
181.12433	0.9
191.10870	0.8
195.13937	12.3
205.12300	0.9
209.11865	99.2
210.12242	0.8
211.13503	0.8
223.13431	5.8
227.12949	10.8
228.13708	0.7
235.08282	1.5
249.22121	0.6
253.09322	15.1
256.13174	2.2
265.21844	0.5
275.20184	10.5
291.19580	0.6
293.21265	100.0
294.21555	0.7
383.74860	0.5
429.55701	0.5
445.20761	0.5
485.33075	0.5
503.33514	0.6
668.26648	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4288
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34980	2.2
59.01399	12.6
61.98829	4.9
63.65746	3.2
66.26090	2.5
89.02453	5.0
101.02469	6.1
125.02452	4.5
128.84787	3.4
164.83929	3.4
165.12868	14.0
175.16969	3.1
183.13928	100.0
195.13922	15.9
195.61937	2.8
197.12010	4.2
209.11873	45.4
211.13445	12.7
223.13463	5.4
227.12869	4.7
253.09216	7.3
275.20123	15.1
291.19885	3.4
293.21252	74.6
294.85397	3.4
341.98038	3.2
416.03992	4.0
449.51834	4.1
599.35028	3.1
739.42755	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.3326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83049	2.2
56.45230	2.4
57.53679	2.0
58.94357	2.2
59.01408	3.6
61.98834	100.0
71.01392	4.9
72.11922	2.5
72.56765	2.4
73.04390	2.6
80.25156	2.4
100.96868	2.3
102.56614	2.3
109.06603	3.1
112.77755	2.8
163.11313	2.8
171.09912	2.8
207.10310	17.0
209.11899	30.6
225.11368	15.4
227.12823	4.5
239.36508	2.6
253.09145	3.6
276.18192	2.7
400.34363	3.0
621.20306	3.0
635.31305	13.9
653.31824	13.4
671.32855	19.6
686.47260	2.8
739.32660	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	739.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86235	1.8
53.94452	2.0
54.48781	2.2
55.01895	2.0
59.01390	19.6
59.70776	2.0
61.98855	4.1
62.24416	2.2
65.38541	2.1
68.44147	2.2
71.01385	100.0
75.44161	2.3
78.95948	3.0
80.42649	2.2
85.02962	3.2
89.02463	3.0
92.02731	2.2
97.02990	4.7
101.02460	6.0
109.06592	27.4
116.20876	2.3
116.92944	2.6
125.26133	2.3
142.02669	2.9
158.34451	2.7
163.11264	20.5
170.16565	2.5
171.10313	23.3
181.12430	4.1
201.11406	9.9
207.10316	79.0
225.11349	45.5
253.09303	4.6
277.21786	81.3
349.75519	2.8
368.22205	2.3
461.20303	14.3
610.98364	3.3
721.41736	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	739.4287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	0.3
59.01381	4.0
61.98837	1.2
63.04441	0.2
64.35029	0.2
69.03491	0.3
71.01390	3.0
73.02971	0.5
80.02689	1.4
81.03475	0.6
83.01398	0.4
83.05032	5.4
84.02181	1.1
85.02972	0.6
87.00896	0.3
89.02445	2.2
95.05027	1.0
101.02452	3.0
111.08130	0.3
113.02477	1.0
119.03543	0.6
125.02397	0.4
125.06104	0.4
127.11307	0.3
129.03813	0.2
131.96306	0.2
135.08159	0.9
155.89568	0.3
161.04564	1.1
161.32458	0.2
163.11311	4.3
165.12805	3.3
171.10342	0.3
180.17236	0.3
181.12408	0.4
183.13808	0.4
191.10796	1.2
195.13924	3.8
209.11862	100.0
210.12231	0.5
211.13400	1.0
223.13409	3.0
227.12923	7.4
235.08241	1.7
253.09296	7.5
256.13147	0.3
265.21686	0.3
275.20297	2.4
291.19443	0.3
293.21283	33.0
445.20517	0.9
479.84177	0.3
490.00409	0.3
538.53906	0.3
597.33661	0.3
736.27063	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42428	0.3
57.33833	0.3
61.98834	100.0
64.75087	0.4
66.00842	0.3
71.01385	1.8
77.65027	0.4
94.86874	0.4
96.10700	0.4
107.34989	0.4
124.06454	0.5
125.02460	0.7
139.59891	0.4
147.12892	0.4
187.18750	0.4
197.11855	0.9
198.12105	0.5
209.11852	2.3
210.12178	1.8
211.13472	0.5
226.11728	0.5
255.94975	0.4
318.67712	0.4
441.45050	0.4
475.37643	0.4
481.93237	0.4
516.54858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03019	1.6
58.83977	1.9
59.01389	3.3
60.99229	2.0
69.55444	1.8
71.01388	4.2
71.80957	2.0
73.63040	1.8
78.70831	1.9
92.27160	1.9
93.03471	7.9
99.53908	2.1
109.02958	20.8
122.93724	2.1
123.00881	2.1
123.04529	11.4
123.17025	2.4
125.02441	60.2
133.02963	3.3
135.04489	2.9
145.02968	20.4
147.04544	2.8
149.02531	2.5
151.04010	11.7
169.01440	85.0
177.01953	53.3
187.03987	4.6
189.01976	47.7
190.02657	14.0
191.03479	10.6
193.01419	3.1
201.02042	3.2
203.03520	4.3
209.11797	3.5
216.00726	5.0
217.01425	36.9
219.03035	13.8
228.12712	2.3
229.05006	3.2
231.02910	10.6
255.03401	2.3
271.06085	13.1
283.06030	3.7
285.04141	4.2
289.07291	4.4
297.04242	2.4
311.05582	11.6
323.05655	22.3
325.03540	3.0
330.63144	2.5
341.06720	100.0
341.23108	3.8
417.09732	4.4
435.10925	39.3
464.64185	2.5
579.15308	3.7
587.12122	68.7
615.39819	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	737.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41214	3.7
61.20642	4.0
61.98859	4.4
78.02547	4.1
103.12104	4.0
133.10876	4.5
183.57275	4.4
199.78656	4.5
209.11923	45.3
218.06456	5.9
255.23370	100.0
273.85605	4.5
406.80142	5.5
518.99127	6.3
737.42596	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.5195
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02991	0.4
59.01390	17.9
61.06600	0.2
61.87913	0.2
69.63601	0.2
69.70049	0.2
80.05064	0.2
81.03465	8.5
81.03931	0.4
83.05035	29.3
100.07671	0.4
107.06181	0.4
108.04554	1.0
125.02496	0.3
125.07183	1.9
126.05619	0.5
137.02464	0.2
143.08266	1.0
169.01414	0.2
184.73866	0.2
199.18140	0.3
207.14990	2.1
222.16229	0.3
224.17691	4.1
225.16112	20.0
226.16368	0.3
242.18805	1.1
285.12762	0.3
309.21796	1.2
324.26593	0.5
333.23029	1.4
341.29248	1.5
367.27130	1.7
393.25006	0.2
433.31760	1.9
450.34518	2.3
451.32950	10.5
550.43365	2.1
559.39600	0.4
565.44580	0.3
593.44116	1.2
659.48743	3.0
677.49805	100.0
678.50006	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	738.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26011	0.7
52.69943	0.6
59.92147	0.7
61.98834	100.0
77.36210	0.8
84.01366	0.9
91.59196	0.7
149.78659	0.8
170.02090	0.8
182.46481	0.8
198.12178	1.2
201.23677	1.0
210.12392	1.1
271.23199	0.8
317.91330	0.9
435.29651	0.9
549.69641	0.9
605.27631	0.9
625.02789	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70065	0.5
54.83316	0.6
56.79083	0.5
58.62304	0.4
59.01387	4.4
61.98832	100.0
71.01379	2.4
71.04969	0.5
73.36080	0.5
75.54468	0.6
85.02952	0.6
85.11050	0.6
89.02471	1.3
90.02799	0.6
101.02419	1.4
123.95959	0.6
129.32797	0.6
209.11784	0.9
250.13506	0.7
257.40091	0.9
277.21762	2.2
278.22122	3.7
279.22400	1.2
291.19687	0.9
293.21155	0.8
398.13846	1.2
399.13989	1.0
400.14258	0.9
417.15421	0.9
450.10129	0.6
562.02240	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3972
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.9
57.03474	0.7
58.00599	1.1
59.01384	46.6
61.98830	6.3
69.03466	3.1
71.01378	34.8
72.99329	1.1
73.02950	6.3
75.00880	0.8
81.03452	1.1
83.01393	3.7
85.02960	8.4
87.00874	6.4
89.02441	30.5
95.01378	1.1
97.02942	4.9
99.00900	1.1
101.02438	25.4
113.02468	13.1
115.04066	0.8
119.03488	5.9
125.02458	9.0
133.11279	0.7
143.03517	1.8
158.91014	0.9
161.04562	4.4
179.05603	3.9
221.06731	1.7
235.08249	8.5
253.09418	1.6
279.23315	100.0
280.23541	1.3
287.07803	1.5
305.08810	3.2
324.73465	0.8
385.63278	0.8
397.13559	83.3
415.14664	25.1
666.74573	0.8
677.38385	2.4
697.41473	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.73553	0.7
55.80021	0.7
57.03461	1.0
58.53687	0.8
59.01391	4.7
61.98848	3.9
63.04974	0.8
65.32565	0.6
67.23624	0.7
71.01405	5.3
73.02960	0.9
80.02696	1.1
81.03486	1.4
83.05040	6.5
89.02463	3.1
94.90884	0.9
97.02955	1.2
101.02468	1.4
109.06599	5.6
111.08172	6.8
113.02525	1.0
125.47031	0.9
161.09572	0.7
163.11290	7.2
165.12823	1.5
167.10796	1.3
177.12848	1.6
191.10815	1.1
195.13924	4.1
207.10294	12.6
209.11864	100.0
225.11331	3.6
227.12863	10.8
235.31514	0.8
244.77829	0.9
247.20908	0.8
253.09286	7.4
291.19702	44.8
293.21365	6.0
368.96024	0.9
388.32700	1.0
737.41113	3.3
759.01392	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47407	0.8
55.06393	0.9
57.03455	1.5
58.66080	1.0
59.01373	9.0
61.98825	8.2
64.34706	1.0
71.01365	7.4
71.10567	1.0
73.96941	0.9
76.24301	0.9
81.03484	1.8
81.52188	1.0
83.05032	5.3
84.02211	1.0
85.02943	1.0
87.00876	1.2
89.02448	4.9
95.05013	1.7
101.02442	6.5
109.06582	6.8
111.08162	12.4
112.19756	1.0
135.08180	1.2
163.11263	7.1
171.10349	1.1
177.12846	1.6
181.12314	1.4
189.09047	1.0
195.13896	12.5
207.10265	19.9
209.11855	64.2
225.11337	7.2
227.12883	6.0
235.08220	1.3
247.20647	2.3
253.09259	11.7
273.18671	1.6
275.20273	1.5
291.19684	100.0
293.21249	23.2
527.28986	7.8
555.85236	1.1
605.32153	1.1
737.41132	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	737.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98831	24.0
62.91248	2.5
71.01385	35.9
80.82527	2.2
83.01421	2.8
85.02970	9.6
87.00888	4.0
89.02444	35.1
92.10127	9.9
97.02966	4.9
98.64316	2.3
101.02440	27.2
113.02473	12.5
119.03503	2.7
125.02435	4.7
126.31161	2.2
141.01718	49.5
161.04562	6.1
225.11270	3.8
235.08405	3.9
279.23309	95.3
397.13605	77.8
415.14529	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	737.3981
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83130	0.5
59.01387	2.8
60.34473	0.3
61.98839	6.9
62.93169	0.3
67.69537	0.3
71.01398	2.0
71.31668	0.3
73.40239	0.4
75.94032	0.4
80.02684	0.8
81.03472	0.5
83.01397	0.4
83.05023	4.8
84.02195	0.5
85.02962	0.5
87.00895	0.4
89.02463	1.9
95.05033	0.5
101.02447	1.7
113.02463	1.4
125.02439	0.5
135.08182	0.6
146.52176	0.3
146.55611	0.4
161.35402	0.4
163.11296	4.3
165.12874	3.2
171.10265	0.8
191.10799	1.5
197.11884	0.4
205.57799	0.4
209.11877	100.0
210.12271	0.4
227.12920	11.3
235.08281	0.7
253.09354	4.2
259.15524	0.4
445.20627	2.8
554.35175	0.4
766.31769	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38403	1.0
51.99897	0.9
53.07018	1.0
54.82829	1.3
55.01898	1.4
58.00610	1.5
59.01380	15.5
59.01622	1.1
61.98834	32.6
61.99119	1.9
63.99280	1.2
70.39310	1.0
71.01381	100.0
73.02969	2.7
74.58739	1.1
79.73755	1.2
81.03465	2.7
83.05050	6.0
85.02939	2.2
87.00876	2.7
89.02446	4.8
95.01392	1.2
97.02975	7.9
99.00896	2.6
101.02464	7.5
109.02957	1.2
109.06591	22.3
110.03716	1.7
111.04517	2.3
113.02416	1.4
121.06585	1.4
123.04567	1.8
125.08878	1.4
125.09752	6.3
129.22200	1.1
135.08179	4.5
136.05310	1.7
136.06378	1.2
142.02711	2.4
155.10748	1.6
161.09712	2.8
163.11281	12.8
165.12964	1.6
169.12434	1.3
171.10286	18.7
181.12390	4.9
185.11856	2.6
197.11829	6.2
199.09795	2.1
199.13393	2.1
201.11418	8.1
205.08739	6.1
207.10298	39.3
209.11865	37.2
210.12236	1.8
223.09756	7.6
225.11363	22.8
225.54129	1.3
227.12860	4.1
243.12361	2.8
253.09395	5.2
255.02979	2.7
283.02478	4.7
398.35928	1.3
443.18991	1.2
461.20422	4.4
490.49963	1.1
717.45410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.361
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38403	1.0
51.99897	0.9
53.07018	1.0
54.82829	1.3
55.01898	1.4
58.00610	1.5
59.01380	15.5
59.01622	1.1
61.98834	32.6
61.99119	1.9
63.99280	1.2
70.39310	1.0
71.01381	100.0
73.02969	2.7
74.58739	1.1
79.73755	1.2
81.03465	2.7
83.05050	6.0
85.02939	2.2
87.00876	2.7
89.02446	4.8
95.01392	1.2
97.02975	7.9
99.00896	2.6
101.02464	7.5
109.02957	1.2
109.06591	22.3
110.03716	1.7
111.04517	2.3
113.02416	1.4
121.06585	1.4
123.04567	1.8
125.08878	1.4
125.09752	6.3
129.22200	1.1
135.08179	4.5
136.05310	1.7
136.06378	1.2
142.02711	2.4
155.10748	1.6
161.09712	2.8
163.11281	12.8
165.12964	1.6
169.12434	1.3
171.10286	18.7
181.12390	4.9
185.11856	2.6
197.11829	6.2
199.09795	2.1
199.13393	2.1
201.11418	8.1
205.08739	6.1
207.10298	39.3
209.11865	37.2
210.12236	1.8
223.09756	7.6
225.11363	22.8
225.54129	1.3
227.12860	4.1
243.12361	2.8
253.09395	5.2
255.02979	2.7
283.02478	4.7
398.35928	1.3
443.18991	1.2
461.20422	4.4
490.49963	1.1
717.45410	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80587	2.8
54.83353	3.2
56.97961	2.7
58.38957	2.6
59.01395	23.8
59.20302	3.3
61.98839	50.1
62.41274	2.8
71.01392	100.0
72.99328	3.8
73.84121	3.0
80.96526	4.0
83.05052	6.9
85.02960	3.6
87.00951	3.1
89.02466	3.1
97.02993	7.3
97.06627	3.5
101.02468	7.8
109.06600	27.1
109.68757	3.5
110.03714	3.7
113.02451	4.2
114.40559	3.1
125.02435	3.4
125.09737	6.4
134.03700	3.4
134.37019	3.0
135.08134	4.0
163.11310	16.6
163.12561	3.0
170.39798	3.3
171.10300	25.8
179.10876	3.6
181.12396	7.2
183.13887	3.8
205.08688	3.7
207.10306	54.1
209.11874	52.0
211.13464	6.7
223.09779	7.6
225.11339	20.8
237.14932	6.6
253.09225	5.6
315.46036	3.3
362.93881	3.9
381.60849	3.6
737.33972	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	736.3411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71030	0.3
60.94519	0.3
61.98835	100.0
71.87465	0.3
143.00581	0.3
161.70824	0.4
197.11789	0.5
209.11830	2.4
210.12140	0.8
308.69141	0.4
482.97000	0.4
488.20383	0.4
574.73309	0.5
575.36938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.341
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09794	0.2
61.98833	100.0
64.34875	0.2
71.01402	0.2
73.73512	0.2
74.82610	0.2
79.30655	0.2
88.08584	0.2
92.09010	0.2
92.66366	0.2
125.02429	0.3
167.18857	0.2
207.10213	0.3
211.13321	1.0
225.11362	0.3
345.36121	0.3
353.07745	0.3
480.07190	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98974	0.2
52.91210	0.2
54.20042	0.2
59.37539	0.2
61.98832	100.0
62.56450	0.2
71.01376	0.3
98.26231	0.3
100.75821	0.2
106.88001	0.2
152.75523	0.2
155.85847	0.3
278.70676	0.2
509.96420	0.3
674.55804	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.2881
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.3
60.26170	0.2
67.13277	0.2
71.01373	0.4
74.15449	0.2
85.02972	0.4
93.03457	0.2
106.04292	0.2
110.01832	0.2
111.00893	0.3
121.02946	1.6
125.02460	1.0
129.79773	0.2
133.02972	1.4
134.03743	60.8
135.04152	0.3
137.02444	8.7
139.04018	3.9
147.02971	0.3
149.00876	0.2
149.02393	0.3
149.06087	20.8
150.03209	0.9
159.04501	0.2
177.01968	0.2
178.02724	41.0
179.03201	0.3
191.03455	0.3
193.05074	100.0
194.05412	1.2
219.03096	0.3
219.80533	0.2
304.92883	0.2
355.10416	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	735.3822
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.5
57.03447	0.6
59.01382	8.4
61.98832	6.8
69.03461	1.0
71.01368	4.1
80.74886	0.5
81.03471	0.5
83.05019	6.0
83.05464	0.6
84.02186	1.2
87.00886	0.7
89.02460	3.6
92.10030	1.2
95.01395	0.6
97.02981	0.7
97.05735	0.5
101.02462	3.6
113.02463	1.3
125.02456	0.7
135.08170	0.6
151.22343	0.6
161.04646	1.1
163.11293	4.2
165.12848	2.4
169.12338	8.2
171.10281	0.7
181.12265	0.9
191.10782	0.9
192.00391	0.5
195.44800	0.5
197.11859	100.0
198.12093	0.6
207.10185	0.6
209.11870	96.8
210.11984	0.6
211.13419	5.3
227.12924	13.5
235.08221	2.1
253.09337	8.7
273.17130	1.3
433.20859	6.5
445.20773	3.5
456.92636	0.6
458.77441	0.6
607.30811	0.8
625.32794	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	735.4105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46960	43.3
58.23291	43.0
59.43315	41.6
67.65630	46.9
78.12245	45.1
80.23393	43.4
89.31385	46.6
93.99094	52.1
105.95152	46.0
160.40753	50.2
169.02605	49.9
218.90620	53.4
255.23340	100.0
476.45840	63.1
505.78970	61.1
619.09247	69.5
637.10718	62.8
648.20355	54.0
699.43134	85.8
746.06891	56.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.411
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98851	72.0
78.95941	20.1
92.10718	31.9
104.70849	17.6
151.32045	15.4
209.11841	71.7
253.21814	100.0
255.23215	18.6
622.82013	18.3
735.41516	36.7
761.45612	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.4331
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01406	9.9
59.99926	2.3
60.08579	2.1
61.98855	16.3
64.34411	2.5
72.88820	2.2
73.57444	2.3
75.56949	2.2
89.02448	3.5
92.10114	5.6
94.05022	2.4
167.10808	4.9
184.89651	2.5
194.42798	2.5
195.13896	23.9
205.12361	9.0
217.26253	2.7
223.13435	100.0
253.09337	11.1
266.74258	2.7
275.20053	3.3
293.21280	79.6
428.45477	2.6
459.22501	15.8
738.15295	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	735.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.7
58.00580	0.7
59.01385	10.3
61.98849	3.0
67.00006	0.6
69.03477	3.8
71.01377	9.6
73.02939	1.1
80.02689	1.5
81.03474	2.9
81.12613	0.7
83.01404	3.1
83.05030	6.8
84.02190	3.0
85.02966	1.5
89.02439	4.8
95.05064	1.4
97.02946	7.0
97.06598	1.3
101.02462	4.1
109.06586	3.2
110.03757	1.5
113.02470	3.2
123.08162	1.5
125.06119	0.7
125.09758	4.2
126.51385	0.7
127.11324	1.4
130.00078	0.6
134.03818	0.7
135.08203	1.5
136.05228	0.9
142.02725	1.1
145.05098	0.8
147.11816	1.0
153.12857	0.8
161.04590	1.4
161.09796	1.3
163.11307	14.7
165.12868	3.8
169.12338	3.9
171.10269	15.5
173.09694	0.6
179.10812	7.1
181.12366	1.1
182.13107	0.7
185.11821	0.8
189.09320	0.7
191.10802	2.4
195.13954	0.7
197.11868	36.6
199.13399	0.8
201.11398	5.9
207.08354	1.2
207.10309	37.9
209.11876	100.0
210.12367	0.9
211.13434	4.0
221.11963	0.9
225.11374	11.5
227.12935	8.6
235.08279	4.3
239.12918	27.3
241.14488	0.9
253.09320	11.1
271.15543	2.7
273.17123	51.8
284.59174	0.6
373.76581	0.6
433.20175	1.2
445.20840	1.5
461.20261	1.1
717.36609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	734.3254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	0.3
61.98841	100.0
85.05550	0.1
109.06592	0.2
155.63669	0.2
163.11212	0.2
207.10272	0.8
208.10553	0.7
209.11967	1.4
210.12193	0.9
225.11414	0.2
226.11784	0.3
278.13486	0.2
319.12585	0.2
355.28528	0.2
638.31805	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	735.3823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.7
57.03466	2.1
58.00607	0.8
59.01388	62.3
61.98841	0.9
69.03468	2.2
71.01385	37.6
72.99327	2.0
73.02943	6.7
75.00898	0.4
76.58408	0.4
81.03465	1.8
83.01398	5.2
85.02947	9.7
85.84646	0.5
87.00877	7.5
89.02444	36.6
89.63394	0.4
91.04009	0.6
95.01384	2.7
96.03065	0.4
97.02963	7.5
99.00884	3.4
101.02438	28.7
111.00873	0.6
111.04530	1.6
113.02454	15.2
115.04019	0.8
119.03495	8.0
121.02952	0.8
121.69717	0.4
125.02441	11.2
127.04052	0.5
131.03479	1.6
133.05072	1.7
138.72850	0.4
139.04037	1.5
143.03542	3.5
161.04562	5.7
169.05101	0.5
179.05615	3.8
199.06100	0.5
212.30896	0.4
221.06688	2.5
222.00389	0.4
235.08237	10.5
253.09259	2.0
263.07721	0.6
275.20157	0.4
277.21753	100.0
278.22107	1.6
287.07733	2.5
305.08838	4.1
323.09842	0.6
361.11786	0.4
396.52618	0.4
397.13562	93.8
398.14130	0.9
415.14624	29.0
419.18842	0.4
675.35687	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	733.4391
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.6
59.01390	15.4
62.27886	1.0
68.35310	1.0
71.01389	13.5
72.99317	1.9
75.00864	17.5
83.01393	1.2
85.02947	17.3
87.00880	5.0
89.02466	2.3
92.10873	2.2
95.01388	4.8
99.00874	8.9
103.00426	1.8
113.02458	17.3
115.00389	2.2
117.01913	2.0
125.09721	1.3
145.43971	1.0
175.02432	1.6
201.11356	19.3
209.11855	17.6
249.06061	1.6
255.23335	100.0
300.46542	1.2
381.69690	1.3
505.30896	1.4
689.41083	7.8
715.42810	38.9
733.43872	74.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3664
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47963	1.7
54.44631	1.6
59.01386	39.6
61.98848	4.1
66.78461	1.8
68.07873	1.9
69.76132	2.1
70.53671	1.8
71.01385	48.0
73.88091	1.6
85.02969	3.7
89.02483	3.0
97.02959	3.1
101.02431	3.0
109.06609	7.0
113.02466	3.8
163.11287	7.7
165.12810	2.3
166.07539	2.0
171.10202	3.3
181.12404	2.7
183.13924	10.0
199.13403	4.9
207.10289	34.7
209.11884	14.9
211.13438	100.0
213.46323	2.2
225.11346	16.9
227.12888	10.4
235.08243	2.7
253.09261	7.4
341.14670	2.1
353.92392	2.3
401.23398	7.4
461.20386	2.6
637.32861	3.9
655.33484	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	733.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	1.9
59.01386	21.3
59.97904	1.5
61.98829	3.6
67.43661	1.6
69.03461	2.3
71.01383	67.8
73.02953	2.6
76.58479	1.8
81.03479	2.7
83.01383	1.9
83.05032	6.8
85.02972	2.6
87.00935	2.0
89.02451	8.8
92.10136	6.4
94.54317	1.5
95.05044	2.4
97.02942	6.0
100.13115	1.8
101.02454	10.4
109.02956	1.5
109.06594	24.6
113.02484	1.7
115.50768	1.6
125.02460	9.4
135.08220	3.1
142.02731	2.0
161.04483	2.0
161.09734	2.3
163.11267	13.9
165.12848	2.0
171.10245	10.2
181.12372	8.5
183.13907	11.9
185.11884	3.1
199.13394	8.4
201.11345	3.3
207.10292	65.6
207.12141	3.4
209.11894	32.4
211.11418	3.2
211.13445	100.0
225.11382	40.5
227.12967	10.6
235.08218	2.2
253.09250	13.8
269.90268	1.6
300.66229	1.7
383.22241	2.4
384.18372	1.7
391.24930	2.6
401.23602	4.0
419.24500	3.9
447.23129	2.1
461.20334	13.7
505.75214	1.8
637.32397	10.0
655.32782	12.5
656.33997	1.8
748.33661	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	3.6
59.01391	23.7
61.98840	8.0
68.99847	2.2
71.01396	34.1
71.01737	2.5
73.02982	3.0
75.00895	7.8
81.03489	2.9
83.01424	4.3
83.05046	7.5
83.83751	1.9
85.02966	2.6
87.00907	2.2
89.02475	7.8
91.51501	2.0
97.02972	8.7
97.06619	3.4
101.02455	9.7
109.06602	17.4
110.03755	3.4
111.04553	14.1
111.08168	2.5
113.02421	2.6
121.06639	2.7
125.02464	7.6
125.09737	10.1
133.02902	2.0
137.91843	2.0
142.02760	3.1
149.09753	3.2
151.11330	3.6
153.09178	3.8
161.04559	2.5
161.09700	8.9
163.11314	12.6
171.10280	27.7
177.09233	9.0
179.10861	14.4
185.11926	2.6
191.10803	2.2
197.11865	11.0
201.11299	3.7
201.87277	2.2
203.68230	1.9
205.08672	17.5
207.10300	40.7
209.11888	36.4
211.13469	11.6
213.11346	3.6
223.09776	46.1
225.11378	10.7
227.12949	3.1
239.12950	13.6
241.14375	2.7
253.09311	14.0
273.17120	100.0
419.19287	2.6
459.18906	4.6
715.35779	11.6
733.36975	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	733.3293
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37432	1.1
51.53396	1.2
58.47760	1.1
59.01403	8.1
60.99314	20.8
60.99571	1.2
61.98848	11.6
71.01406	8.0
83.05066	1.7
83.17678	1.2
88.98808	100.0
89.02473	2.6
109.06637	1.9
135.08167	1.6
163.11267	2.5
171.10228	4.3
207.10260	5.5
209.11868	24.0
210.12273	1.5
211.13504	1.8
223.09822	2.4
225.11313	2.4
227.12897	2.5
237.14961	6.8
253.09299	1.8
273.17166	1.8
327.25879	1.6
445.27475	1.3
453.01740	1.4
476.28387	1.4
550.20770	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10855	0.6
53.43845	0.5
57.03440	0.8
58.00600	0.7
59.01388	5.2
61.98833	4.3
62.16660	0.5
63.69173	0.5
69.00657	0.5
71.01377	1.4
80.02684	1.1
81.03443	1.0
83.05019	5.4
84.02180	1.0
87.00883	0.7
89.02455	2.6
95.04987	0.7
101.02451	2.5
113.02433	1.2
125.09692	2.3
135.08136	0.9
163.11325	4.6
165.12836	4.4
171.10260	0.9
181.12505	0.8
191.10759	1.0
197.11923	6.5
199.13434	3.9
201.03532	0.7
209.11873	100.0
210.12202	2.2
211.13486	0.9
225.11360	1.2
227.12941	15.4
231.07358	0.6
253.09422	4.4
270.97943	0.6
273.17114	3.5
313.28851	0.7
445.20779	1.0
621.45288	0.7
637.32800	1.1
655.33441	1.1
667.77789	0.7
733.36658	4.6
762.17566	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.3665
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57273	0.7
55.01894	1.1
57.03454	1.2
59.01390	10.7
61.98835	11.2
65.21925	0.8
66.17831	0.9
68.99837	3.9
69.03468	4.1
71.01383	16.3
72.99321	0.8
73.02964	1.2
81.03468	1.9
83.01402	4.7
83.05041	5.3
85.02969	4.5
86.50515	1.1
87.00896	3.8
87.31792	0.8
89.02455	5.3
93.61837	0.9
97.02953	6.1
97.06593	1.1
97.22260	1.0
101.02454	6.0
109.02972	2.3
109.06614	5.1
110.03753	4.7
111.00875	1.0
111.04532	12.4
113.02462	3.6
116.92843	1.5
122.03746	1.2
123.04527	1.8
123.08142	2.1
125.02499	1.8
125.06108	1.3
125.09740	10.6
135.08165	4.6
151.11331	4.1
153.09203	1.6
158.43274	1.0
161.09776	7.7
163.11345	6.0
171.10289	31.2
177.09196	3.8
179.10777	13.0
181.12335	1.7
183.13835	1.3
185.11835	3.6
191.10828	1.4
195.10291	1.5
197.11855	6.4
205.08713	17.0
207.10283	16.6
209.11882	14.0
211.13416	4.7
213.11299	4.3
223.09796	35.5
225.11395	5.4
235.08282	2.2
239.12933	4.8
241.10901	5.0
241.14418	1.6
253.09317	10.2
273.17114	100.0
441.17789	1.3
459.18884	4.2
715.35352	9.5
733.36670	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	733.2304
Annotation	Unknow
Peak:m/z	Relative Intensity
58.75425	0.9
59.01390	6.4
61.98835	53.5
71.01398	7.5
71.83195	1.1
75.00893	4.3
78.95937	1.0
83.05050	1.4
108.02187	1.4
109.06608	1.9
116.41375	1.1
125.02460	2.5
134.03761	11.2
134.38248	1.1
136.01671	4.6
141.03401	1.3
145.02988	1.8
148.01688	1.6
149.06090	6.2
150.03249	2.4
151.03995	7.5
157.39037	1.2
161.02446	1.1
163.04079	1.2
163.11345	2.0
165.05560	6.4
171.10175	1.2
187.03984	1.3
195.04434	1.0
197.11897	1.9
199.04092	1.2
207.10316	8.6
209.11874	14.3
210.12128	1.2
211.04099	3.9
211.13481	8.8
223.03868	1.1
225.05655	1.9
225.11340	3.8
227.03638	1.6
227.12866	1.6
239.03528	1.4
251.03517	5.3
253.05104	4.2
254.05855	1.5
255.03024	23.3
267.02975	14.8
279.03006	31.6
280.03903	8.5
282.05383	15.4
293.04636	4.6
357.07803	3.7
373.07751	1.5
401.06726	24.6
416.08963	4.2
417.63107	1.1
431.11426	100.0
432.12015	1.6
447.13718	4.2
486.52847	1.2
705.23273	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	732.3103
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11629	0.7
58.86799	0.7
58.95501	0.8
59.01398	0.9
61.55853	0.7
61.98840	100.0
75.93475	0.9
77.08584	0.8
138.51173	0.8
139.64450	0.7
140.11061	0.8
207.10260	1.4
208.10565	0.9
225.11337	0.9
315.16519	0.9
361.59335	0.9
522.57074	0.8
558.46521	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	732.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	0.5
59.19750	0.3
61.98838	100.0
71.01347	0.3
79.24059	0.3
88.18803	0.4
95.03615	0.3
108.02187	0.3
134.03751	0.8
147.49388	0.3
187.57910	0.4
207.10184	0.4
209.11868	3.8
210.12202	1.8
223.13486	0.7
224.13716	0.6
251.03615	0.4
255.03056	1.2
267.03027	0.6
279.02997	1.7
280.03952	0.5
282.05338	0.6
401.06586	0.8
431.11465	6.0
558.92114	0.4
638.86926	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	733.1425
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.9
59.61919	2.0
63.02411	7.9
65.00050	1.9
65.00349	13.0
70.30708	1.9
76.69132	1.9
82.91628	2.2
83.01400	13.9
93.03459	44.7
95.01405	3.5
96.58408	1.9
107.01399	21.2
109.02944	2.8
117.03502	3.7
119.05024	9.3
123.82110	1.9
124.01620	3.3
125.02445	13.8
128.08905	2.8
135.00830	3.2
135.04520	10.4
137.02530	4.0
140.20065	2.2
145.02956	3.3
149.00943	4.7
151.00378	73.7
152.01170	32.7
153.01935	11.1
159.04521	4.2
161.02437	8.1
163.00377	9.7
169.01402	4.2
178.99840	33.9
201.05573	10.1
206.99399	23.6
208.00105	16.3
213.09195	4.2
215.03537	2.9
227.03516	5.3
229.05042	4.9
243.85690	2.6
245.04553	87.0
255.02861	15.8
257.04575	8.3
257.08197	34.1
273.04083	100.0
284.03302	5.2
285.04019	8.6
291.78192	2.1
292.97867	2.5
301.03616	85.2
301.07138	8.8
431.09772	13.1
622.16254	2.4
651.47473	2.4
757.30994	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	729.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18506	0.3
52.39702	0.3
57.03467	0.6
59.01391	8.3
69.03464	2.1
71.01376	4.6
71.05016	0.6
73.02954	0.7
76.58636	0.5
80.02676	1.7
81.03461	0.9
83.01399	0.5
83.05040	4.5
84.01049	0.4
84.02196	0.5
85.02973	0.6
87.00891	0.9
89.02464	4.1
95.01385	0.4
95.05042	1.1
97.06602	0.6
101.02431	4.5
101.80169	0.5
109.06585	1.1
110.16331	0.5
113.02492	1.8
117.94264	0.4
125.02361	0.5
135.08195	0.6
143.03485	0.5
149.09732	0.8
161.04584	2.0
163.11327	3.1
165.12825	2.3
167.10799	5.5
177.12836	0.6
179.05656	0.7
179.10765	1.0
179.14418	4.1
183.63551	0.5
195.13927	16.1
205.12369	14.2
207.10275	0.8
209.11870	79.8
211.13428	0.9
223.13432	100.0
224.13789	0.6
227.12915	10.4
235.08238	2.4
253.09300	9.6
261.15094	1.0
441.21552	0.6
445.20963	1.0
459.22495	15.6
633.32947	0.6
651.34253	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	731.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.0
59.01385	9.4
59.20842	0.5
60.95925	0.5
71.01385	4.8
71.05031	0.7
73.02956	0.8
80.02705	2.5
81.03471	1.3
83.01402	0.8
83.04594	0.8
83.05014	6.9
84.02199	1.3
85.02943	1.0
87.00890	0.7
89.02457	3.0
95.05050	1.0
97.02946	7.8
97.06541	0.7
98.37975	0.7
99.00879	6.8
101.02440	4.5
107.05066	0.6
109.06597	10.4
110.03792	0.8
113.02452	2.6
121.06591	0.8
125.02413	0.6
125.09734	4.7
135.08148	2.1
136.05276	1.0
142.02684	2.2
161.04532	1.3
161.09744	1.3
163.11299	16.6
165.09216	0.6
165.12825	3.0
171.10179	0.6
179.10715	0.7
181.12354	13.2
189.09247	1.0
191.10762	1.2
197.11920	0.9
199.13388	1.0
207.08270	1.2
207.10298	54.8
209.11865	100.0
210.12277	0.7
223.13638	0.7
225.11365	64.5
227.12901	11.9
235.08287	0.7
243.12405	5.8
253.09267	5.4
267.64532	0.6
399.21957	0.9
417.22974	1.2
443.19635	1.0
461.20416	14.7
538.87439	0.7
635.30487	4.4
653.32111	14.6
671.32874	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	729.3563
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17852	0.5
57.03456	1.0
58.00615	1.0
59.01386	64.0
71.01385	29.1
71.01772	1.0
72.99323	3.0
74.11145	0.6
76.57741	0.6
83.01409	1.5
85.02961	6.7
87.00906	0.8
89.02454	38.6
94.58607	0.6
95.01401	2.7
96.96038	4.7
97.02936	0.9
97.22678	0.7
99.00854	1.2
101.02455	20.3
109.02953	3.9
111.00845	0.8
113.02461	12.6
115.81474	0.6
116.92894	1.4
117.91964	0.6
119.03500	15.0
119.05010	1.4
123.04588	2.8
125.02457	7.7
137.02446	1.5
143.03456	0.7
149.02455	2.7
151.03999	1.5
161.02446	0.7
161.08224	0.7
165.05530	1.0
167.03497	0.6
175.04030	1.0
177.01938	1.0
179.03487	1.0
184.41248	0.6
195.06633	0.9
243.02974	0.9
287.05692	0.8
289.07251	7.2
292.42102	0.6
323.13528	100.0
323.40201	0.6
434.16736	0.8
472.48898	0.7
493.29745	0.7
545.69904	0.8
629.21448	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10086	0.8
55.25093	0.8
57.03234	0.7
57.03463	9.0
58.45104	0.8
59.01414	0.9
62.88146	0.8
63.92937	0.8
71.01410	1.2
75.54713	0.9
81.03479	1.8
83.01388	2.0
91.69315	1.0
97.02956	4.9
107.01427	1.0
108.02159	1.2
109.02969	16.4
110.98679	0.9
119.05047	7.1
121.02966	1.4
123.04543	13.4
125.02447	100.0
133.02960	4.9
135.04514	2.3
137.02467	14.6
139.04002	1.4
145.03017	1.7
149.02440	4.1
151.00331	1.8
151.04008	11.4
159.04521	3.7
161.01256	1.6
161.02449	24.3
161.06068	4.1
163.04030	12.9
164.01176	4.1
165.01965	1.8
169.01437	18.6
173.05994	1.2
174.03273	1.1
175.04015	8.1
177.01929	3.7
177.05510	1.0
179.03516	1.8
183.04529	1.1
187.04008	3.9
197.06212	1.1
199.04044	2.2
201.05609	3.7
203.07166	5.3
205.05139	6.8
215.03586	1.1
215.07138	1.2
217.05083	1.2
225.05557	4.1
227.03439	2.3
227.07167	1.8
228.04146	1.2
229.05061	2.2
231.03026	2.2
240.04449	1.0
241.05280	1.1
243.03117	2.0
243.06711	1.3
245.04524	4.5
245.08124	6.7
255.03027	6.2
256.03741	2.1
257.04565	1.7
259.06146	4.7
269.04562	18.6
271.03342	1.0
271.06110	1.5
273.04156	1.7
281.04568	4.4
283.02625	1.2
283.05930	1.0
285.04050	4.0
287.05658	11.5
289.07205	24.2
299.05643	1.7
303.04874	1.7
313.32330	1.3
407.07718	24.6
417.87036	1.2
425.08905	11.3
433.09335	5.6
437.08621	1.4
449.10181	5.2
451.10617	8.9
541.11151	1.3
559.12567	8.1
577.13702	17.5
694.79968	1.2
729.14148	1.2
756.06415	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83200	1.3
57.03465	2.5
59.01389	31.7
64.35201	1.7
68.66747	1.6
69.03469	2.7
71.01373	12.3
73.02960	2.3
81.03469	8.2
83.05041	6.7
85.02962	2.2
87.00867	2.9
89.02441	6.7
92.10777	1.4
93.03474	1.9
95.01432	2.0
95.04991	1.9
97.02944	12.1
97.06613	2.1
99.00901	1.7
101.02455	7.0
109.06601	47.1
111.00933	1.6
113.02429	2.4
121.06604	2.3
123.04583	2.0
125.09718	11.7
135.08176	9.5
142.02754	7.0
145.10281	1.6
149.09827	1.5
161.09657	2.5
163.11311	29.7
174.70148	1.6
175.11299	1.8
179.10826	2.1
181.12361	6.8
185.12054	1.6
189.09149	2.1
207.10315	100.0
209.11894	16.1
211.13362	3.2
219.10063	2.5
225.11360	51.7
227.90630	1.6
237.11322	1.6
253.09326	3.0
263.12943	2.8
268.10550	1.8
341.71719	1.8
345.20538	1.6
371.18753	1.8
389.19711	2.0
397.20294	3.4
415.21255	8.8
433.22403	2.3
443.19153	1.8
461.20697	11.2
573.07416	1.8
597.29663	1.7
607.27808	10.2
625.28955	19.2
633.29272	7.2
651.30408	38.9
669.31543	27.4
673.77289	1.8
675.40265	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	729.1471
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47980	0.5
57.03454	11.2
69.03477	0.8
78.51862	0.5
78.61768	0.5
81.03477	2.5
83.01378	5.2
84.35263	0.5
89.03983	0.5
93.03468	1.0
95.01436	0.8
95.05014	1.1
95.51653	0.7
97.02979	4.6
107.01396	0.9
107.05120	0.6
109.02954	17.7
110.43242	0.6
117.03468	0.8
121.02968	3.1
123.00870	1.1
123.04528	11.7
124.01691	0.7
125.02443	100.0
131.05077	0.8
133.02965	4.5
135.04510	4.4
137.02449	22.6
139.04033	3.6
145.02956	4.7
146.03720	1.4
147.04578	0.7
149.02473	5.7
150.03282	0.7
151.04021	13.6
159.04543	6.6
161.01108	0.9
161.02457	24.4
161.06090	5.5
162.03209	2.5
163.00467	2.2
163.04024	4.1
164.01147	4.3
165.01920	6.1
169.01451	20.3
174.03197	0.9
175.04018	14.1
175.07683	0.7
177.01936	13.3
177.05524	1.0
179.03601	4.6
183.04529	1.2
185.06111	3.3
185.28723	0.6
187.04027	7.0
188.04778	3.5
189.01970	0.7
193.01390	1.2
197.06076	0.8
198.46271	0.6
199.04048	4.3
201.01898	0.9
201.05656	2.9
202.06364	0.9
203.03575	2.5
203.07201	8.9
205.01381	0.8
205.05049	5.2
209.06215	1.0
211.04044	1.1
213.05582	1.5
214.02805	0.8
215.03560	1.1
217.05064	3.7
219.03046	1.4
221.08171	1.3
225.05612	0.9
227.03525	4.0
227.07225	3.0
228.04257	0.9
229.05096	3.6
231.03046	1.0
241.04857	0.7
243.03004	9.5
245.04559	5.7
245.08224	11.6
253.05215	4.3
255.03030	12.7
256.03757	6.1
257.04620	3.3
259.06039	1.1
269.04608	2.5
271.06158	9.2
273.04245	0.9
281.04507	3.4
283.02524	1.4
285.04037	5.1
287.05664	5.0
289.07211	45.1
297.04205	1.1
299.05640	1.3
303.05136	1.4
329.06693	0.7
339.08932	1.4
363.09113	0.9
381.10010	0.8
389.06796	6.5
407.07764	62.5
408.07901	1.2
425.08743	4.3
433.09225	3.3
441.08118	9.3
451.10440	12.1
517.53027	0.7
559.09430	2.7
577.14288	6.4
603.11584	3.2
729.14667	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	729.1474
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03452	7.3
64.11589	1.9
81.03481	2.0
83.01389	2.6
95.05032	3.6
97.02941	2.6
109.02982	17.9
121.03063	2.4
123.00882	2.2
123.04527	9.3
125.02440	100.0
126.02759	3.2
133.02956	4.5
135.04491	6.6
137.02409	19.3
138.02977	1.8
145.02985	3.4
149.02451	8.3
150.03235	2.3
151.04002	13.5
159.04529	4.4
161.02426	20.3
161.06007	2.4
163.00343	2.8
163.04002	3.1
164.01250	2.4
165.01944	9.8
167.03531	7.9
169.01418	36.9
175.04005	9.7
177.01936	9.6
179.03546	9.0
183.47232	1.9
187.04039	7.2
199.04060	2.1
201.05620	6.4
203.07199	2.4
205.05005	4.3
217.04988	2.1
225.05597	2.8
227.03554	2.7
241.05000	2.7
243.03011	8.2
245.04527	30.6
245.08238	8.4
249.67845	2.1
255.03004	3.3
256.03586	2.5
269.04559	9.3
271.06229	3.3
287.05591	2.3
289.07236	19.2
303.05179	2.9
303.69717	2.3
313.07181	2.9
331.08282	3.1
407.07574	18.0
412.39316	2.2
425.08850	2.8
433.09592	2.9
441.08490	2.2
448.49377	2.1
451.10315	3.8
577.13458	9.3
729.15070	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	729.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	13.5
57.16072	0.3
65.00343	0.3
67.01895	0.4
69.03459	0.7
74.77531	0.4
81.03457	2.5
83.01393	4.6
83.05025	0.4
89.28201	0.4
92.10773	1.3
92.53424	0.3
93.03461	1.9
95.01403	0.8
95.05019	2.1
97.02956	3.9
102.84145	0.3
103.11453	0.3
107.01392	0.7
107.05028	1.7
108.02212	0.7
109.02955	19.6
111.00878	0.4
117.03471	0.7
119.04966	0.5
121.02946	2.6
122.03732	1.3
123.00860	1.2
123.04524	13.0
124.01696	0.5
125.02439	100.0
126.02772	0.6
131.05017	1.4
133.02956	5.4
135.00914	0.3
135.04498	4.3
137.02443	20.6
137.03496	0.8
139.03975	2.5
143.05023	1.4
145.02962	6.1
146.03751	1.7
147.04564	0.8
149.02455	5.8
150.03242	2.2
151.00395	0.4
151.04008	16.2
157.06554	0.6
157.76682	0.3
158.03674	0.5
159.04504	7.3
160.05338	1.5
161.02454	22.9
161.06073	5.6
162.03209	2.8
163.00427	2.8
163.04030	4.2
164.01164	4.5
165.01950	5.7
166.02711	0.5
167.03532	1.3
167.04985	0.4
168.99974	0.7
169.01424	18.9
171.04526	0.4
173.02538	0.4
173.06084	1.7
174.03253	1.6
175.04018	13.9
175.07603	0.8
176.01138	0.7
177.01935	13.4
177.05511	2.0
179.03517	4.7
181.06592	0.4
183.04472	2.1
185.02538	0.4
185.06090	4.2
187.04025	8.6
188.04820	3.0
189.01891	0.7
189.05547	0.4
193.01434	2.2
193.05074	0.6
197.06114	0.6
199.04015	3.5
200.04765	0.5
201.01935	1.5
201.05585	4.2
202.06325	1.5
203.03473	1.8
203.07152	9.5
205.01402	2.2
205.05081	5.7
209.06129	1.5
211.04024	2.6
212.04735	0.6
213.05630	2.5
214.02834	0.4
215.03462	1.7
215.82231	0.3
217.05104	3.8
219.03023	1.7
221.06216	0.4
221.08226	2.1
225.05611	1.6
227.03464	4.2
227.07123	3.9
228.04315	2.4
229.05069	3.9
230.05800	0.6
231.02956	0.7
237.05730	0.8
239.03581	0.4
241.05112	1.7
242.02150	0.5
243.03006	9.3
243.06693	0.8
245.04550	6.1
245.08206	11.7
247.06256	0.5
253.05092	3.1
255.02998	15.6
255.06752	0.7
256.03809	6.7
257.04593	3.7
267.02939	0.7
269.04596	4.8
271.06149	8.5
273.04062	1.6
280.03696	0.4
281.04666	4.3
282.01642	0.5
283.02631	2.5
284.03195	0.6
285.04086	5.2
287.05542	3.4
288.02856	0.6
289.07211	38.2
297.04105	2.2
297.07584	0.7
299.05518	2.0
303.05154	1.9
321.07788	0.8
339.08871	2.7
363.08871	0.5
381.09857	1.6
389.06781	5.6
407.07761	70.9
408.08124	1.7
425.08694	3.0
433.09439	3.0
441.08279	7.9
451.10410	9.9
541.11279	1.3
559.09882	3.6
577.12854	4.0
603.11523	2.2
685.53058	0.4
711.13776	1.2
729.14850	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	729.1471
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
57.03456	11.4
58.28445	0.4
59.97702	0.4
60.70321	0.5
68.47529	0.5
69.03474	1.0
74.11198	0.5
75.67857	0.5
79.43391	0.5
81.03464	2.2
83.01411	3.8
85.45702	0.5
88.03791	0.6
89.03967	0.6
92.10790	1.0
93.03468	1.4
95.01363	0.8
97.02957	3.2
107.05007	1.0
109.02959	20.1
109.03681	0.9
110.83048	0.5
117.03493	1.1
121.02962	4.6
122.03763	0.9
122.94773	0.5
123.00899	1.4
123.04524	12.2
124.01643	0.8
125.02445	100.0
126.02784	0.7
131.05052	2.3
133.02979	5.1
135.04510	3.7
137.02451	19.1
139.04042	3.0
145.02968	5.1
147.04543	1.4
149.02460	7.1
150.03264	1.3
151.00383	0.7
151.04024	14.1
153.01921	0.6
155.18347	0.6
159.04547	6.1
160.05287	0.8
161.02461	25.0
161.06049	5.7
162.03188	1.3
163.00343	2.4
163.03998	3.0
164.01125	3.8
165.01981	5.4
167.03525	0.8
169.01450	19.4
169.02777	0.8
173.06033	0.7
174.03235	1.0
175.04008	10.2
175.07689	1.2
177.01936	10.9
177.05534	0.8
179.03456	4.2
183.04509	1.3
185.06113	3.2
187.04031	8.6
188.04778	1.4
193.01440	2.4
197.06053	0.7
199.04036	4.8
199.07693	0.7
201.05725	4.1
203.03499	2.5
203.07199	9.1
205.01494	1.2
205.05107	5.6
209.06093	0.8
211.04048	3.4
212.04817	1.0
213.05620	1.4
214.02838	0.7
215.03484	2.4
217.05042	3.4
219.03047	0.8
221.08211	2.3
225.05632	2.5
227.03534	2.9
227.07234	3.8
228.04271	1.4
229.05046	3.9
241.05040	1.0
243.03055	9.0
243.06853	0.8
245.04579	6.2
245.08189	12.8
247.06097	1.3
253.05176	4.3
255.03006	14.6
256.03775	6.7
257.04602	3.8
267.03152	0.9
269.04596	4.1
271.06152	6.8
281.04593	3.5
283.02499	2.5
285.04095	4.5
287.05670	2.9
288.02603	1.0
289.07208	40.1
290.07602	0.9
297.04068	3.1
299.05713	1.1
303.05176	4.3
321.07727	1.2
339.08780	1.4
381.09760	1.0
389.06747	5.0
407.07767	68.9
408.08124	1.3
425.08844	4.0
433.09277	2.7
441.08484	6.4
451.10434	9.5
541.11377	0.6
555.28522	0.6
559.08435	4.2
577.13367	4.7
603.11505	2.3
653.52838	0.7
665.55151	0.7
729.14465	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	727.333
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14522	2.2
57.03487	2.6
59.01397	5.1
65.80145	2.5
71.01389	2.3
82.84673	2.8
85.02956	2.5
92.10835	3.4
96.41434	2.5
101.02460	3.9
109.02934	2.9
125.02483	10.1
163.11298	3.0
201.11302	21.6
209.11850	100.0
227.12929	22.7
253.09235	12.2
268.75507	3.1
322.93851	3.0
437.20282	3.6
445.20828	14.3
450.82401	3.1
487.70917	4.1
552.68970	3.0
629.31250	4.0
727.33154	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	727.4141
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32808	2.1
59.01389	40.7
71.01390	35.5
73.02930	3.3
85.02966	5.0
87.00883	10.9
89.02454	24.8
96.15369	2.2
97.02969	3.3
101.02424	25.8
101.78821	2.4
113.02487	14.9
119.03503	9.9
120.33093	2.5
125.02467	5.5
139.35216	2.3
147.87158	2.7
152.99591	3.5
171.10349	4.3
189.00908	2.6
207.12123	2.9
214.24846	2.6
235.08330	10.2
240.49297	2.5
255.23314	10.7
257.45071	2.8
269.24896	100.0
397.13547	84.2
415.14639	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	727.3337
Annotation	Unknow
Peak:m/z	Relative Intensity
57.98349	4.6
59.01381	5.8
60.53871	5.8
71.01351	5.7
72.55766	4.9
103.93327	5.1
125.02544	8.1
149.00845	6.1
155.44562	5.3
162.24178	5.1
176.87883	5.4
199.13440	9.2
209.11893	100.0
227.12910	58.2
253.09344	7.3
347.74356	6.3
347.78729	6.8
427.57254	6.3
463.21405	7.1
551.56726	5.9
637.32678	11.9
655.33502	27.5
673.34235	7.8
720.00616	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	727.195
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70939	1.1
53.00058	1.2
55.01881	2.0
57.03465	7.1
59.01386	25.2
59.73357	1.3
60.77238	1.1
69.03458	11.0
71.01384	16.6
71.08110	1.4
73.02954	10.3
81.03465	5.5
83.01394	3.2
85.02949	57.7
86.49352	1.5
87.00874	100.0
93.03482	2.5
95.01408	22.6
96.95997	1.8
97.02946	26.9
99.00871	1.6
99.04556	2.9
103.04000	5.8
108.02212	1.8
109.02962	7.6
109.89194	1.5
111.00886	8.1
113.02473	15.5
115.00380	8.7
119.05043	1.6
123.04508	2.4
125.02430	2.6
127.04012	8.7
129.01823	1.9
131.36293	1.5
139.00380	9.4
145.05083	2.7
149.00987	1.8
155.03546	1.9
157.01450	9.0
165.05560	2.4
173.04602	1.7
175.02472	26.0
199.02538	15.8
217.03566	13.2
253.03535	3.4
255.78041	1.8
303.07236	9.2
321.07996	1.8
345.08276	2.8
372.48273	1.7
387.09470	6.2
405.10428	3.5
623.15295	1.8
709.18451	9.9
727.19739	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.0
59.01395	5.3
71.01394	3.6
73.02974	2.1
78.95914	7.4
81.78456	1.4
84.85805	1.5
87.00897	1.6
89.02468	1.7
93.93833	1.5
96.40441	1.4
97.06574	6.4
125.02440	3.6
151.11307	14.6
152.99605	16.4
161.04536	1.8
169.12354	100.0
195.13940	2.2
197.11830	6.7
213.11377	7.9
223.13507	2.2
235.08211	1.8
279.69470	1.4
293.21390	12.3
309.20691	2.4
312.90552	1.5
349.50021	2.0
449.20297	6.2
461.74161	1.9
725.41321	82.8
726.42450	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	727.1529
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64024	0.4
54.11524	0.3
54.83043	0.3
55.38805	0.3
59.01387	7.4
59.94892	0.4
62.79746	0.3
63.08479	0.4
72.91109	0.4
72.99327	2.6
76.73706	0.4
82.64845	0.5
87.00331	0.6
87.00872	12.6
87.01377	0.7
88.30513	0.4
92.70412	0.4
93.03477	0.6
93.78572	0.4
103.00379	2.7
111.00767	0.4
112.98817	6.4
119.05023	75.7
120.05383	0.6
130.99857	1.7
133.01439	2.0
135.04491	0.8
149.00929	28.4
163.04018	100.0
163.41986	0.4
164.04446	0.6
180.76848	0.4
295.01428	0.8
295.04620	18.8
310.06262	0.4
437.56155	0.5
470.08057	0.5
594.70551	0.6
630.55505	0.5
724.90344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	12.3
61.51816	2.4
61.98840	3.3
71.01389	16.4
81.03479	3.0
83.05046	3.7
89.02435	3.1
90.44564	2.9
97.53458	3.6
101.02425	3.6
109.06621	19.0
125.09789	3.2
148.62103	3.5
163.11275	21.7
171.10370	10.1
181.12338	4.1
188.51479	3.1
197.11826	3.6
207.10292	59.1
209.11880	100.0
225.11385	34.2
227.12939	17.0
253.09344	6.4
315.26801	3.8
461.20428	10.9
600.60577	3.1
653.31268	4.2
671.32733	5.9
752.85938	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	725.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83475	6.0
50.90572	6.5
52.17147	5.3
59.01406	9.7
61.98849	34.7
77.94060	6.1
78.95951	8.0
92.10083	16.3
106.93713	8.0
108.78356	7.7
134.03862	7.7
163.11479	8.2
173.06204	8.5
189.05414	6.2
202.96182	6.9
207.10291	12.4
209.11865	100.0
211.13426	48.8
225.11345	7.2
248.04680	7.4
370.86996	7.3
619.37402	7.1
725.35754	39.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.3778
Annotation	Unknow
Peak:m/z	Relative Intensity
56.20403	0.9
59.01389	16.7
59.70442	0.8
61.98838	1.2
65.79880	0.9
69.03465	2.4
71.01390	2.4
80.63205	0.9
82.94198	1.0
85.97363	1.1
89.02458	1.6
101.02458	2.2
113.02466	1.2
116.92857	2.0
150.62932	1.0
167.10735	2.2
179.10889	1.9
179.14426	5.5
195.13951	13.0
197.11852	16.3
205.12350	12.4
223.13448	100.0
235.08214	1.3
238.64067	1.0
251.08337	1.1
253.09322	6.7
291.19720	1.5
309.20688	1.3
441.21194	2.3
459.22552	17.6
647.34326	1.4
665.35693	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	723.4334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00103	0.4
57.03485	0.4
59.01390	4.9
71.01379	3.2
73.02963	0.9
80.02689	0.6
81.03447	0.9
83.01407	0.4
83.05035	3.5
84.02198	0.5
85.02982	0.9
87.00893	1.0
89.02461	2.5
90.62611	0.4
92.10726	0.9
101.02432	4.1
113.02451	1.9
114.29327	0.4
119.03509	0.5
125.06009	0.5
161.04536	0.6
163.11304	3.4
165.12889	2.1
169.18756	0.4
191.10782	0.6
198.31337	0.4
200.93748	0.4
204.47311	0.4
209.11862	66.5
227.12900	6.7
235.08290	4.0
242.44444	0.6
253.09280	8.2
277.21747	100.0
278.22147	0.7
623.60535	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	725.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.9
57.03456	15.0
57.08369	0.5
59.01384	6.6
63.97798	0.4
71.01379	7.3
72.99329	2.3
73.02962	1.1
75.00877	3.0
76.58638	0.5
83.01383	7.8
84.01710	0.4
84.02151	1.7
85.02953	65.4
87.00876	2.8
89.02483	0.7
101.02440	7.3
103.00373	0.9
103.04002	2.1
111.00887	31.4
111.01658	1.1
119.05018	4.2
125.02479	2.5
129.01944	23.0
133.03004	0.9
135.04482	1.8
147.03032	4.8
160.01697	0.8
161.04565	1.9
163.02600	0.9
163.03993	2.3
175.03993	2.1
179.03519	1.0
182.39279	0.5
187.02467	3.5
205.03564	34.5
219.43466	0.5
223.04623	100.0
224.05002	0.7
369.08377	6.3
652.76190	0.7
691.16443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	0.4
61.98839	100.0
71.20896	0.5
83.04107	0.4
91.25129	0.4
103.40350	0.4
108.41418	0.5
134.03717	0.4
163.12727	0.4
169.80254	0.5
651.31458	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.1579
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	9.3
59.01378	9.1
68.52361	3.8
72.29401	5.0
83.01384	7.0
85.04454	5.0
87.00896	26.4
92.10118	14.6
95.36707	4.5
96.96020	9.2
97.06590	9.5
98.67065	4.1
107.01427	6.4
107.05044	6.2
112.05309	9.6
121.02946	45.4
122.03717	6.9
125.02440	65.8
135.04602	5.9
136.01564	4.9
137.02406	11.0
147.04530	23.6
151.00406	30.4
152.54437	4.5
163.03993	7.5
165.01881	8.9
165.09280	6.1
167.03528	8.2
177.01982	7.2
178.99878	20.2
185.06155	7.2
201.09210	5.4
209.08212	21.3
211.04047	8.2
213.05603	4.8
241.05144	39.8
267.03107	9.6
269.04440	6.7
295.02475	18.7
335.05466	6.6
347.05685	7.2
351.10892	94.7
365.06720	6.7
393.06125	23.9
403.04510	5.7
421.05713	31.3
559.08978	100.0
723.41852	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	723.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59941	0.3
56.04023	0.3
58.00577	0.3
59.01394	4.3
59.01604	0.3
71.01407	2.5
78.95913	0.4
80.02690	0.5
81.03468	0.9
83.01373	0.4
83.05049	5.0
84.02198	0.8
85.96079	0.3
89.02463	2.6
95.05022	0.8
101.02440	2.7
103.55255	0.4
113.02441	0.5
119.03527	0.5
125.06100	0.5
135.08212	0.4
147.11790	0.4
161.04472	0.6
162.23750	0.4
163.11336	4.4
165.12885	3.0
177.25151	0.4
181.12364	0.8
191.10904	0.8
197.65846	0.4
209.11877	100.0
227.12971	6.7
235.08301	0.6
253.09337	5.6
277.21768	42.7
301.28043	0.4
445.21118	0.7
692.01862	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32000	2.1
54.78964	2.5
57.03442	2.8
59.01383	18.1
61.20907	2.1
61.98829	21.3
62.39685	2.1
69.03480	2.7
71.01398	5.5
71.05015	4.2
72.04061	2.2
76.36875	2.2
83.05026	5.4
87.09174	2.3
89.02462	5.2
95.05061	3.2
97.02935	3.8
97.06583	4.2
99.00854	18.5
101.02455	6.1
113.02461	4.4
114.39317	2.9
119.05038	2.4
125.02424	5.1
125.09717	11.3
135.30075	2.5
143.25546	2.4
149.00887	2.4
163.11296	21.5
171.10287	33.7
181.12361	22.5
197.11824	12.1
199.13420	21.2
207.10274	48.3
209.09808	3.7
209.11852	99.4
210.12408	2.7
225.11348	58.6
227.12915	9.5
243.12411	24.0
247.85118	2.4
253.09467	3.1
338.06470	3.2
360.37759	2.6
479.21219	2.7
689.33960	100.0
721.35840	5.3
730.52789	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	721.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03485	2.5
57.23563	2.1
57.33578	1.9
57.45496	2.0
58.53958	1.9
59.01387	11.8
61.98845	14.1
62.79435	2.0
68.67621	1.8
71.01383	64.6
75.21503	1.8
80.12355	2.2
81.03485	3.0
83.05032	3.4
84.01727	2.3
84.02238	2.6
85.02956	2.1
86.08062	2.2
89.02488	2.4
89.54472	2.1
95.05020	2.6
97.02998	2.4
101.98424	2.1
109.06590	9.8
111.04558	2.2
125.02521	2.9
150.12958	2.6
163.11282	20.0
163.97012	2.3
171.10321	17.5
181.12257	3.4
185.11919	2.9
197.11911	9.4
199.13274	2.5
201.11313	10.5
207.10307	36.9
209.11877	100.0
211.13423	5.0
225.11368	33.3
227.12962	10.1
253.09227	4.1
259.15567	5.0
300.19785	2.4
339.75327	2.3
461.20474	4.9
662.66956	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.3217
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	22.8
61.98843	83.9
69.03436	4.0
71.01387	24.6
74.76437	3.6
83.05037	4.6
84.61697	3.7
89.03104	3.8
97.58767	4.5
101.02437	5.4
108.59129	3.9
109.06597	9.4
125.02538	3.7
127.61379	4.3
139.49844	4.5
140.73932	4.1
163.11255	6.5
179.14392	6.8
195.13899	17.0
205.12381	9.4
207.10335	54.1
209.11783	25.5
223.13454	100.0
225.11374	28.3
253.09244	10.0
308.68073	4.2
316.99606	4.1
413.23660	7.9
461.20248	7.2
667.33807	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	721.3666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00334	0.5
55.01904	0.9
57.03456	0.8
58.00621	0.8
59.01386	12.3
59.54016	0.4
61.98820	0.6
63.65235	0.6
65.26113	0.4
69.03461	0.5
71.01385	77.6
73.02967	2.6
80.02688	2.6
81.03467	4.0
83.01391	0.7
83.05027	8.1
84.02197	2.4
85.02985	3.1
87.00906	1.2
89.02447	4.2
93.03456	0.7
95.05025	1.0
97.02961	4.0
97.06599	0.7
99.00888	1.0
101.02433	5.5
101.24530	0.5
106.04298	0.7
107.05029	0.7
107.15095	0.5
107.47030	0.5
109.06601	18.5
110.03706	0.7
113.02460	3.3
119.03512	0.6
121.06612	2.3
123.08131	0.8
125.06058	0.7
125.09735	4.3
127.11277	1.0
135.08168	4.6
136.05301	0.8
137.09715	0.6
142.02666	0.8
145.10193	0.7
161.04489	0.9
161.09750	1.0
163.11301	19.2
165.12848	2.4
171.10287	13.8
181.12436	6.1
185.11841	3.4
191.10806	2.3
197.11815	0.8
201.11349	5.9
207.08293	1.0
207.10297	38.9
209.11867	100.0
210.12181	2.8
215.12753	0.8
221.11763	1.1
225.11359	26.1
227.12921	8.5
231.10341	0.7
235.08217	2.2
242.07431	0.6
243.12534	0.7
253.09314	7.3
273.17068	3.7
274.17419	3.8
275.17786	0.7
399.21719	2.9
417.22833	4.1
443.19397	1.3
461.20352	8.6
635.30737	1.1
653.32172	2.3
671.32764	5.0
672.34259	0.9
704.36346	1.0
715.28821	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	3.1
60.38596	0.8
63.02407	1.0
65.00344	1.1
68.45869	0.7
76.58339	0.8
83.01409	1.6
100.79366	0.8
101.02431	0.9
102.12750	0.9
107.01399	4.9
109.02963	1.0
125.02453	9.1
129.37953	0.8
145.84129	0.8
151.00400	11.9
163.04108	1.0
169.01463	1.1
175.04007	0.8
177.02007	1.5
178.99919	10.7
179.03526	1.0
187.04030	1.8
199.04108	1.0
202.00391	1.2
203.03546	1.5
211.04065	0.8
213.02013	1.5
214.02745	1.4
215.03540	5.6
232.03896	1.4
241.01398	1.2
241.08775	1.5
243.02974	5.4
253.05067	1.4
257.04578	1.3
267.06482	1.5
277.04993	0.9
281.04718	2.0
285.03967	1.4
293.04376	1.2
295.05936	1.1
296.55270	0.9
305.64130	1.0
309.04135	1.5
321.04013	4.7
323.05490	1.4
338.04288	1.1
339.05176	1.1
349.03583	5.0
351.05341	1.9
366.03864	3.7
367.04651	11.2
395.04117	100.0
396.04373	1.4
413.04700	0.9
557.09412	18.8
559.11456	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	721.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82838	0.9
57.03453	1.0
57.49675	0.8
58.69550	0.7
59.01387	2.2
63.74953	0.7
71.01387	6.3
73.02968	1.9
73.16038	0.9
81.03491	1.2
83.01389	1.0
85.02971	5.0
87.00891	1.7
89.02448	23.0
92.66025	0.8
95.01398	1.5
95.48620	1.1
96.96081	0.8
100.22325	0.8
101.02456	4.6
107.05003	1.0
108.02182	47.2
109.02962	50.1
111.00884	1.1
113.02418	1.1
119.05042	3.7
121.02945	1.2
123.00934	1.3
123.04549	1.3
125.02451	7.5
133.05040	7.1
135.04567	1.6
137.02438	1.2
149.06111	1.0
151.04028	2.1
152.01169	81.8
153.01959	37.3
153.03069	1.0
163.04018	4.1
165.01915	1.7
174.50287	1.1
175.42429	1.0
179.03613	1.5
204.09637	1.1
287.05789	1.2
289.07248	5.1
297.06277	6.5
315.07233	19.1
387.09399	4.9
431.12012	100.0
432.12329	1.6
499.10953	2.2
612.11902	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
55.04103	0.2
59.21516	0.2
61.98834	100.0
62.54942	0.2
63.80218	0.2
70.64632	0.2
71.01398	0.2
71.08605	0.2
73.48540	0.2
81.41223	0.2
82.51422	0.2
91.15628	0.2
96.35516	0.3
111.05917	0.2
125.02407	0.3
150.06837	1.4
151.07245	0.9
163.07634	0.2
179.10782	0.5
190.16029	0.2
209.11855	0.5
220.81082	0.3
271.02438	0.2
457.30151	0.3
468.89447	0.3
481.35159	0.3
495.36835	0.4
496.37314	1.4
497.37701	1.4
498.37616	0.5
634.09863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4197
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93520	0.5
54.99171	0.5
59.01411	0.8
61.98843	100.0
64.84512	0.5
92.10840	0.6
111.00875	1.1
124.52199	0.6
150.06853	0.8
150.18584	0.7
151.07237	0.6
179.10814	0.7
197.11900	1.4
209.11879	3.1
242.17546	0.9
497.37772	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54034	0.2
58.90451	0.2
61.98845	100.0
93.03445	0.2
105.56226	0.2
147.62909	0.2
171.19321	0.2
209.11871	1.5
210.12222	0.8
211.13383	1.2
212.13750	0.9
299.61591	0.2
351.35712	0.2
431.57007	0.2
510.77362	0.2
637.84424	0.2
672.16626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12782	1.3
54.82833	1.7
57.61241	1.3
58.02989	1.4
59.01394	14.8
63.86222	1.3
63.87091	1.4
71.01386	4.0
74.90675	1.5
83.05042	8.9
87.00897	2.4
89.02428	2.1
92.25575	1.7
101.02451	3.6
113.02458	2.1
116.23544	1.6
125.02452	3.4
135.04449	1.8
136.63921	1.6
151.11211	1.8
163.11244	4.1
165.12863	2.7
169.12331	29.3
171.10330	3.7
185.11879	6.7
195.10281	7.5
197.10179	2.5
197.11865	45.0
198.06789	1.6
209.11864	100.0
213.11397	4.0
223.09660	2.1
227.12946	8.6
253.09244	2.5
318.75818	1.8
477.23526	2.7
597.84698	1.9
687.32513	30.1
719.35248	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	13.1
61.98835	94.2
69.03491	2.8
71.01387	4.9
83.05054	2.2
89.02477	4.5
97.02980	4.2
101.02435	3.5
120.98191	2.3
163.11276	10.0
169.12402	2.4
179.10799	3.8
183.13910	5.4
197.11876	33.6
199.13472	3.1
207.10271	33.4
209.11819	8.7
211.13438	100.0
227.12904	13.2
235.08385	2.6
239.12978	29.5
253.09291	12.1
273.17224	23.8
300.19684	2.8
404.24191	2.5
429.06076	2.5
433.21033	2.8
439.88757	2.9
620.35333	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	719.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26271	1.7
53.76477	1.5
59.01386	14.9
61.98832	55.3
64.34740	1.9
69.03471	2.1
70.82998	1.7
71.01382	8.0
75.03289	1.6
83.05030	2.4
84.02188	2.0
89.02445	3.0
91.01358	1.8
93.97837	2.1
97.02960	9.2
97.06619	2.4
100.37025	2.0
101.02457	3.1
110.03780	3.5
123.08147	2.5
125.09740	3.0
163.11322	8.9
177.89381	1.9
179.10783	4.7
183.13892	8.9
191.10930	1.8
194.92818	2.0
197.11827	4.3
199.13406	8.7
207.10309	45.9
207.88420	2.0
209.11852	9.2
211.13429	100.0
227.12958	18.9
239.12907	55.0
253.09375	10.8
271.15561	9.5
273.17130	41.9
345.88309	2.2
493.12177	2.2
719.38989	2.4
728.49646	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	719.351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85312	1.8
56.24451	1.9
59.01384	25.1
60.41176	2.2
61.80603	2.0
61.98839	19.0
71.01389	82.5
73.02929	3.7
78.91210	2.0
81.03455	2.6
83.05031	4.2
85.02962	2.9
89.02493	2.8
91.05524	3.1
93.03463	11.6
97.02955	13.0
101.02429	4.9
109.06603	24.7
113.02500	2.9
119.05042	2.7
121.02925	4.3
121.06583	2.5
123.04602	2.6
134.03770	26.5
135.04538	38.2
135.08186	5.2
139.07635	2.3
149.06079	9.5
163.11298	25.1
169.12373	11.7
171.10274	19.1
179.10869	2.7
181.12378	2.5
183.13863	9.2
185.11894	4.4
197.11865	100.0
199.09740	4.0
201.11295	12.7
207.10292	89.1
209.11887	44.2
210.12170	4.5
211.13339	14.3
212.13751	9.7
213.11298	3.5
223.79680	2.4
225.11363	50.7
227.12997	3.2
235.08250	2.5
251.07140	2.9
253.09041	13.3
255.06567	8.3
265.05121	2.8
267.06543	3.1
269.08267	4.2
273.17090	12.1
309.07751	3.2
357.11343	4.4
359.22440	3.0
369.20691	3.3
377.83466	2.5
387.21906	5.2
405.13388	3.8
405.22726	3.0
430.03235	2.6
460.70486	3.0
461.20267	14.0
565.18506	3.3
623.30640	4.7
641.31891	12.8
642.32745	3.2
659.22461	13.0
662.04565	3.1
719.39374	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	719.2027
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28926	0.8
59.01393	10.0
59.01641	1.0
71.01386	6.6
71.91272	0.8
72.05804	0.8
88.46033	1.1
89.02446	14.5
92.11642	0.8
101.02460	5.5
111.00890	1.6
113.02473	4.8
119.03520	5.0
128.84410	0.9
179.05634	5.2
215.03329	5.0
341.10962	23.0
377.08630	100.0
489.62613	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.351
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	2.8
59.01384	18.1
60.34117	1.5
61.28648	1.7
61.98835	8.4
68.97129	1.7
68.99817	1.9
70.83829	1.5
71.01382	46.6
73.02969	2.6
80.02695	2.3
81.03455	7.7
83.05034	11.4
85.02950	3.2
86.59425	2.2
89.02442	2.5
95.05056	3.0
97.02930	3.1
101.02446	9.0
101.30904	1.8
109.06590	19.2
109.79248	2.1
111.04520	4.1
121.63466	2.2
125.02419	2.8
125.09712	3.4
135.08182	3.2
161.09698	7.8
163.11334	18.4
165.09282	1.8
171.10274	18.6
179.10785	8.8
181.12379	3.7
183.13887	4.0
197.11890	3.7
205.08711	14.4
207.10303	55.9
209.11864	100.0
211.13344	8.7
213.14984	20.6
223.09756	22.2
225.11308	28.9
227.12918	9.0
253.09297	9.3
273.17017	7.4
390.17471	2.6
439.18176	2.4
459.18549	2.8
461.20609	3.7
525.82635	2.6
669.31244	4.4
687.32422	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	718.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25132	1.8
58.00098	1.8
59.01400	8.2
61.98840	16.3
75.21310	1.8
78.95928	11.6
83.05051	3.7
104.77067	2.2
123.64721	2.2
140.01186	8.7
169.62619	2.2
209.11885	28.2
237.40747	2.1
279.23328	100.0
292.88239	2.4
324.01904	2.2
392.58606	2.9
399.78638	2.4
412.54819	2.2
439.00745	2.5
602.32837	2.4
686.40247	8.3
718.43073	34.2
735.90344	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	718.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51211	3.3
59.01392	6.7
61.98842	33.7
64.34841	3.0
68.27888	3.0
75.90390	3.2
78.95935	14.9
83.05057	15.0
108.67624	3.6
140.01239	5.8
163.11259	6.8
165.12880	5.0
184.66011	3.1
190.41963	4.0
209.11884	100.0
227.12973	4.5
279.23285	46.5
541.36731	3.7
686.40485	12.0
718.42749	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.3
59.01385	4.3
61.98824	0.2
69.03475	0.3
71.01381	2.8
71.97862	0.2
73.02965	0.8
77.52013	0.2
80.02702	0.9
81.03477	1.2
83.01404	0.4
83.05026	3.8
84.02180	1.0
85.02950	0.8
87.00883	0.8
89.02442	2.3
89.02829	0.1
89.55663	0.2
92.10145	0.3
95.01393	0.3
95.05029	0.4
99.00932	0.2
101.02425	3.6
109.06541	0.2
111.92520	0.2
113.02490	1.6
119.03520	0.8
125.02438	0.3
125.06087	0.4
134.00749	0.2
135.08177	0.3
145.05032	0.2
155.10716	0.2
161.04556	1.3
163.11290	3.5
165.12833	2.7
167.10773	0.3
167.14424	1.1
171.10291	0.3
181.12402	0.3
183.13910	8.3
191.10835	1.0
193.12318	2.3
207.10280	0.3
209.11873	67.2
210.12230	0.4
211.13437	100.0
212.13824	1.4
227.12929	7.4
235.08295	2.5
249.14967	0.3
253.09309	7.2
278.29004	0.2
345.06998	0.2
370.61401	0.2
445.20886	1.3
447.22458	6.9
621.33228	0.9
639.33911	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.3849
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46244	39.6
59.01398	94.6
61.98815	46.5
78.37247	36.2
92.83301	38.8
107.44986	45.9
107.91944	38.5
122.16695	43.3
126.09820	42.0
220.28688	56.0
255.23247	84.0
283.26547	84.6
397.14011	56.6
409.39178	64.4
717.38220	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	718.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
59.47063	0.4
61.31818	0.3
61.98843	100.0
71.04638	0.4
78.95914	0.4
79.36452	0.3
100.38458	0.3
115.58624	0.4
133.43848	0.3
139.24179	0.3
156.72403	0.5
189.62956	0.4
209.11824	1.8
210.12210	0.5
211.13431	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	717.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	0.3
59.01389	4.9
60.29633	0.2
69.03468	0.6
71.01387	3.3
73.02962	0.3
80.02693	0.5
81.03455	0.7
83.01408	0.3
83.05028	4.0
84.02161	0.5
85.02957	0.6
87.00891	0.4
88.49715	0.3
89.02457	2.9
94.93513	0.3
101.02435	3.3
113.02457	1.1
119.03471	0.3
125.06079	0.4
137.11459	0.3
161.04597	0.6
163.11322	3.6
165.12880	1.9
167.14421	0.5
181.12381	0.4
183.13893	8.9
191.10736	0.7
193.12396	2.2
207.10347	0.4
209.11868	73.2
210.12144	0.5
211.13435	100.0
212.13889	0.5
227.12903	7.4
235.08240	2.2
253.09306	6.3
445.21460	1.1
447.22525	6.0
527.18671	0.3
621.32904	0.7
639.33911	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79362	0.1
51.31322	0.1
57.03464	0.1
59.01385	2.1
67.75252	0.1
71.01393	1.1
73.03011	0.2
85.02972	0.2
87.00891	0.3
89.02487	0.7
89.03997	0.2
92.10801	0.2
93.03459	0.2
101.02439	0.3
109.02991	0.3
113.02473	0.7
117.03471	37.1
118.03830	0.2
119.05027	17.0
121.02950	0.4
125.02457	1.1
133.06577	0.3
137.02457	0.2
143.03455	0.2
145.02966	100.0
146.03328	0.9
150.06874	2.6
151.04019	0.2
159.04628	0.2
161.04793	0.2
161.06056	1.4
162.03191	0.2
163.04022	14.1
163.07657	0.2
176.34393	0.2
177.05559	0.3
179.10809	1.1
187.04015	0.7
205.05057	1.3
235.06081	0.3
265.07272	0.7
289.04312	0.2
289.07367	0.8
307.08304	0.8
453.12131	1.0
469.13977	0.3
480.34528	0.2
487.14835	0.6
495.37100	3.0
509.35095	0.2
511.14551	3.7
529.15802	1.8
553.15887	3.1
558.03265	0.2
571.16632	1.5
606.57391	0.2
633.18549	0.3
657.19031	0.3
657.41705	0.2
675.19434	6.3
717.20392	7.7
718.21594	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.2619
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	0.4
59.01385	5.7
63.57813	0.4
71.01404	0.8
72.99309	3.4
85.02959	0.7
87.00875	14.2
88.04052	4.2
91.05550	0.4
96.96021	0.8
103.00365	2.7
107.05022	2.0
110.92504	0.5
115.00404	1.8
119.04992	1.8
125.02469	0.7
127.66466	0.5
130.08745	17.7
131.09059	4.4
132.03026	5.5
133.01437	0.6
133.02919	4.2
134.03745	5.0
135.04530	100.0
136.04924	0.5
149.00928	64.8
151.03969	0.5
161.02417	2.0
162.29836	0.5
163.03999	2.3
167.03500	0.6
172.09807	12.1
173.10153	3.6
177.01956	0.6
179.03513	97.8
179.88611	0.4
180.03860	0.6
195.03009	2.7
250.07277	1.8
251.07704	0.7
273.60565	0.5
305.19067	0.5
311.04190	11.6
311.07523	0.9
338.06284	0.6
446.99454	0.5
500.11584	0.7
630.44354	0.6
714.73987	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.1898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92851	0.2
59.01388	1.7
62.42080	0.3
69.03477	0.3
71.01395	1.8
72.24288	0.3
77.03979	0.5
83.01389	0.3
84.14046	0.3
85.02968	0.3
87.00848	0.3
89.02438	0.5
92.65921	0.3
93.03475	1.2
95.05031	0.3
97.02953	3.4
100.38264	0.3
101.02445	0.3
108.02186	0.7
109.02990	0.3
113.02469	1.0
117.03502	0.4
121.02950	5.9
123.04542	0.7
125.02448	1.4
133.55144	0.3
134.03731	2.1
135.04550	0.4
137.02446	13.9
139.04024	11.3
149.06067	0.4
151.00523	0.3
152.01190	0.5
163.00426	2.6
163.04016	1.1
164.01178	1.7
165.01942	100.0
166.02245	0.5
167.03522	2.8
169.01440	0.3
177.01880	0.5
178.99905	0.3
183.03000	0.7
193.05051	2.1
207.03030	1.8
209.00990	3.5
215.03354	0.3
227.03735	0.3
237.04216	0.3
255.03088	0.3
300.02866	1.6
311.07834	1.1
315.05170	7.8
316.05582	0.3
317.02979	0.4
327.07230	7.0
329.08783	0.6
345.08316	9.5
365.53018	0.3
369.08521	0.4
477.10489	19.5
478.10190	0.5
479.08328	0.6
495.11774	1.4
499.02713	0.3
519.11237	0.5
583.70325	0.3
619.40277	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.13589	0.6
53.62824	0.7
55.01897	0.8
55.88785	0.6
59.01400	4.6
63.36102	0.7
66.73513	0.8
69.03450	1.0
71.01385	1.9
71.05033	0.7
73.37176	0.7
77.49249	0.8
80.02705	1.3
83.05025	5.4
85.03014	0.7
89.02451	1.2
101.02440	1.7
116.63786	0.9
125.02499	1.2
125.43990	0.7
163.11278	4.3
165.12810	3.1
181.12335	1.4
191.10736	3.5
209.11876	100.0
211.42261	0.8
223.09575	1.1
227.12981	9.3
253.09261	4.7
273.17142	3.3
312.12302	0.8
445.20883	2.0
493.35583	2.7
508.87625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	0.5
57.03462	2.4
57.36589	0.4
59.01391	10.2
60.80096	0.4
61.62296	0.4
70.70917	0.4
71.01387	10.9
72.99305	3.4
73.02963	0.4
75.00877	11.8
75.29803	0.4
78.64809	0.5
81.03446	0.6
83.01395	1.0
83.05044	2.3
84.02176	0.6
85.02954	12.9
87.00883	3.9
89.02460	2.8
95.01421	3.0
96.26994	0.4
99.00897	7.1
101.49870	0.5
103.00384	1.7
110.94284	0.5
113.02456	12.8
115.00361	0.7
117.01945	2.3
157.01381	0.8
163.11307	2.3
165.12808	2.0
175.02473	1.9
189.78531	0.4
199.98248	0.5
209.11874	26.4
227.12943	2.6
249.06148	1.9
255.23347	71.2
256.23846	0.8
268.90689	0.5
477.20374	0.6
505.30624	1.7
531.30664	0.5
715.42944	100.0
716.43274	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	716.3719
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67253	0.3
59.01389	3.5
61.98832	100.0
71.01382	2.2
83.00832	0.4
89.02451	1.8
92.10043	0.6
97.23929	0.4
101.02434	0.8
119.03545	0.5
125.02476	0.5
255.23288	3.2
256.23550	2.8
257.23984	0.8
277.21597	0.4
334.47696	0.4
344.11414	0.4
353.35287	0.4
363.30988	0.5
397.13373	0.8
398.13791	2.4
399.13965	2.6
400.14340	1.6
417.15182	0.9
521.19977	0.5
526.05695	0.5
731.69287	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92301	0.3
56.12680	0.4
59.01390	8.6
61.37484	0.4
69.03455	0.4
70.31830	0.3
70.81725	0.3
71.01394	2.1
73.02972	0.5
80.02689	0.4
81.03486	0.6
83.05044	3.4
83.80339	0.3
84.02199	1.0
87.00931	0.5
89.02469	2.2
97.02995	0.5
101.02448	2.4
109.06606	2.7
113.02435	0.7
125.02415	0.4
125.06129	0.4
125.09749	0.7
135.08168	0.6
147.11771	0.4
161.04492	0.7
161.09703	0.5
163.11296	5.4
165.12865	1.7
183.13921	2.2
187.09650	0.7
191.10698	0.4
207.10320	7.4
209.11871	100.0
210.11938	0.4
211.13432	15.9
225.11400	4.1
227.12935	5.8
235.08182	0.9
250.77112	0.4
253.09358	4.9
383.22366	1.5
401.23505	1.0
419.24542	0.8
445.20972	2.4
637.32434	3.2
655.33368	3.6
715.38080	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	715.3564
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	25.4
61.97543	2.4
61.98838	5.0
62.47155	2.6
65.36206	2.4
71.01384	4.5
73.68803	2.1
77.30846	2.4
83.05036	3.3
89.02476	2.8
97.02937	5.6
97.51021	2.5
99.45676	2.9
101.02458	3.4
109.06577	18.5
125.09718	11.2
136.49509	3.1
163.11278	15.4
183.13884	10.2
187.09782	3.6
207.10281	50.4
208.68300	2.5
209.11810	5.3
211.13420	100.0
225.11418	20.7
253.09145	4.3
257.69495	3.2
373.23666	3.5
401.23318	4.5
419.24210	3.3
461.20340	2.6
637.32593	21.5
655.33258	27.1
715.38245	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	713.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	2.0
57.03465	0.5
57.94066	0.2
58.00610	0.7
59.01385	41.1
61.98827	0.6
68.99819	0.4
69.03466	2.2
71.01379	30.0
72.99327	2.2
73.02941	6.3
75.00876	0.5
75.80382	0.3
78.76659	0.3
81.03465	1.6
83.01398	3.5
83.39246	0.3
85.02954	7.8
87.00874	5.7
89.02444	29.4
91.04029	0.6
95.01398	1.8
97.02957	5.1
99.00894	2.3
99.04518	0.3
101.02441	20.8
111.00904	0.5
111.04529	0.6
112.01704	0.3
113.02454	11.5
115.04029	0.4
119.03490	7.6
121.02965	0.4
124.01594	0.4
125.02431	8.8
126.06351	0.3
126.22115	0.3
127.04012	0.6
131.03491	0.6
133.05098	1.2
137.02477	0.3
137.06120	0.3
139.03990	0.4
141.01967	0.4
143.03537	3.1
149.04533	0.4
161.04579	3.3
169.05048	0.4
179.05646	3.0
179.52316	0.3
184.79626	0.3
185.04593	0.6
221.06648	2.0
235.08229	8.0
250.29636	0.3
253.09354	1.8
255.23326	100.0
256.23792	0.6
263.07700	0.4
287.07803	2.0
305.08771	2.7
314.88129	0.3
323.09717	0.5
397.13568	82.7
398.14157	0.4
415.14664	23.5
653.37469	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	713.3977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07061	1.3
55.01891	1.8
56.54445	0.9
58.00592	1.3
58.84286	1.0
59.01388	52.0
64.35272	1.5
71.01390	31.1
71.41804	1.2
73.02935	5.1
83.01390	2.7
85.02965	9.5
87.00890	5.4
89.02448	31.0
95.01398	1.8
97.02971	4.9
101.02450	25.4
113.02451	10.9
116.92800	1.2
119.03512	9.6
125.02453	6.6
143.03508	2.9
161.04594	2.0
184.64078	1.3
212.62027	1.2
217.07162	1.3
221.06560	1.8
235.08231	9.8
253.08929	1.4
255.23341	100.0
261.11139	1.3
287.07571	1.4
305.08600	1.5
329.56128	1.4
349.70541	1.3
397.13571	85.7
415.14706	26.0
425.46954	1.2
443.38470	1.4
653.37848	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	713.4129
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96636	2.3
55.87481	2.4
59.01399	12.2
71.01398	18.4
75.00892	13.4
85.02973	18.5
87.00876	4.7
88.13744	2.8
91.86777	2.7
95.01424	3.0
97.03038	2.5
99.00896	15.2
113.02481	12.8
115.26134	3.0
135.35745	2.7
181.12350	4.1
195.55742	3.0
207.10278	15.7
225.11409	19.7
255.23344	80.4
270.76031	3.0
297.77191	3.2
302.66037	2.9
311.60785	3.2
649.27136	4.1
669.42548	5.2
713.41400	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.4748
Annotation	(2'S)-Deoxymyxol 2'-alpha-L-fucoside
Peak:m/z	Relative Intensity
59.01394	0.4
83.05027	0.4
99.92619	0.4
99.99362	0.3
103.88920	0.4
119.04993	0.4
125.02443	0.6
241.48993	0.3
267.65472	0.3
366.43222	0.3
451.32666	0.4
516.92908	0.4
559.60303	0.4
677.49878	2.9
713.47485	100.0
714.48102	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	714.2048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03447	3.1
59.01398	1.5
65.00324	18.4
83.01380	9.4
107.01389	33.0
109.02950	1.0
123.04520	9.8
124.01667	1.7
125.02451	34.0
128.25484	0.7
133.02983	3.6
135.04529	1.7
147.04555	1.1
149.02457	1.7
150.03230	24.4
151.00377	100.0
151.03998	25.6
152.01149	23.1
153.01974	3.0
164.07126	0.8
169.01434	4.3
175.03996	7.0
176.01144	1.0
177.01901	5.7
178.99857	23.9
189.05545	0.9
199.04039	5.8
201.01996	1.1
215.03580	1.3
217.05048	5.4
241.05081	3.9
243.03128	0.7
257.04584	3.4
259.06113	3.0
271.73724	0.8
275.05469	0.9
285.04068	63.7
297.09882	1.2
302.04382	1.5
303.05151	24.3
431.09802	1.0
449.10986	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	711.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	14.5
75.00748	12.0
75.35703	11.2
76.57716	16.0
109.11239	12.6
159.21194	12.7
159.57779	14.6
162.75870	12.0
182.11240	12.7
197.11841	65.2
209.11900	100.0
211.13380	63.3
305.69815	13.0
344.88071	15.9
568.89252	13.6
597.37787	13.4
645.57983	13.7
711.33954	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01371	3.9
83.05087	4.6
91.33456	3.9
92.66134	3.9
122.95786	3.9
157.58276	3.6
175.65881	3.9
183.13907	5.9
197.11847	74.9
209.11882	100.0
211.13451	8.0
227.12900	22.5
253.09244	7.4
329.49988	4.2
433.20697	8.3
437.76566	4.1
473.21176	3.6
554.42889	5.2
607.31281	6.8
625.32709	5.2
639.16809	4.8
646.20367	4.0
667.80963	4.2
673.35498	4.5
711.33759	55.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.152
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87940	0.7
55.78973	0.7
57.03456	11.2
59.01381	11.7
67.18388	0.8
72.78672	0.8
81.03470	4.0
83.01376	7.4
85.06615	1.8
93.03478	2.0
95.01369	1.2
95.05009	2.2
97.02928	6.3
99.04504	0.9
99.76251	0.8
109.02957	26.8
111.00873	1.1
113.06094	3.4
121.02974	4.1
123.00936	1.5
123.04521	15.7
125.02446	100.0
131.07140	23.3
133.02991	4.7
135.04529	3.5
137.02452	25.7
138.03291	0.9
139.04050	8.9
145.02948	8.5
146.03784	1.5
149.02411	6.4
150.03151	0.9
150.41740	0.9
151.04028	14.0
159.04509	6.2
161.02444	15.9
161.06071	9.5
162.03168	1.5
163.00430	1.5
163.04010	4.1
164.01158	12.4
165.01964	11.3
167.03477	1.0
168.35843	0.9
169.01431	18.7
173.06026	1.5
173.08163	6.9
175.04027	9.1
175.07574	1.8
177.01944	11.1
177.05553	0.9
179.03517	6.2
183.04451	1.3
185.06090	5.3
187.03972	7.8
188.04816	4.3
193.01431	1.5
199.03992	1.2
201.05656	1.7
202.06371	1.8
203.03511	1.3
203.07143	15.5
205.01439	4.2
205.05029	8.5
217.04987	2.2
221.08258	3.6
225.05591	1.5
227.03569	1.1
227.07042	6.7
228.04341	1.0
229.05153	6.5
230.05898	1.1
243.03014	4.1
243.06767	1.3
245.04535	2.1
245.08191	22.2
253.05173	4.8
255.03044	8.3
256.03802	1.5
269.04474	2.0
271.06140	17.6
273.07706	4.0
281.04520	1.5
285.04089	3.8
285.07715	1.1
287.05682	3.9
289.07214	71.5
301.07840	0.9
345.08139	1.7
350.87439	1.1
389.06842	2.1
406.90561	1.0
407.07755	41.1
425.08871	6.3
435.10727	6.9
441.08243	7.9
451.10291	4.3
507.00006	1.1
543.13574	1.1
559.11224	1.0
561.13995	7.2
577.13324	5.8
587.12311	1.8
651.75391	1.0
713.15240	2.0
713.36243	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.3539
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	30.8
61.60181	17.8
61.98855	17.8
64.34748	18.6
69.96827	16.7
92.13460	21.4
100.55517	19.5
200.09261	19.7
237.41844	18.8
242.71277	25.2
279.23425	87.2
397.13806	67.1
422.19711	23.4
713.35443	100.0
740.32269	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	709.4185
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03618	0.9
51.42587	0.9
52.54291	1.0
57.03470	1.2
59.01391	7.5
61.98817	1.0
71.01396	4.3
73.02967	1.6
78.95985	1.0
85.02971	1.8
85.13563	1.4
86.98531	1.0
89.02476	2.6
92.77451	1.4
97.06597	7.2
101.02461	2.3
113.02448	2.1
151.11292	18.1
153.14484	1.2
161.04517	1.6
168.16713	1.3
169.12364	59.1
212.35400	1.4
213.11349	7.2
226.92374	1.0
253.09445	1.8
277.21786	77.9
302.00580	1.1
442.45569	1.3
709.41815	100.0
710.42078	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	709.4192
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	7.8
69.02184	1.6
71.01392	3.7
78.94047	1.8
78.95924	2.1
80.46957	1.7
83.74294	1.6
93.70512	1.5
97.06591	3.1
101.02396	2.5
116.92850	1.9
118.09786	1.9
151.11281	13.4
152.99634	2.2
165.97356	1.7
169.12357	100.0
213.11372	11.8
277.21762	23.3
373.97922	2.0
449.20258	3.5
709.41681	75.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3378
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66988	2.2
54.82714	2.2
58.00601	2.5
59.01384	38.4
71.01395	22.3
73.02958	4.4
84.88160	2.2
85.02953	2.9
87.00891	3.2
89.02439	26.3
92.10204	2.8
97.02956	2.7
101.02439	22.2
113.02430	5.3
119.03504	4.0
125.02433	4.2
147.39041	2.2
174.29604	2.4
195.04877	3.0
226.04225	2.3
235.08250	4.3
253.09193	2.4
253.21786	46.4
277.21786	45.6
397.13562	100.0
415.14603	27.3
523.62494	2.6
610.96924	2.7
675.35541	5.2
711.33704	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	709.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69178	9.7
59.01389	12.9
61.98832	12.3
63.63577	9.7
74.09267	11.4
95.71988	14.2
105.23510	11.8
106.82847	11.8
111.63960	11.5
116.92883	51.9
183.13919	47.2
211.13451	100.0
336.16037	12.6
642.12610	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	709.322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12014	0.8
55.92212	0.9
58.54271	0.7
59.01389	13.2
59.29491	0.8
60.70866	0.7
61.98839	0.9
63.27063	0.8
69.03467	1.2
71.01385	9.4
72.99323	1.0
73.02965	1.5
81.03457	1.2
83.05026	4.2
85.02986	1.9
87.00900	1.3
89.02461	5.0
95.05037	1.2
97.02970	5.5
99.00922	1.1
101.02452	8.4
109.06595	21.8
110.03765	1.3
113.02483	2.2
124.95369	1.0
125.09859	0.9
135.08167	1.6
136.82100	0.9
142.02707	1.1
145.05121	1.1
161.04559	2.0
161.09721	1.6
163.11279	12.4
165.12839	3.7
181.12393	4.5
183.13927	27.1
185.11864	1.9
188.39917	0.9
189.09178	1.1
193.12404	1.8
199.09903	1.2
207.08302	1.6
207.10303	54.4
209.11877	13.7
211.13441	100.0
225.11346	28.0
227.12868	1.8
235.08235	4.1
253.09358	12.4
366.02194	1.1
373.23941	4.6
382.02628	0.9
383.22354	1.9
391.25052	4.1
401.23254	9.0
419.24457	2.3
443.19247	1.9
461.20459	8.3
609.32941	1.3
637.32330	12.2
655.33521	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	709.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	11.1
59.62475	0.9
61.98837	2.0
69.03452	1.3
70.60703	0.8
71.01376	10.7
73.02973	1.8
78.31256	0.8
81.03443	1.7
83.05039	1.3
83.75351	0.9
85.02972	1.9
89.02459	5.0
92.10133	2.0
97.02978	2.2
101.02445	4.6
106.04269	1.0
109.06599	18.8
113.02457	4.6
121.06560	0.9
130.47621	0.9
135.08156	2.0
139.05310	0.8
142.02769	1.1
145.26216	0.8
158.92805	0.9
161.04619	1.3
161.09691	1.2
163.11301	12.5
171.10269	1.2
181.12350	3.9
183.13908	11.4
193.12286	1.6
195.75446	0.9
198.38806	0.9
199.09790	1.1
207.08342	1.7
207.10298	57.8
209.11844	6.7
211.13432	100.0
225.11386	28.7
227.12941	2.1
235.08321	4.1
253.09215	8.7
272.15457	1.0
373.23538	1.8
383.22202	1.2
391.24994	1.8
401.23303	6.1
419.24524	1.0
461.20279	11.9
473.13660	1.1
637.22693	1.0
637.32300	7.0
655.33417	14.2
656.34186	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	709.3231
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.3
58.51244	1.2
59.01400	8.1
61.98856	1.6
64.27008	1.4
71.01410	3.3
78.95924	6.9
81.19112	1.6
83.01387	2.0
83.05054	6.0
92.43924	1.6
93.03481	3.7
97.02969	2.1
99.64287	1.8
101.02507	2.5
101.46591	1.6
109.02959	7.2
123.04549	2.8
125.02454	38.6
126.02900	1.7
137.02449	7.3
139.04106	1.6
145.03058	2.1
149.01036	1.6
151.04033	3.2
152.99582	5.5
165.13014	2.2
169.01437	29.6
171.08928	3.4
171.10281	47.9
193.01408	2.1
197.11807	2.4
201.11407	2.6
203.07306	1.7
207.10236	2.2
209.11870	100.0
210.12225	1.5
218.06058	1.6
225.11571	2.4
227.12968	21.7
235.08070	3.6
253.09296	8.4
253.77649	1.6
289.07104	12.9
295.05786	1.7
407.19656	2.5
445.21039	3.4
463.73535	2.0
548.06763	2.1
557.18439	2.0
637.32233	2.4
655.33374	3.5
680.76416	1.9
709.31952	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	707.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76827	0.6
55.01903	1.0
57.03460	1.1
58.00598	0.8
59.01386	31.3
61.98848	0.9
69.03465	1.4
71.01383	19.4
72.99323	1.3
73.02963	1.5
75.00903	0.9
80.96542	3.5
81.03480	0.9
83.01404	2.6
83.05058	1.5
85.02948	4.9
87.00887	5.5
88.98833	3.0
89.02445	19.1
97.02963	3.1
99.00864	0.7
101.02451	14.9
107.52077	0.6
111.08176	1.0
113.02425	6.5
113.09756	3.2
115.07645	0.7
117.44445	0.8
119.03500	5.1
125.02471	5.5
125.06033	0.9
135.08231	0.8
143.03609	1.6
146.40953	0.7
151.00331	0.7
161.04547	1.1
163.11310	1.6
165.01855	0.6
165.12839	4.1
167.14407	1.5
169.12357	1.0
171.10269	1.0
178.99837	1.3
179.05629	3.7
181.12366	4.5
183.13857	1.5
193.12335	1.3
195.13934	2.9
197.11877	7.5
207.10246	1.3
209.11874	18.9
209.23599	0.8
210.12206	6.9
211.13348	4.1
221.15358	2.2
225.00723	0.7
225.11157	1.1
227.12990	1.5
228.13382	1.2
235.08298	2.6
239.20735	0.7
240.13751	0.9
241.14508	0.8
247.20604	5.1
253.09152	1.6
263.20175	0.8
273.18607	3.1
281.21362	1.2
291.19711	40.7
309.20789	100.0
397.13657	15.5
415.14703	18.2
511.87305	0.7
523.86047	0.7
525.73669	0.7
642.36694	0.8
671.32996	1.6
707.35767	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	707.3509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55925	0.6
53.59022	0.7
57.03463	0.9
58.00637	1.3
59.01393	15.5
61.98835	0.7
65.05273	0.7
68.34816	0.7
69.03479	0.9
71.01393	88.5
72.99324	0.9
73.02973	3.0
77.89803	0.7
80.02692	1.5
80.28775	0.6
81.03474	3.4
82.92374	0.6
83.01415	3.4
83.05038	5.9
84.02178	1.1
84.74157	0.7
85.02977	4.0
87.00900	3.5
87.39292	0.6
89.02473	5.2
92.10127	1.0
92.66180	0.8
95.01398	0.9
95.05038	1.5
97.02968	4.4
98.38035	0.7
101.02441	7.4
105.20316	0.7
107.05051	0.9
109.02974	0.8
109.06604	11.2
113.02500	3.3
121.06597	1.0
125.02480	3.5
125.09739	4.0
127.11305	4.2
134.03786	0.9
135.08188	4.0
136.05287	0.8
137.02501	0.9
142.02698	0.9
143.06192	0.8
144.36292	0.8
147.11937	0.8
149.00911	1.6
150.03470	0.7
151.00409	3.0
155.10803	1.6
156.08879	0.8
161.04575	2.7
163.11314	15.1
163.12543	1.2
165.09195	1.2
165.12892	2.8
171.10289	47.3
178.99916	0.8
179.05531	0.8
179.10786	0.8
181.12331	3.2
185.11870	1.5
189.09314	1.1
191.10840	0.9
199.09814	8.0
201.09511	1.5
201.11360	41.2
207.10306	25.8
209.11868	100.0
210.12355	1.0
225.11362	22.9
227.12865	8.9
235.08316	3.9
243.12381	3.3
253.09303	8.9
399.21738	1.5
417.23196	1.0
461.20255	6.4
527.12500	1.0
529.94000	0.8
597.44836	0.9
635.30731	1.2
645.30969	1.7
671.32916	3.0
689.32922	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3511
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03890	1.2
53.11980	1.0
53.46064	1.0
55.01903	1.4
57.03451	2.1
58.00606	1.5
59.01381	18.9
61.98844	4.9
71.01382	94.4
72.99323	1.5
73.02969	5.3
75.85305	1.1
80.02705	1.6
81.03452	1.9
83.01408	1.7
83.05042	7.1
84.02174	1.6
85.02973	2.7
87.00854	4.3
89.02448	7.1
95.05040	1.6
97.02958	4.8
101.02456	7.8
109.06600	14.9
110.03748	1.9
113.02442	3.0
125.02440	2.6
125.09740	6.5
127.11302	2.8
137.09700	1.5
149.00916	2.0
151.00423	1.7
155.10818	2.6
157.76295	1.2
161.09802	2.1
163.11317	12.5
165.09195	1.9
165.12813	3.1
169.01518	1.3
171.10298	33.5
181.12323	5.5
185.11871	2.7
189.09166	1.7
191.10852	1.6
191.63014	1.3
197.11766	1.3
199.09798	5.5
199.13417	1.8
201.11340	62.5
201.13176	2.4
207.10297	38.9
209.11865	100.0
210.12285	2.5
221.12241	1.3
225.11328	30.4
227.12947	10.3
253.09373	10.4
309.20670	2.4
343.64124	1.5
461.20389	7.5
645.31287	5.3
671.32971	5.4
707.35199	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	707.3065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45131	2.6
58.24134	2.4
59.01390	20.8
61.98841	6.7
71.01393	14.4
71.12259	3.6
83.05005	4.6
83.06571	2.6
89.02435	4.5
92.10777	10.2
99.00867	3.2
101.02465	7.2
109.06590	4.1
113.02493	4.2
114.13586	2.5
125.02426	5.9
137.02501	4.5
146.61826	3.1
157.96732	2.9
158.09816	2.9
163.11282	7.2
169.22607	3.1
171.10237	3.8
181.12389	3.5
183.13933	7.1
185.02060	3.0
188.77748	3.0
197.11890	4.3
198.22121	2.6
207.10309	33.8
209.11873	100.0
210.12225	3.8
225.11383	51.9
227.12888	15.1
253.09309	14.8
291.19635	4.6
309.20767	18.4
461.20313	31.6
563.73218	3.8
635.30804	17.6
653.32306	23.8
671.32935	45.4
707.30341	67.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	707.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30659	0.9
51.71349	0.8
54.75456	1.1
57.03479	2.4
59.01389	29.3
61.98837	1.0
63.99397	1.1
66.67023	1.1
69.03463	1.3
71.01382	21.1
72.84931	0.9
72.99326	1.4
73.02953	4.4
73.53207	1.2
75.83434	1.3
78.95939	1.2
81.03445	1.9
83.01431	1.8
85.02973	5.5
87.00893	5.4
89.02444	16.0
94.49455	1.1
95.01430	1.3
97.02973	4.4
101.02451	14.0
113.02471	7.6
119.03536	6.6
119.05058	2.3
125.02457	7.2
125.09750	2.2
143.03497	1.3
144.51207	1.3
149.00952	2.8
151.00320	1.2
163.11320	2.6
165.12901	8.6
171.10234	3.7
179.05646	2.4
179.14447	2.8
181.12430	2.6
183.13974	1.4
185.11758	1.3
186.25995	1.2
197.11765	1.6
207.10390	1.7
209.11844	15.9
223.13387	2.4
225.11432	2.2
231.29376	1.3
235.08237	1.9
243.21489	1.1
247.20671	9.3
273.18738	2.1
291.19724	80.0
300.02637	2.0
307.80835	1.2
309.20779	100.0
397.13580	19.5
415.14658	24.2
472.64749	1.2
556.05231	1.2
678.27277	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	1.0
60.08941	0.1
60.26636	0.1
61.98840	100.0
71.01395	1.0
73.02939	0.2
80.02691	0.1
81.03501	0.2
83.05045	1.1
84.02173	0.2
85.02966	0.2
85.80347	0.1
87.00893	0.2
89.01967	0.1
89.02469	0.8
92.10791	0.3
97.06601	0.1
97.29442	0.1
101.02439	0.7
102.68535	0.1
111.08108	0.1
113.02460	0.2
136.69037	0.2
161.04521	0.2
162.33076	0.1
163.11322	0.8
164.11618	0.2
165.12866	1.5
166.13255	0.2
178.30553	0.2
183.13913	8.3
184.14262	3.3
197.11839	0.8
198.12184	0.5
199.12366	0.2
207.10208	0.1
209.11871	14.4
210.12221	5.5
211.12440	0.6
227.12921	1.3
228.13254	0.2
235.08177	0.2
253.09279	0.7
379.22910	0.2
527.89642	0.2
578.01935	0.1
656.33875	0.2
673.34314	2.8
674.34900	8.8
706.37744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97688	2.2
59.01385	30.0
61.98835	92.9
71.01387	72.1
74.01783	2.6
77.32694	2.7
78.95933	11.2
83.05061	4.5
85.02972	4.5
85.82478	2.2
87.00919	2.1
89.02469	3.8
92.10067	3.2
97.02970	3.3
97.06653	2.9
101.02477	9.7
109.06585	19.6
113.02441	3.7
116.92884	8.9
121.02959	3.1
125.02492	2.8
142.02776	3.8
152.99617	3.6
163.11258	20.8
167.14505	2.9
171.10286	4.6
181.12421	5.9
183.13921	15.0
197.11862	46.2
199.13434	9.6
201.11368	11.7
207.10309	50.3
209.11888	32.4
211.13438	100.0
211.15367	4.6
225.11343	35.0
227.12955	15.8
253.09418	12.4
269.61646	2.8
283.29492	2.7
401.23306	4.9
461.20236	11.1
655.33405	5.7
673.33435	4.4
705.35736	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	705.3714
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61243	0.1
55.01897	0.2
59.01379	2.7
65.40895	0.1
67.14898	0.1
69.21206	0.2
71.01388	1.6
72.23942	0.1
73.02954	0.2
80.02682	1.4
80.72755	0.2
81.03456	1.2
83.05035	4.8
84.02149	1.2
85.02963	0.4
87.00899	0.2
89.02448	1.8
93.34325	0.1
95.05039	1.0
101.02454	1.7
113.02477	0.8
119.03468	0.6
121.71246	0.2
125.02479	0.2
125.06066	0.4
132.73517	0.2
135.08159	0.7
147.11816	0.3
149.09694	0.2
156.96118	0.2
161.04559	1.0
163.11305	5.1
165.12846	3.1
171.10295	0.8
181.12344	0.9
191.10803	0.9
192.09247	0.2
207.10181	0.3
209.11867	100.0
210.12201	0.9
227.10674	0.4
227.12923	11.1
227.92520	0.2
235.08260	1.3
241.54997	0.2
253.09325	5.3
317.64438	0.2
445.21060	1.4
579.36804	0.2
595.92883	0.2
617.00183	0.2
630.78699	0.2
637.32874	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91771	0.4
53.00314	0.8
54.07229	0.5
55.01880	2.4
57.03445	2.1
58.00603	1.2
59.01382	16.3
68.99821	0.6
71.01382	100.0
72.99316	0.6
73.02943	3.9
74.47159	0.4
77.34115	0.5
78.05849	0.5
80.02681	2.0
81.03449	4.8
83.01384	1.9
83.05015	5.1
84.02186	0.7
84.46786	0.4
85.02958	3.8
87.00866	6.9
89.02434	4.0
95.01395	2.1
95.05032	1.9
97.02959	5.9
97.06581	2.5
99.00843	1.9
101.02436	5.1
103.39155	0.4
106.43611	0.5
107.05007	0.7
109.02954	0.7
109.05878	0.9
109.06596	19.8
110.03715	3.0
111.04491	2.7
113.02438	2.4
121.06580	1.0
123.08150	1.1
125.09734	6.4
127.11264	2.7
135.08163	4.7
136.05289	1.0
137.09734	0.5
142.02682	2.8
151.07574	0.5
151.11227	0.7
154.42825	0.6
155.10803	2.1
161.04610	0.6
161.09711	4.1
163.11290	13.0
165.09183	0.7
165.12801	0.5
171.10269	21.5
179.10814	4.1
181.12320	4.8
185.11795	3.1
187.09721	1.1
197.11870	0.9
199.09673	1.9
199.13416	0.5
201.11375	7.4
205.08693	4.9
207.10294	43.9
209.11867	28.3
213.11543	0.7
215.12904	0.8
221.11685	0.6
223.08118	0.5
223.09819	8.3
225.09193	0.9
225.11362	24.5
226.11816	0.5
227.12901	1.1
241.10768	0.6
243.12515	0.7
253.09280	4.4
273.99454	0.5
299.15073	0.6
415.21179	0.8
433.80264	0.5
461.20169	3.2
651.30188	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3351
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27383	1.3
50.36532	1.9
52.08017	1.8
55.01889	17.9
57.03462	3.5
59.01395	26.5
61.98854	8.1
64.25559	1.8
69.03481	2.9
71.01386	42.3
71.05045	4.0
73.02957	3.6
76.05713	1.6
76.46459	1.8
78.18035	2.1
78.54253	1.5
81.03493	3.4
83.05051	4.2
84.11387	2.0
85.02958	4.0
87.00890	8.8
89.02460	11.4
91.67993	1.8
95.05045	2.4
97.02967	9.1
97.06612	3.8
97.93112	1.8
99.00880	50.5
101.02462	12.2
109.06581	17.2
113.02448	4.0
119.03528	2.5
123.08170	2.4
125.09725	12.2
127.11278	3.7
133.60622	2.4
135.08209	4.2
151.11320	2.5
153.12894	2.0
163.11299	19.2
165.12903	2.1
167.10825	2.0
169.12347	18.3
171.10281	35.3
179.10783	2.1
181.12404	21.0
185.11868	10.6
195.10109	2.8
197.11859	36.9
199.13428	14.1
201.11270	2.4
207.10301	63.4
209.11861	100.0
213.11369	7.6
225.11334	60.7
227.12952	20.3
235.08203	2.6
243.12299	20.6
253.09341	11.0
372.74054	1.9
461.20407	11.8
477.19879	3.8
479.21396	14.5
484.35858	1.9
486.04028	1.9
608.40985	2.1
669.31702	6.8
687.32471	36.7
705.33643	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73631	3.0
56.99317	2.8
59.01390	20.2
61.98831	100.0
65.65564	3.0
71.01386	48.3
73.65376	2.9
73.87764	3.2
78.95883	6.1
83.05039	5.9
84.02207	6.0
85.02969	3.8
89.02464	6.4
89.16499	2.9
92.10870	6.5
101.02456	8.6
109.06586	13.4
113.02382	3.6
163.11298	14.7
170.71375	4.2
171.10353	7.1
183.13911	4.5
197.11853	16.7
201.08003	4.0
207.10329	34.5
209.11900	90.1
211.13474	60.9
223.13428	87.3
225.09319	3.9
225.11354	24.1
227.12941	31.3
235.08185	7.9
253.09300	13.9
459.22598	32.9
553.38428	5.0
651.33752	6.4
655.33698	7.1
664.53101	4.0
669.35681	5.0
705.32867	79.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65007	2.6
59.01403	21.8
61.00346	2.8
61.98836	87.7
65.04317	2.7
71.01393	100.0
78.95919	4.8
81.03455	4.1
83.05042	13.0
84.57256	3.4
97.03000	5.4
97.06644	4.4
101.02500	5.9
108.70515	3.2
109.06612	21.5
135.08145	4.1
152.99596	4.0
163.11320	18.8
171.10251	14.8
201.11298	6.5
205.08871	3.3
207.10272	40.0
209.11909	28.4
223.09848	7.6
225.11426	27.1
253.09303	5.7
273.71741	3.4
493.66968	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	705.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08847	4.0
57.21076	4.1
59.01395	38.3
60.21552	3.9
61.98854	25.1
71.01385	66.9
72.64459	4.3
73.45586	4.6
75.63110	4.7
78.95911	19.2
82.19738	4.3
83.61754	4.0
85.02967	5.0
85.67628	5.0
87.00890	6.7
89.02444	4.6
92.10785	15.5
97.02960	6.7
101.02440	9.2
109.06612	32.6
113.02447	5.9
121.06609	5.6
127.12219	5.7
133.77380	5.4
135.08209	5.1
152.99602	6.3
163.11331	27.3
171.10338	20.9
172.78413	4.9
181.12248	6.3
184.01711	5.4
185.11824	7.8
190.43175	4.5
197.11862	20.1
207.10313	100.0
209.11868	47.5
211.13431	50.8
223.09842	5.8
225.11330	46.8
226.81342	5.8
227.12950	5.6
253.09311	11.9
309.43292	6.7
415.21097	6.0
461.20413	18.8
607.27863	10.9
625.28815	22.4
633.29028	22.6
636.51685	5.2
651.30475	70.5
655.33698	6.9
669.31000	53.0
705.28082	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	705.2051
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.4
57.03452	0.3
58.20298	0.2
59.01384	3.5
60.18363	0.2
64.34952	0.3
70.35014	0.2
71.01376	3.6
71.90583	0.2
73.02959	1.4
81.03478	0.5
83.01403	1.3
83.05034	0.3
83.32990	0.2
85.02966	1.5
87.00877	0.4
89.02459	1.7
93.03445	0.3
95.01396	0.5
97.02958	0.3
99.00877	0.3
101.02436	2.3
106.04250	5.3
107.01370	0.3
108.02190	1.9
109.02965	2.1
111.04517	0.6
113.02468	1.9
117.03404	0.3
121.02956	1.2
122.03745	0.3
125.02450	1.6
135.04529	0.5
138.03267	0.7
145.03023	0.3
147.04536	3.1
149.02432	0.5
151.00346	0.6
151.03995	0.6
161.04549	1.9
171.10239	0.4
197.11891	0.4
209.11856	2.7
229.03484	0.5
238.06372	0.3
253.08720	100.0
254.09146	0.6
271.09863	0.6
285.04065	1.1
289.06992	0.4
397.12970	3.3
415.14084	12.3
439.14102	0.5
457.14825	0.5
483.13086	5.3
567.15076	0.5
577.19501	1.2
645.18530	9.0
669.40674	0.7
687.39258	0.6
705.39917	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02304	0.9
54.43614	1.0
55.01896	0.9
57.03448	1.1
59.01390	13.9
61.90993	1.0
63.52237	0.8
71.01402	5.5
71.05067	1.0
73.02946	1.2
74.92094	1.0
77.67696	0.9
80.02692	2.4
81.03473	2.6
83.05011	10.0
83.65374	1.2
85.02943	1.5
87.00900	1.7
89.02453	2.3
95.05042	1.4
97.02960	6.5
101.02444	3.9
109.06608	22.0
113.02458	2.0
121.06568	1.7
125.09740	2.2
128.08871	1.0
135.08150	5.6
136.05299	1.3
142.02672	1.3
163.11299	19.5
165.12833	2.3
169.12279	2.3
171.10298	1.8
181.12320	6.9
185.11819	1.2
197.11855	10.8
199.13487	1.0
207.10283	61.2
209.11856	100.0
221.11688	1.3
225.11354	29.8
227.12923	14.3
235.08134	1.5
253.09276	7.3
255.03091	1.9
260.30673	1.4
283.41699	1.2
284.03482	1.2
300.42154	1.1
342.59933	1.2
399.21780	4.6
417.22830	4.8
433.21094	1.2
443.19379	2.5
445.21045	1.5
461.20291	10.7
493.29391	1.2
635.30682	15.0
640.93060	1.3
653.31879	12.9
671.32928	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	704.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65162	0.4
59.01383	2.1
61.17199	0.4
71.01387	7.1
71.83696	0.5
74.17240	0.4
75.75455	0.5
75.75925	0.5
78.74403	0.5
88.04042	79.8
89.71173	0.5
91.05545	2.8
96.95981	0.8
98.97156	0.5
100.67798	0.5
107.01437	0.8
108.78484	0.5
114.01995	5.0
115.00378	13.1
117.03458	0.5
123.00871	4.3
124.01619	4.3
125.02464	10.1
132.03036	100.0
134.06104	0.9
135.04543	3.5
139.00362	0.6
139.04039	2.2
140.01166	0.6
151.00403	1.1
162.40279	0.5
168.00685	0.9
169.01462	9.6
177.01965	0.5
206.08342	1.2
250.07243	59.4
285.06290	0.6
301.70901	0.6
313.05679	2.3
453.10474	23.7
453.16611	1.1
595.10223	0.5
611.69849	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69185	0.3
56.81101	0.3
57.72217	0.3
58.44997	0.3
59.01392	2.2
72.99306	0.4
82.27078	0.3
85.02940	0.5
87.00882	4.5
93.03460	1.6
96.96010	2.0
106.04267	3.4
107.05035	17.3
108.02184	1.4
109.02961	0.4
119.05025	0.6
121.02939	4.2
125.02451	0.4
130.06906	0.4
131.04991	0.6
133.03033	0.4
133.06601	10.4
134.03679	0.5
135.04536	3.8
147.04482	0.7
149.06084	23.7
151.04004	0.6
153.01932	0.4
177.05573	27.2
178.05849	0.4
179.03506	44.8
180.03819	0.4
195.06653	4.4
197.50885	0.4
217.00410	0.5
221.04602	1.7
239.05624	100.0
240.06068	0.6
314.59735	0.4
367.85999	0.4
580.52002	0.4
688.62567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3555
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18485	0.7
53.32193	0.7
54.83337	1.2
57.03459	0.9
59.01378	10.9
61.68822	0.8
66.09594	0.7
66.19114	0.8
71.01399	4.5
73.02940	0.9
75.00866	1.0
78.95896	1.2
80.02686	1.3
81.03473	3.8
83.05025	8.2
84.02190	0.9
85.02949	1.8
87.00874	1.9
89.02457	4.7
90.19361	1.1
92.02231	0.8
95.05022	1.2
96.96083	0.9
97.02972	5.3
99.00865	1.4
101.02440	7.0
102.40652	0.8
109.06598	22.9
113.02486	1.4
116.92861	6.3
119.04993	1.1
125.02445	1.2
125.09737	1.9
135.08173	5.0
142.02684	1.4
161.09689	1.2
163.11298	19.1
165.12845	3.5
181.12346	3.9
185.11777	1.0
191.10826	1.0
197.11868	7.8
207.10289	59.0
209.11864	100.0
225.11337	31.0
227.12930	12.3
253.09312	5.8
399.21942	4.7
417.23114	4.0
443.19180	1.3
445.20737	1.1
461.20282	6.3
635.30939	11.3
653.32068	13.2
671.32855	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	703.3196
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36206	1.7
55.01895	2.9
57.03459	4.1
59.01387	33.6
65.28764	1.4
65.37522	1.6
65.74667	1.5
71.01379	35.2
72.99325	9.3
73.02976	2.7
75.00869	25.3
80.02667	1.9
81.03455	3.6
83.01404	3.9
83.05025	12.0
84.02184	2.7
85.02955	30.9
87.00883	15.5
89.02474	9.2
92.10815	3.8
95.01410	3.7
95.05040	3.4
97.02972	3.7
99.00873	19.3
101.02477	2.4
103.00372	2.9
107.76586	1.9
109.03003	2.3
109.06593	29.1
113.02457	32.3
115.00396	3.3
117.01973	2.6
123.04562	2.5
125.09674	1.9
129.01950	2.3
135.08104	4.9
136.05371	2.3
142.02773	2.4
161.09718	3.7
163.11311	24.6
175.02422	3.3
181.12370	3.8
189.09294	1.9
193.03468	3.3
197.11920	12.5
199.09940	2.0
207.10297	49.5
209.11859	100.0
225.11360	28.3
227.12971	10.5
236.64241	1.6
249.06168	6.9
253.09102	2.4
285.03928	4.2
286.04330	2.9
395.11359	2.2
461.20233	3.0
475.18381	7.1
477.19919	7.3
635.30164	2.1
671.32776	2.8
685.30792	72.4
703.25110	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	703.1528
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	0.2
64.28529	0.1
64.39485	0.2
65.00333	0.4
68.06564	0.2
71.01392	15.4
71.37740	0.2
82.88639	0.2
83.01374	0.3
91.67825	0.2
97.39883	0.2
105.64187	0.2
107.01397	1.0
115.00378	8.4
121.02959	100.0
122.03268	0.3
125.02438	0.8
149.02469	0.3
150.99298	0.3
151.00397	4.0
151.04005	0.7
152.01166	1.4
155.25572	0.2
166.02730	1.2
167.03532	0.6
176.05205	0.2
178.99875	2.0
192.00587	0.3
193.01437	0.4
201.04300	0.2
215.03517	0.8
231.02887	0.2
237.04083	12.2
301.03564	1.9
306.73291	0.2
319.04688	0.4
339.07126	0.7
410.68967	0.3
465.10355	1.5
586.98969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4338
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40917	1.0
57.90725	1.0
59.01388	1.5
59.35564	1.1
75.92336	1.0
102.06380	1.1
105.58831	1.1
149.06076	4.4
150.06876	60.0
151.07735	1.3
163.07663	21.9
164.08403	7.1
176.08418	2.3
178.09996	6.4
179.10773	13.4
309.04129	1.1
372.77585	1.2
462.33517	18.8
476.35132	14.1
477.35925	100.0
639.41803	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	700.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04029	1.6
55.99937	2.0
61.98832	100.0
67.73466	1.7
92.10166	2.9
123.97124	2.0
232.91072	1.9
262.66306	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	701.267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	2.6
71.01382	12.3
72.99315	2.3
77.55540	0.3
85.02970	0.4
87.00865	2.7
88.37666	0.3
89.02464	1.6
103.00373	1.7
112.98769	0.4
115.00378	37.6
119.04291	0.2
119.05026	12.2
133.01439	100.0
134.03764	2.9
135.04530	41.6
149.00922	9.3
162.00325	0.3
163.04025	14.2
167.03508	0.5
179.03516	31.7
195.16081	0.2
220.44873	0.3
277.81406	0.3
295.04645	8.3
352.50000	0.3
626.98682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	701.3407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	20.2
61.98822	1.5
69.03455	2.2
70.71288	1.3
71.01369	3.1
80.02702	1.7
81.25559	1.4
84.33553	1.6
85.02970	1.7
87.00901	1.7
89.02428	3.5
97.02966	3.7
97.35498	1.4
101.02443	7.1
109.06593	20.1
113.02447	3.2
125.02502	2.3
135.08220	1.5
142.02719	2.3
153.12900	2.4
163.11317	14.8
169.12340	10.1
171.10457	1.6
179.10748	1.9
181.12282	1.8
183.13849	2.2
197.11852	100.0
207.08336	2.0
207.10306	60.8
207.12067	2.0
209.11876	15.6
211.13408	7.6
225.11357	24.3
235.08159	1.9
235.74054	1.6
237.14896	1.9
253.09230	8.8
369.20789	3.0
387.21844	9.9
405.22916	2.0
433.20459	2.7
461.20432	8.9
533.10724	2.0
595.31128	2.1
623.30853	28.6
641.31830	29.7
701.37140	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	701.3765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81753	0.7
58.84042	0.8
59.01388	11.1
60.46814	0.8
61.98831	2.0
67.87273	0.7
71.01373	1.4
89.02439	1.4
101.02482	1.1
115.61261	0.9
147.11021	0.9
183.13921	9.4
193.12215	1.1
211.13432	100.0
242.74887	1.1
253.09250	1.8
341.41101	0.9
447.22507	6.6
530.83380	1.0
623.34442	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	699.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40285	0.3
57.06215	0.4
59.01386	5.5
70.79804	0.4
72.99311	3.7
74.92666	0.4
76.86672	0.4
81.09884	0.4
85.02967	1.9
87.00881	12.4
91.05546	0.6
91.38194	0.4
101.02476	0.6
103.00378	4.2
105.01968	0.5
107.05038	2.4
109.02957	0.7
111.00998	0.4
112.98820	0.9
116.92851	2.1
117.03468	0.6
121.02895	0.4
123.04526	0.6
125.02467	1.9
130.99873	0.7
132.07655	0.4
134.03775	5.8
135.04541	100.0
136.04887	0.7
146.43062	0.4
147.03024	3.5
148.03362	0.6
149.00940	71.6
151.04008	0.5
152.48524	0.4
161.33066	0.4
163.03806	2.9
164.01263	0.4
175.04044	0.4
179.03526	95.7
180.03871	0.8
181.08749	0.7
184.06396	0.4
187.07440	0.4
229.08554	0.8
240.16809	0.4
247.09552	2.0
250.92180	0.4
289.07272	2.7
289.10300	0.5
311.04187	11.4
311.07346	0.5
384.79712	0.6
387.16656	0.6
409.14932	3.6
448.63428	0.5
588.68060	0.4
606.07532	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12777	0.3
54.82624	0.3
57.03479	0.4
58.00606	0.5
59.01383	27.8
70.86581	0.4
71.01382	12.3
72.99324	0.8
83.01402	0.9
85.02964	2.9
85.06602	9.1
87.00890	2.1
89.02442	16.3
95.01382	0.7
96.95992	0.4
101.02444	10.5
103.92134	0.4
107.05061	1.9
113.02455	6.1
113.06136	1.7
115.07698	1.3
119.03514	6.4
119.05032	2.9
126.33754	0.3
127.07628	1.4
131.07143	50.0
133.02939	0.4
133.06633	0.6
135.04558	0.9
149.00914	2.1
149.04617	0.3
149.06071	2.5
163.04047	3.1
163.05194	0.4
166.47169	0.4
173.08200	1.4
177.05573	3.7
179.03519	5.3
179.05705	0.6
180.03879	0.6
181.03958	0.4
187.26166	0.4
239.05649	9.1
240.05986	1.6
241.06093	1.6
263.00162	0.4
273.75296	0.3
280.62286	0.4
281.14883	0.4
293.12466	100.0
294.12830	1.6
405.17917	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	698.2869
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83207	1.6
59.01381	6.4
61.98835	100.0
63.76789	1.4
126.15485	1.6
146.07475	2.2
309.75449	1.8
354.91971	1.7
436.26147	1.7
674.95734	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	699.1427
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16755	0.7
54.83164	0.7
58.95364	0.9
59.01404	1.4
60.99330	1.0
65.00349	0.6
80.09835	0.8
83.01388	1.3
85.02937	0.9
88.98805	6.4
107.01398	3.6
109.02924	1.6
109.64951	0.9
121.02954	1.1
125.02426	3.0
135.04552	1.0
147.02975	0.8
151.00386	12.6
163.00354	0.9
169.01524	1.6
178.99832	4.0
216.04297	1.2
227.03699	2.4
243.02921	9.1
254.02162	3.2
255.03036	23.0
271.02496	53.2
273.32245	0.8
275.46237	0.8
283.02319	0.8
300.02792	100.0
301.03574	33.1
461.37488	0.7
474.36841	0.8
609.14722	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44639	0.4
50.72975	0.3
52.77748	0.3
57.03441	0.4
59.01409	2.9
59.01657	0.3
65.75488	0.4
84.02122	0.4
85.02969	3.7
87.00872	5.1
89.02517	0.4
91.01904	0.6
92.10769	0.6
93.03475	0.7
97.51977	0.4
97.76962	0.4
103.00365	0.5
106.04260	3.2
107.05039	17.9
108.02180	1.7
111.00883	1.7
111.51107	0.4
119.05038	0.8
121.02991	3.3
129.01950	1.8
131.05061	0.8
133.06604	9.3
134.03754	0.6
135.04523	6.9
145.64488	0.4
148.57346	0.4
149.00932	2.1
149.06096	23.5
151.04039	0.6
177.05597	27.0
179.03517	49.7
180.03802	0.9
195.06622	3.7
205.03528	1.6
221.04536	1.7
223.04692	4.2
239.05655	100.0
240.06041	0.9
256.72717	0.4
293.12485	1.7
403.16345	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	697.1995
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01190	0.3
54.43985	0.3
59.01378	2.4
60.94122	0.3
69.17439	0.3
71.01408	0.5
85.02968	1.6
87.00875	4.2
93.03445	0.6
101.02414	0.7
106.04245	2.0
107.05040	16.5
108.02200	2.0
109.02265	0.4
109.02981	0.5
111.00884	0.6
119.05025	0.7
121.02934	3.3
129.01991	1.2
133.02960	0.6
133.06596	8.4
135.04520	5.1
149.00911	2.5
149.06090	24.2
151.04001	0.3
177.05582	29.2
179.03510	47.1
193.04980	0.5
193.58337	0.4
195.06625	3.2
197.25418	0.4
205.03638	0.5
216.00465	0.4
221.04597	1.5
223.04723	3.0
239.05634	100.0
240.06004	0.6
316.44550	0.3
341.08606	0.6
372.61703	0.4
403.16074	1.4
464.88266	0.4
512.26459	0.4
639.89813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	6.4
58.20756	0.3
59.01387	5.9
64.75261	0.2
70.97373	0.2
71.01400	1.2
72.99310	10.0
72.99685	0.5
73.02966	1.6
82.22658	0.3
83.01400	0.7
85.02959	28.5
87.00900	0.3
89.02490	0.4
95.05048	0.5
96.96036	0.6
101.02440	5.2
103.00401	0.4
103.04018	1.4
107.05082	0.7
111.00906	1.7
119.03590	0.3
119.05049	1.2
125.02466	0.6
129.01956	15.8
133.02946	2.4
134.03778	3.4
135.04543	48.6
145.01434	0.7
145.84491	0.4
147.03024	100.0
151.00375	0.5
151.04083	0.3
161.02438	0.4
161.08244	5.6
163.02522	2.4
163.04022	1.6
163.11263	0.7
175.04025	0.4
177.02135	0.3
179.03526	38.7
190.41197	0.3
205.03590	1.2
223.04666	3.7
309.06238	4.2
341.09161	0.4
387.16815	3.2
449.10455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83510	0.9
52.30885	1.2
57.03456	2.1
59.01390	22.5
65.69305	1.1
71.01373	14.7
72.99315	1.9
73.02969	1.9
73.32359	1.2
83.01404	2.8
85.02964	4.9
86.69207	1.3
87.00884	5.3
89.02445	4.9
101.02439	6.6
113.02421	1.9
121.02915	7.8
125.02443	4.8
141.01961	7.6
161.02452	1.9
163.04007	1.2
168.03017	1.6
175.03946	2.5
243.03062	2.3
243.15919	1.8
275.05594	6.9
337.23792	1.3
355.24985	2.4
373.26096	5.9
407.06342	12.4
419.42432	1.3
445.56125	1.3
517.30389	7.8
535.31219	15.2
578.55475	1.5
697.36676	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	697.1631
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
64.00166	0.3
72.51209	0.3
85.02924	0.4
92.40189	0.3
107.01409	2.0
109.02959	1.3
124.01671	2.5
125.02447	2.6
131.07140	3.5
134.03769	0.4
135.04454	0.4
136.01604	0.5
137.02464	2.6
149.00868	0.3
151.00385	7.6
152.01189	1.7
158.05661	0.3
163.00391	2.0
163.04036	0.6
164.01147	1.5
169.01443	0.7
173.08252	0.7
178.99870	6.6
192.00543	0.4
193.01469	0.5
193.04994	0.4
200.39980	0.4
203.03423	0.4
214.02788	6.7
215.03508	0.4
227.03549	0.7
232.03888	0.5
242.02196	5.8
243.02885	2.7
259.02496	6.0
270.01700	6.6
271.02518	38.6
285.04092	0.5
287.02002	22.9
288.02795	1.6
299.02051	0.8
316.02283	100.0
317.02997	13.2
479.08395	78.6
480.08612	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82863	0.8
59.01384	100.0
61.98846	0.9
66.15512	0.6
77.11932	0.5
81.52912	0.7
82.85703	0.6
86.33955	0.6
92.10395	2.6
102.48816	0.7
112.30007	0.7
121.02970	2.7
130.08929	0.8
154.06551	0.7
182.19829	0.7
194.98351	0.8
209.04564	0.9
277.76132	0.8
391.56799	0.7
447.03613	0.7
563.68701	0.8
593.12695	1.0
604.54236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97156	0.4
54.12372	0.4
55.62408	0.4
57.03452	4.4
59.01391	5.9
63.93826	0.5
67.15836	0.5
69.03459	0.7
71.01385	0.8
81.03464	4.3
81.16342	0.7
83.01382	5.8
85.02949	5.5
85.50543	0.5
87.00892	0.8
89.02438	0.6
92.10125	0.6
93.03453	2.9
95.01392	0.7
95.05019	4.6
97.02953	8.7
101.02480	0.6
108.02171	1.2
109.02213	1.2
109.02957	38.2
111.00902	3.0
119.05039	3.4
121.02948	5.8
122.03741	1.0
123.00839	0.6
123.04520	27.5
125.02447	22.2
129.01958	1.1
133.02896	1.8
134.03725	0.7
135.04538	3.4
137.02440	15.1
138.03232	0.7
139.04036	6.3
145.02975	0.9
146.03780	1.3
149.00929	2.0
149.02444	6.0
149.06021	0.5
150.03241	1.1
151.04008	13.2
157.06596	0.6
159.04523	3.3
160.05286	2.2
161.02429	1.1
161.06088	7.5
162.03256	1.0
163.04047	4.5
164.01193	4.6
165.01959	5.8
167.03500	3.1
173.06131	1.1
174.06891	0.6
175.04074	3.9
175.07637	2.6
176.19237	0.6
177.01903	0.7
177.05640	0.7
179.03537	7.7
185.06081	0.8
187.04018	6.8
188.04854	4.8
193.05113	0.6
201.05632	0.8
202.06445	3.7
203.07191	17.0
204.07430	0.6
205.03497	1.7
205.05124	9.6
212.04811	0.7
221.08224	6.7
223.04547	2.1
227.07251	3.9
231.03128	0.6
245.08206	21.5
247.06119	1.0
271.06070	0.9
289.07217	100.0
290.07614	0.9
405.17813	9.0
435.03644	0.7
461.75153	0.6
525.98547	0.6
702.50226	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.3046
Annotation	Unknow
Peak:m/z	Relative Intensity
58.21069	1.4
59.01380	13.3
61.98828	2.7
64.54849	1.7
71.01390	11.5
83.01706	1.8
83.05070	3.5
85.03008	1.7
89.02442	4.2
97.02989	2.5
101.02457	7.5
109.06602	26.1
125.02453	2.3
134.03719	2.5
135.04532	3.7
135.08095	2.3
161.04579	2.1
163.11284	16.7
169.12364	7.4
181.12311	3.7
185.11813	1.9
197.11848	100.0
207.10297	76.3
209.11836	18.3
211.13438	7.5
225.11356	39.9
227.12971	2.4
235.08214	2.7
253.09320	12.8
299.15060	1.9
387.21906	3.8
399.19128	2.1
405.22833	2.6
443.19135	2.8
461.20490	21.2
606.32440	2.1
623.31122	4.1
641.31854	19.9
642.32532	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	695.3131
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60876	0.3
51.49954	0.3
57.62363	0.3
58.29220	0.3
59.01385	100.0
59.32780	0.3
59.75084	0.3
60.01740	0.3
63.02849	0.2
76.06287	0.3
78.95899	5.1
79.42724	0.3
96.34183	0.3
131.92676	0.3
218.14908	0.4
267.48370	0.4
447.13303	0.6
456.01910	0.4
695.31317	26.1
696.31714	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	18.0
59.01393	1.4
63.44198	0.6
65.00358	0.8
68.04323	0.6
75.82503	0.6
78.81792	0.6
81.03479	2.7
83.01384	5.4
85.02960	0.6
87.00881	1.0
91.21203	0.6
93.03468	3.6
95.01392	0.6
95.05051	0.7
96.79305	0.7
97.02970	1.5
107.05086	2.3
108.30946	0.6
109.02961	15.2
112.77106	0.6
117.03482	1.3
121.02984	4.2
122.03711	0.7
123.04527	11.8
125.02453	100.0
131.04977	0.9
133.02943	6.9
135.04533	5.8
137.02470	18.3
139.04048	2.5
143.05060	0.7
145.02988	6.6
146.03792	2.4
147.04550	1.2
149.02448	5.8
150.03195	1.1
151.04016	12.3
157.06575	0.6
159.03264	1.1
159.04500	7.3
161.02466	29.9
161.06128	6.5
162.03255	2.6
163.00366	2.6
163.04053	4.2
164.01195	4.5
165.01947	5.7
167.03604	0.8
169.01477	0.8
173.06096	1.3
174.03218	1.2
175.04028	12.1
175.07684	1.3
176.01118	0.8
177.01952	14.1
179.03508	3.7
183.04517	1.4
185.06090	3.4
187.04005	7.0
188.04753	2.3
189.01892	1.0
189.05632	0.8
197.06042	1.3
199.03972	2.7
200.04842	0.7
201.05585	3.6
202.06323	0.9
203.03578	1.1
203.07141	7.9
205.01480	2.5
205.05116	6.6
209.06271	0.9
211.04056	1.4
212.04817	0.7
213.05624	2.4
215.03578	2.3
217.05032	2.6
219.03020	1.1
225.05652	1.3
225.66165	0.6
227.03580	3.2
227.07138	2.7
228.04274	1.2
229.05139	4.4
229.08574	0.6
231.02959	1.3
237.05707	2.2
241.04895	1.0
243.03018	5.5
243.06665	1.1
245.04570	4.8
245.08195	11.8
253.05106	1.3
255.03059	8.5
256.03687	4.3
257.04614	1.3
269.04581	3.1
271.06223	8.6
273.03992	2.3
281.04611	3.7
283.02533	2.6
285.03979	4.3
287.05603	6.3
289.07205	33.5
297.07715	0.8
299.05713	3.4
321.07672	1.0
329.06689	0.8
339.08850	2.6
363.08804	1.0
381.09918	1.2
389.06787	3.5
407.07779	53.4
409.09274	1.0
425.09018	7.1
433.09460	4.8
451.10382	12.4
527.09851	2.4
545.11121	8.5
559.12683	3.2
571.13123	0.8
577.13489	9.0
697.15479	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	695.2571
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22515	0.4
56.53881	0.3
56.54731	0.3
57.03454	4.5
59.01380	1.0
61.15784	0.3
66.96626	0.4
72.99307	8.6
73.02950	0.6
81.93863	0.4
85.02963	25.0
89.02446	0.4
96.96013	2.1
97.92759	0.4
101.02460	4.3
103.04038	1.9
107.05049	0.8
109.02970	0.5
111.70579	0.4
113.02557	0.5
119.05030	0.5
123.04512	0.6
125.02450	0.9
129.01942	15.0
133.02994	3.5
134.03775	4.4
135.04530	55.9
145.01401	0.6
147.03009	100.0
163.02509	1.6
163.03903	0.8
177.01999	1.0
179.03513	41.3
204.22945	0.4
223.04646	1.6
231.90569	0.4
289.69449	0.5
309.06281	4.9
330.33337	0.4
385.82150	0.4
693.29523	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.4309
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79208	1.8
50.99765	1.9
53.96871	1.4
54.82861	1.7
74.39487	1.7
78.95914	14.1
82.66637	1.9
83.05044	4.1
104.54263	1.9
110.50352	2.6
113.04730	2.2
128.03860	2.1
140.01221	9.1
163.11295	8.2
165.12804	3.7
185.47041	2.2
196.03882	3.9
209.11842	100.0
227.12885	11.1
255.23325	63.1
256.23642	2.3
295.52426	2.2
315.57922	2.1
591.28088	2.3
615.84253	2.7
646.93671	2.2
662.40607	14.6
683.70154	2.3
694.43195	43.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96910	3.0
53.71536	3.2
56.89816	3.2
59.01394	5.0
61.02457	3.7
76.57922	4.4
78.95937	3.2
168.03851	3.5
205.73976	4.5
209.11868	100.0
211.13461	83.7
227.12918	17.2
273.43079	3.4
295.22803	8.3
376.79050	4.2
445.20764	5.8
693.32526	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
56.10070	2.1
59.01385	3.9
61.98845	3.6
112.87337	2.3
125.02505	2.4
145.91541	3.2
146.00873	2.5
155.75674	2.5
162.47130	2.7
171.10248	3.1
183.14076	3.2
209.11848	52.1
211.13432	100.0
227.12964	10.5
235.08243	2.7
246.42899	3.1
253.09387	3.3
380.06763	2.4
447.22507	15.4
639.33582	4.4
671.22870	2.9
693.32800	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	691.3556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84763	1.4
56.62571	1.4
57.14330	1.8
59.01381	23.0
61.98848	3.8
69.73380	1.4
71.01382	29.1
72.68094	1.7
73.02966	2.4
77.88837	1.6
85.02991	3.4
87.00884	2.5
89.02439	13.7
101.02457	12.9
113.02443	3.2
125.02467	3.2
126.15194	1.6
171.10284	12.3
183.31787	1.7
195.13940	12.5
197.11823	3.8
201.11385	3.2
207.10336	2.6
209.11833	11.4
210.12172	2.5
211.13449	16.9
223.13396	6.9
227.12978	2.5
253.09296	2.5
275.20239	6.7
290.80725	2.0
293.21280	100.0
397.13599	16.4
415.14697	18.0
553.04382	1.8
673.34180	2.5
691.36218	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	691.3562
Annotation	Unknow
Peak:m/z	Relative Intensity
55.07891	0.6
57.03457	1.2
59.01394	6.6
61.98842	1.2
66.99780	0.7
69.03468	1.1
71.01392	8.1
73.02967	0.7
73.56470	0.7
78.95914	1.1
80.02703	0.8
81.03455	1.0
83.01403	1.1
83.05051	4.5
84.02174	1.1
85.02950	1.3
87.00826	0.8
89.02480	4.1
95.05047	1.0
97.06596	4.5
101.02456	5.5
109.06602	0.8
112.72556	0.7
113.02492	4.1
118.61062	0.7
119.03531	0.9
125.02444	1.2
133.10197	0.8
141.87166	0.8
143.03563	0.9
151.11301	17.6
161.04549	0.8
163.11290	2.9
169.12357	100.0
171.10268	3.5
181.12399	1.1
185.11839	0.9
195.10217	1.3
197.11908	1.1
207.10324	1.4
209.11873	56.6
210.12260	2.6
211.13431	3.1
213.11356	11.5
216.41403	0.7
225.11455	1.3
227.12872	5.0
253.09332	3.5
449.20422	3.6
632.51202	0.9
637.32245	1.1
659.33014	69.4
660.33270	1.1
691.35278	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	691.356
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07944	0.2
55.01893	0.3
57.03477	0.3
59.01387	3.6
61.80279	0.3
64.58352	0.3
71.01056	0.3
71.01373	2.4
73.02958	0.5
80.02676	0.7
81.03468	2.0
83.05017	4.2
84.02171	1.4
84.97906	0.3
85.02972	0.5
85.55782	0.3
87.00880	0.4
89.02454	1.5
94.12357	0.3
95.05050	0.6
99.24835	0.3
101.02459	2.7
113.02457	1.5
119.03521	0.5
125.02463	0.7
125.06055	0.4
125.09748	0.8
126.68744	0.4
126.84282	0.3
127.11285	1.4
135.08224	0.4
155.10748	0.5
161.04613	0.6
163.11304	3.9
165.09181	0.4
165.12849	2.8
171.10289	2.9
181.12354	1.2
191.10793	0.7
199.09850	0.6
201.11362	23.6
209.11867	100.0
210.12270	1.3
219.33063	0.3
227.12917	9.7
235.08192	1.6
253.09282	7.6
299.02036	0.4
375.21985	0.4
445.20737	1.7
568.25085	0.4
637.32355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
64.54257	0.2
69.53371	0.2
71.38767	0.2
77.78363	0.2
79.95742	1.8
91.52472	0.2
96.96008	100.0
99.61974	0.2
107.01403	0.2
110.69386	0.2
122.56484	0.2
123.63463	0.2
125.02470	0.4
126.01081	0.2
151.03996	0.3
227.03491	1.6
229.04871	0.5
255.03018	2.4
257.04697	0.3
284.03296	3.2
285.04089	3.1
385.69281	0.2
593.15338	3.8
616.31818	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.1886
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68434	0.4
59.01397	1.6
66.86862	0.4
70.60866	0.4
75.70224	0.4
79.74968	0.4
87.00879	4.8
88.04064	0.5
92.10774	0.5
93.03461	0.9
96.96005	2.0
106.04240	2.1
107.05038	16.7
107.29252	0.4
108.02200	1.9
112.51804	0.4
115.00433	0.5
121.02970	2.1
125.02505	0.5
131.05032	0.4
131.27295	0.5
132.03059	0.6
133.06587	8.8
135.04515	2.4
142.39873	0.5
142.98859	0.5
149.06090	24.2
169.01404	0.8
173.07190	2.5
177.04033	0.8
177.05583	27.8
179.03511	45.0
195.06638	3.7
221.04575	1.8
223.04572	0.8
239.05630	100.0
317.59531	0.5
331.64624	0.5
402.95920	0.4
451.13800	1.9
535.22107	0.4
619.27026	0.5
711.70355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89919	3.1
59.01407	8.0
60.70689	3.4
60.99350	3.8
65.18779	3.8
71.01389	32.1
75.29348	3.9
78.95910	70.5
96.96987	6.2
102.31203	3.7
109.06635	4.5
122.50669	4.2
133.52760	3.7
152.99593	51.9
163.11279	6.1
171.10327	27.9
183.13937	7.0
185.11880	17.6
197.12007	15.6
201.11436	5.2
207.10396	7.2
209.11868	100.0
210.12259	6.0
211.13428	21.9
227.12978	8.5
293.21161	5.0
327.21640	6.3
363.12213	6.7
597.33850	4.3
691.34583	42.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	691.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80889	6.0
52.05456	6.0
52.52865	6.6
57.68139	6.7
58.46061	6.4
59.01388	9.5
61.93670	5.7
61.98832	15.8
64.35179	6.6
67.58582	6.2
78.95923	33.7
82.43475	6.8
82.78505	6.9
105.56171	7.4
128.95059	8.3
152.99593	13.5
209.11836	100.0
230.56317	9.1
250.96782	7.9
449.41092	8.6
536.04468	7.6
566.18726	8.8
664.61530	8.6
691.31915	12.9
699.53119	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	691.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92641	3.5
53.72559	3.5
58.23665	3.7
58.46112	4.3
59.01386	6.6
61.98825	5.7
74.26289	4.0
78.95907	10.0
83.01443	4.3
84.95385	3.6
99.01676	5.3
130.77617	4.7
149.54462	4.4
152.99611	17.4
153.67476	4.7
207.10243	10.1
209.11850	100.0
211.13435	17.3
227.12988	5.9
309.20703	6.3
352.13293	8.8
355.85904	6.3
381.17090	18.6
445.21115	7.4
637.32397	6.6
655.33722	9.1
691.32428	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	691.3116
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83377	8.2
59.01393	33.1
59.42994	6.8
64.35383	6.8
68.18187	6.7
71.01385	92.8
78.98785	6.4
81.29526	7.2
89.02456	9.6
92.10075	16.3
92.66364	6.8
101.02479	12.4
109.06606	17.6
163.11336	10.9
164.11311	8.1
171.10292	47.4
183.13937	39.8
183.42220	7.6
185.11867	63.1
197.11850	18.5
207.10365	85.5
209.11899	92.5
211.13463	100.0
222.03770	7.8
225.11392	49.7
227.13005	9.5
235.08342	8.9
242.34924	8.6
243.11432	7.8
243.97459	7.6
253.09320	12.5
275.12689	7.8
293.21356	12.1
637.32642	59.4
655.33539	30.8
723.76898	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	689.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03990	15.2
51.85246	16.1
54.82770	22.6
56.59245	16.1
57.74895	17.3
58.35416	18.3
61.98830	25.2
66.37444	18.7
76.57705	24.9
84.24598	22.0
91.78948	17.6
110.02373	21.1
125.02412	27.2
127.69756	20.8
137.97878	18.2
146.66360	19.7
255.23431	23.3
268.34055	20.0
397.13782	100.0
413.95029	23.3
653.39539	24.1
689.35327	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	19.0
62.13724	8.9
64.34932	8.7
69.48866	7.1
71.01424	11.1
71.47489	8.2
74.26026	8.2
80.25517	7.2
81.86749	8.2
88.97679	7.4
89.02483	13.1
90.39078	10.6
101.02482	16.0
102.55225	10.2
103.95290	9.0
115.90076	9.2
116.74416	8.6
157.48328	7.6
172.62900	9.7
191.97621	9.9
200.31033	8.5
255.23346	82.1
386.81494	9.1
397.13522	81.6
415.14813	19.1
480.24017	10.3
653.37000	13.6
689.35205	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82919	1.2
57.99438	1.2
59.01393	14.1
71.01389	11.0
71.05029	1.9
81.03452	1.5
83.05025	8.3
89.02464	2.6
90.06860	1.4
92.10860	2.5
97.02914	2.9
99.00871	11.9
101.02450	6.0
112.82669	1.4
113.02467	2.2
116.92841	3.1
125.09720	7.5
126.00418	1.2
161.04510	1.5
163.11320	17.9
165.12886	3.3
167.68159	1.3
171.10321	3.1
177.83139	1.3
181.12375	11.8
183.13902	1.6
197.11913	1.7
199.13412	20.3
207.10316	34.4
209.09872	3.2
209.11870	100.0
211.13437	29.7
225.11359	40.0
227.12909	6.8
243.12375	7.3
253.09207	2.2
292.53555	1.3
415.57813	1.7
449.53146	1.4
461.20398	2.6
479.21045	2.3
585.75452	1.7
671.32043	1.8
689.33997	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48631	1.3
52.01199	1.4
57.38685	1.5
59.01388	12.7
71.01380	67.5
72.25336	1.4
72.64308	1.7
73.02954	1.9
75.37850	1.4
76.41582	1.7
78.95914	6.7
80.02673	1.5
81.03457	2.7
82.23080	1.5
83.05031	7.1
85.02953	3.0
87.00877	2.0
89.02479	2.5
97.02943	2.8
101.02457	3.9
109.06596	14.2
110.03706	1.6
112.24059	1.9
117.98012	1.5
125.09801	1.9
130.01855	1.7
142.02695	2.1
152.99651	2.9
161.09735	1.5
163.11317	18.3
165.12848	2.1
171.10258	17.2
181.12326	2.4
183.13960	3.9
196.76593	1.6
201.11359	9.1
207.10306	35.2
209.11877	100.0
211.13370	7.0
225.11378	27.8
227.12907	9.3
253.09268	3.8
399.79361	1.6
408.42056	1.7
461.20129	6.9
624.95215	1.9
657.34851	6.1
689.34613	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	689.3399
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	2.9
57.03461	3.6
59.01387	67.9
59.01653	3.9
61.98832	3.7
69.02383	2.3
71.01391	74.8
73.02964	5.9
73.57520	2.0
77.30910	2.2
78.95924	8.9
79.48630	2.0
80.21416	2.1
83.05054	15.2
85.02976	13.3
87.00896	4.7
89.02444	24.0
95.01415	4.9
97.02991	9.8
97.06622	2.7
101.02460	21.9
106.04269	2.6
109.06609	36.5
110.84176	2.1
111.08175	12.6
113.02470	5.5
119.03516	4.1
123.08240	2.7
125.02423	5.4
125.09705	3.7
135.04527	2.9
135.08162	4.5
161.04514	4.9
161.09692	3.2
163.11320	27.8
165.12869	16.4
171.10378	17.0
177.12852	3.6
179.05615	2.8
181.12337	12.2
183.13911	100.0
195.13898	12.2
197.11870	4.8
199.13390	3.1
201.11375	3.1
207.10312	88.2
209.11896	75.8
211.13466	20.8
225.11377	42.5
227.12923	19.2
235.08266	11.4
250.25227	2.6
253.09265	16.7
291.19705	77.8
297.04141	2.6
307.19589	2.6
373.23853	5.2
391.24948	4.2
397.13498	32.3
415.14551	17.3
446.72351	2.6
461.20505	17.3
482.52029	2.8
627.33118	2.9
653.31952	3.0
671.32788	20.5
689.34442	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	689.1937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30522	1.2
57.03471	1.9
58.32188	1.6
59.01385	79.5
59.24158	1.5
71.01385	38.9
72.99322	2.2
85.02937	12.2
89.02446	44.6
95.01411	3.8
99.04561	2.1
101.02440	27.0
102.07333	1.5
108.02170	15.1
113.02448	16.1
115.04048	2.0
117.05602	1.6
119.03506	16.6
121.02968	7.0
123.00912	2.8
123.04533	27.4
125.02419	1.6
134.15320	1.5
138.03232	7.5
139.63025	1.7
147.45320	1.7
150.49252	1.7
153.05589	3.2
161.02415	1.7
161.08197	38.8
165.01909	2.0
166.02792	2.5
166.99965	2.0
167.03485	34.2
177.01917	2.3
178.02637	1.6
179.05624	1.6
182.02246	8.6
193.05124	2.8
194.79718	1.6
197.04567	9.4
209.04613	19.4
239.05719	3.0
269.06699	18.1
329.08826	100.0
401.84152	1.6
418.19678	1.9
689.19922	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	689.2675
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82600	0.2
59.01387	0.8
71.01392	0.2
73.66328	0.2
85.02971	0.7
87.00893	0.2
92.10792	0.4
93.03485	0.3
99.44547	0.2
101.02467	0.3
107.05000	0.7
117.03436	0.1
119.05029	100.0
120.05364	0.9
125.02441	0.3
134.03723	0.4
135.04536	0.3
139.60016	0.2
151.03981	0.2
163.04022	75.5
164.04375	0.7
176.04965	0.2
176.59529	0.2
179.03484	0.3
188.79657	0.2
193.05055	0.7
200.99632	0.4
205.05083	0.2
228.43829	0.2
263.97250	0.2
289.07303	0.3
314.57407	0.2
325.09354	9.4
465.60400	0.2
669.99432	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	689.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00329	1.4
59.01383	12.1
71.01384	76.0
73.02959	2.2
80.02693	1.7
81.03446	3.8
83.05030	7.6
84.02184	1.5
85.02965	1.8
89.02460	3.9
92.51981	0.9
95.05045	1.4
96.24827	0.9
97.02931	3.7
98.01157	1.1
101.02462	5.7
103.28301	0.9
109.06593	14.6
111.04550	1.0
113.02386	1.3
125.09764	1.4
127.11283	1.1
135.08182	1.7
136.05273	1.1
143.03503	0.9
155.10825	1.9
161.09775	1.3
163.11307	14.5
163.43578	0.9
165.09067	1.0
165.12891	2.0
171.10294	22.7
181.12373	4.8
185.11852	1.8
199.13460	1.1
201.11414	11.4
207.10315	35.6
209.11868	100.0
215.12860	1.0
225.11360	26.0
227.12881	9.7
235.08299	1.7
253.09343	7.2
399.21765	1.9
417.22961	1.3
417.28757	1.4
461.20584	5.3
671.33514	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	689.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	4.0
59.01390	1.8
59.63095	0.7
63.02409	11.9
65.00333	11.8
66.34340	0.7
75.54078	0.7
75.84059	0.8
80.97414	1.0
83.01393	11.6
87.00884	59.6
101.46558	1.0
107.01399	31.6
108.64069	0.9
109.03010	1.2
125.01659	0.9
125.02444	25.8
128.42403	0.9
133.02916	1.5
135.00879	1.9
137.02475	1.2
149.02423	1.0
151.00381	80.1
151.03871	1.3
153.01959	0.9
159.04530	3.5
161.02490	1.2
163.00385	2.0
165.01926	5.1
169.01434	12.3
173.06053	0.9
174.03329	1.0
175.03961	3.8
177.01955	19.4
178.99875	100.0
183.04497	1.3
185.06108	13.8
187.04001	2.0
189.01949	1.5
189.05641	1.1
191.03490	1.9
197.02444	1.4
197.06084	1.1
198.03233	1.7
199.04106	2.7
199.07622	0.9
201.05641	3.2
202.06358	1.1
203.03557	3.6
203.07184	1.9
205.05011	1.6
209.06100	3.5
211.04005	4.8
211.07654	4.2
212.04793	4.4
213.05618	22.0
214.02789	4.0
215.03568	13.4
217.01373	1.0
223.04053	1.7
227.03439	4.7
227.07164	4.4
229.05019	4.0
229.08768	1.4
231.06654	18.5
237.05534	8.7
239.03534	5.6
239.07256	3.3
240.04242	4.3
241.05106	45.4
242.05602	1.0
243.02901	1.8
243.06796	1.3
244.03693	3.8
245.08475	1.0
251.03569	2.1
251.07100	1.7
253.05101	1.9
254.05739	1.4
255.06599	11.6
256.03815	3.9
257.04559	11.7
259.06061	2.1
263.03592	1.1
264.04193	1.8
265.04999	6.7
267.02948	5.3
267.06525	0.9
268.03873	1.3
273.07721	1.9
275.07001	1.7
278.05795	1.8
279.06607	6.7
281.04568	4.0
283.06058	7.6
284.03159	2.0
285.04056	9.8
285.07321	1.4
287.07132	1.0
291.06415	1.1
293.04736	1.2
295.02402	1.4
301.07159	1.7
303.06546	1.5
305.04660	1.5
306.05292	1.9
307.06070	4.5
309.04086	3.8
309.07565	1.1
312.46326	0.9
319.06085	3.1
321.07901	1.8
327.05139	8.0
331.06305	1.2
337.07260	1.4
347.05759	7.2
349.07248	2.0
350.04242	4.3
351.05286	2.2
363.07083	5.6
365.06668	20.6
375.05093	6.2
393.06219	65.9
394.06277	1.2
403.04532	1.5
435.07526	2.0
447.03448	1.4
463.06778	4.3
483.05298	1.3
489.04803	1.2
507.05505	1.9
507.47488	1.0
509.13391	2.0
525.06842	20.9
543.07898	31.1
585.78400	1.3
629.11041	1.3
651.03284	0.9
689.13715	64.0
690.13892	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	687.325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74666	0.4
55.01892	0.9
57.03452	0.7
59.01387	9.0
67.01908	0.4
69.03458	6.0
71.01382	7.4
71.05032	2.8
73.02959	0.9
75.45874	0.4
80.02679	2.3
80.50909	0.4
81.03458	2.0
83.01398	0.8
83.05028	8.5
84.02172	2.0
85.02966	2.7
87.00892	0.7
89.02448	4.0
92.10858	0.8
93.03505	0.5
95.05038	1.6
96.79392	0.5
97.02997	0.6
97.06601	0.8
99.00893	0.5
101.02450	5.9
111.08233	0.5
113.02471	2.5
123.08179	2.6
125.02411	0.4
125.06116	0.5
125.09737	4.2
135.08144	0.9
137.09756	0.6
137.99561	0.4
149.09671	0.6
151.11327	5.3
153.12875	2.1
161.04547	1.7
161.09758	4.9
163.11288	6.5
165.12834	4.3
171.10289	1.8
179.10811	10.7
181.12389	1.0
191.10747	1.7
197.11861	74.6
198.12186	0.5
207.10306	2.0
209.11862	100.0
223.09778	1.6
225.11336	0.8
227.12868	5.3
241.10785	4.1
253.09352	3.8
289.48227	0.5
289.81833	0.4
441.27634	0.5
452.47379	0.5
459.18478	0.5
477.19940	2.3
669.32147	0.7
687.32471	94.8
688.32977	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	687.324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86051	0.5
55.01878	1.3
57.03456	1.2
59.01384	9.9
59.01611	0.6
59.84294	0.6
68.99835	3.0
69.03446	0.8
71.01378	19.7
72.99332	0.7
73.02959	1.1
80.02684	2.7
81.03479	1.2
83.01384	1.5
83.05031	8.9
84.02197	2.9
85.02970	1.4
87.00864	1.3
89.02438	4.9
95.01290	0.7
95.05029	1.4
97.02964	3.4
97.06565	1.5
99.00879	0.9
101.02441	5.5
107.05054	1.3
109.06610	4.6
110.03743	5.1
111.04518	10.3
111.08179	0.9
113.02425	1.4
114.39393	0.7
121.06631	0.7
122.03754	0.7
123.08151	2.7
125.06098	1.3
125.09718	5.6
127.11278	0.8
135.08162	2.7
137.09723	1.4
149.06133	0.9
151.07669	1.0
151.11287	4.0
153.09198	0.8
161.04605	1.2
161.09735	6.5
162.09926	0.7
163.11299	7.6
165.12825	4.5
171.10271	25.4
177.09178	2.9
179.10770	9.8
181.12407	1.6
185.11829	1.0
187.09731	0.7
191.10776	1.2
195.10324	0.9
197.11868	4.5
199.09750	0.8
199.14607	0.7
205.08704	10.2
207.10297	7.7
208.41142	0.7
209.11861	100.0
210.12166	0.8
213.11371	4.5
223.09785	28.7
225.11385	4.1
227.12961	10.9
235.08275	1.3
241.10866	3.2
253.09398	7.2
299.14700	0.8
357.58316	0.7
415.21298	0.8
459.18652	5.0
461.19907	1.0
541.06812	0.7
623.31006	0.8
651.30450	4.9
669.31329	5.6
687.32635	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	687.3245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78253	1.1
52.16161	1.1
54.83195	1.1
55.01904	1.1
59.01382	13.3
68.99836	2.2
69.03462	1.6
71.01386	20.3
75.00877	1.1
80.02653	1.4
80.18309	1.1
81.03461	4.4
83.01388	1.3
83.05031	8.7
84.02188	1.4
85.02957	2.7
87.00858	1.1
89.02450	5.3
89.02946	1.1
92.10115	2.2
95.01382	1.9
95.05034	1.8
97.02948	5.2
99.92546	1.3
101.02430	6.2
103.29803	1.1
108.98093	1.1
109.03001	1.3
109.06610	6.0
111.04526	11.1
111.05205	1.2
113.02473	2.5
116.92850	29.4
123.04565	1.8
123.08182	1.4
125.06110	1.3
125.09729	2.1
133.06604	1.3
135.08128	1.6
136.05304	7.4
137.02412	1.6
141.25298	1.2
147.94496	1.1
149.06123	2.1
149.09680	1.3
151.11304	2.2
155.10846	1.4
161.09700	5.6
163.11288	8.0
165.09267	1.6
165.12846	4.9
171.10269	32.1
177.09172	2.5
179.10774	8.8
185.11775	1.8
185.92334	1.1
187.09639	1.2
197.11816	5.5
201.11354	1.6
205.08723	8.8
207.10266	14.6
209.11858	100.0
213.11382	2.1
223.09821	25.6
225.11446	8.3
227.13007	11.1
235.08215	1.4
239.88971	1.2
241.10724	2.3
248.03345	1.2
253.09283	9.2
459.18884	5.0
465.35953	11.7
651.30792	5.6
669.31500	6.8
687.32483	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	687.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01244	0.5
51.16505	0.5
53.50995	0.5
53.92479	0.5
55.01891	1.0
57.03453	1.5
59.01385	17.9
64.34563	0.7
67.01880	0.7
67.42001	0.7
68.99831	0.7
71.01381	15.5
71.05038	1.0
72.99304	5.5
73.02948	1.1
75.00865	13.9
81.03441	1.4
83.01392	1.7
83.05029	7.1
84.02171	2.7
85.02952	19.3
87.00419	1.0
87.00856	6.5
89.02447	4.7
89.77796	0.7
95.01399	3.9
95.05005	1.1
99.00884	8.9
101.02438	4.0
103.00380	1.1
104.60725	0.7
109.06604	1.6
113.02457	13.0
115.00395	1.2
117.01936	3.0
119.03461	0.7
125.06097	0.8
125.09681	1.2
135.08115	1.5
163.11269	8.1
165.12828	4.3
169.12383	1.1
171.10286	6.5
177.09209	1.1
179.10815	0.9
181.12364	0.8
191.10802	1.6
197.11833	12.0
207.10291	5.2
209.11864	100.0
216.97408	0.6
223.09799	1.1
225.11362	4.3
227.12894	7.4
253.09389	0.9
301.07297	1.2
459.18845	1.0
477.19556	2.9
525.34802	1.0
687.32379	85.1
688.32849	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	685.345
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20422	3.1
59.01396	22.8
59.80505	3.5
71.01389	100.0
85.02981	3.5
85.97355	3.3
97.02969	5.7
101.02430	5.7
109.06621	21.2
148.32307	3.9
163.11317	6.9
167.10748	4.7
171.10297	5.0
195.13928	21.8
201.11412	4.4
205.12396	7.3
207.10306	43.8
209.11848	8.8
223.13423	83.5
225.11365	28.9
235.08316	5.9
239.13087	5.3
253.09381	6.0
588.45068	4.3
667.33350	6.3
685.35150	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	686.1582
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55627	0.7
56.45790	0.7
59.71189	0.7
61.98832	47.9
71.70927	0.9
72.62486	0.8
90.04566	0.7
107.01427	1.5
114.64745	0.8
118.46134	0.9
125.02486	1.9
137.31776	0.9
139.09021	0.7
151.00395	5.3
161.02415	0.8
163.00325	1.5
163.04094	0.9
189.01648	0.9
199.04025	4.8
215.03485	1.2
227.03506	7.4
242.02216	2.0
243.03003	34.4
244.03738	3.3
254.02122	1.0
255.03017	21.1
256.03760	1.1
257.04547	6.7
270.01752	4.5
271.02505	58.0
272.03250	4.2
285.04071	12.1
286.04849	3.4
287.05640	1.0
299.01999	55.4
300.02780	41.3
313.03458	1.0
314.04379	56.7
315.05164	100.0
316.05460	1.0
357.06180	1.2
623.16278	99.6
624.16418	1.4
671.80511	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.3366
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01892	0.4
55.89757	0.5
59.01360	0.4
66.03514	0.6
67.03060	0.5
71.02514	3.1
72.00918	1.2
74.02468	10.8
82.02972	7.4
82.03359	0.5
84.08223	0.7
85.04076	1.0
94.06633	0.8
98.01233	0.7
109.04079	5.4
110.02462	0.7
111.01997	0.8
111.03257	1.0
112.07653	2.2
112.55649	0.7
116.05059	26.2
118.06648	0.6
125.03606	3.5
127.05136	14.7
127.08775	2.5
128.03563	3.3
129.10335	16.1
130.06625	1.2
137.07193	0.9
138.05609	0.9
139.08795	5.9
142.06610	6.3
146.06123	13.7
153.06648	2.4
155.08273	19.3
157.07713	2.8
158.06152	0.7
159.09300	5.3
160.07735	5.3
162.08002	0.7
172.07671	0.9
174.05580	1.9
177.10329	12.8
178.08803	4.2
179.15570	0.6
186.05637	1.2
189.06648	1.2
195.11391	21.2
203.08301	28.2
205.13460	1.0
209.11794	0.9
214.09900	1.0
215.67392	0.5
220.10944	38.4
221.09341	10.3
222.12518	2.7
222.16173	0.9
223.14636	2.7
235.76099	0.6
238.11981	9.6
240.17255	0.9
242.11803	1.0
257.13080	1.3
259.14514	4.7
267.15894	2.3
289.13507	14.2
290.18848	0.7
334.17798	1.1
350.15158	3.0
351.20483	0.7
363.61694	0.6
463.23389	2.3
528.26337	1.3
685.33691	100.0
686.33539	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14236	1.2
61.98833	2.6
79.80717	1.5
79.85644	1.4
80.21611	1.4
85.95614	1.5
93.03461	18.1
108.02181	7.4
109.02914	1.7
119.05042	7.4
123.04533	1.8
133.02998	4.9
134.03740	100.0
135.04535	2.7
149.06067	40.0
151.04004	2.7
163.20361	1.8
174.17113	1.4
239.07199	12.2
249.05461	1.6
251.07170	8.9
253.08728	3.0
255.02904	3.6
255.06662	1.9
266.05942	1.8
269.04736	2.3
277.05017	1.7
279.02963	2.5
318.09479	1.8
321.07489	2.7
341.08264	9.7
344.07141	1.8
355.09741	8.9
357.07645	2.0
368.07254	1.8
369.07724	19.1
383.09253	3.1
385.07141	3.3
387.08804	7.7
397.76315	2.0
401.10614	17.3
409.63879	1.5
413.10477	2.8
415.11887	2.9
431.11127	3.2
457.12979	2.0
507.14575	11.4
535.14136	28.6
549.15967	2.0
657.21191	2.1
685.20880	84.0
685.32526	3.1
708.83386	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	34.0
62.13272	0.8
65.00336	4.3
71.01414	1.2
73.64228	0.9
83.01420	2.1
85.06601	10.7
87.00306	0.9
87.00854	1.3
92.10191	1.3
107.01411	6.0
107.25426	1.0
113.02457	1.1
113.06100	10.2
124.01651	1.5
125.02453	12.8
131.07144	100.0
132.86575	0.9
135.62065	1.0
151.00383	24.3
151.04031	5.8
152.01181	7.2
166.02745	4.8
167.03537	2.2
169.01448	1.4
173.08209	29.4
175.00288	1.3
175.07484	1.4
177.01997	1.1
178.99869	13.2
193.01495	2.0
215.03360	3.5
273.04306	1.3
301.03662	13.1
319.04657	2.1
339.07175	3.9
370.10257	1.2
447.08957	1.5
465.10599	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	683.257
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74770	0.2
53.67059	0.2
59.01390	1.2
59.38519	0.2
63.34742	0.2
68.99631	0.2
69.44083	0.2
71.01357	0.2
71.35668	0.2
87.00871	4.8
87.01373	0.3
91.01929	0.4
92.10780	0.4
92.41348	0.2
93.03473	1.1
106.04250	2.8
107.05042	17.5
108.02194	1.4
121.02950	3.2
131.05058	0.4
132.05742	0.2
133.06601	9.6
134.03751	0.5
135.04527	3.5
142.81799	0.2
149.06094	23.8
151.04073	0.3
161.02373	0.3
177.05589	30.4
179.03513	45.8
189.01706	0.2
195.06636	3.9
221.04453	1.7
239.05643	100.0
240.05951	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.184
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17499	1.1
53.00317	1.1
54.83518	1.0
55.01894	6.6
57.03451	11.2
59.01385	23.2
64.91708	0.9
67.01909	2.4
69.03465	7.6
69.18304	1.1
71.01376	21.4
71.01711	1.1
72.99293	3.6
73.02948	14.8
81.03473	2.5
83.01379	8.5
85.02953	93.2
85.06004	1.1
87.00874	100.0
92.85780	1.2
95.01395	24.0
97.02952	34.4
99.00903	1.4
99.04505	2.2
99.07987	1.1
101.02441	1.9
103.04001	7.9
109.02959	4.5
111.00887	29.3
113.02454	48.7
113.03240	1.6
115.00388	16.9
115.04010	2.1
125.02471	2.2
127.04016	5.8
129.01945	2.5
139.00389	19.6
155.03491	2.8
157.01445	18.8
173.04536	6.4
175.02477	27.0
181.20728	1.2
191.01965	5.3
194.39807	1.1
199.02498	4.3
202.21307	1.2
215.20076	1.1
217.03522	21.7
259.04428	1.3
285.06192	1.6
303.07309	15.0
321.08133	2.0
345.08350	12.1
363.09354	4.5
479.10657	1.5
521.11591	18.8
581.13684	7.6
625.16089	8.0
667.17493	14.1
685.18335	20.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.9
59.01389	39.6
62.34167	1.2
63.40622	1.3
69.03477	7.1
71.01383	24.2
73.02963	5.5
83.01404	2.5
85.02979	6.5
87.00890	3.3
89.02450	26.3
92.66619	1.5
95.01379	1.5
95.65031	1.2
99.00894	1.5
101.02449	22.0
113.02469	7.7
119.03498	6.5
123.00754	1.3
125.02448	8.9
136.67128	1.5
141.74171	1.4
143.03542	1.9
149.02419	1.2
158.39992	1.3
161.04628	4.8
167.03502	1.3
167.10796	5.0
179.05528	2.2
179.14427	6.7
195.13924	18.7
205.12425	15.3
223.13440	100.0
235.08244	5.5
253.08751	15.1
285.04092	3.2
287.07779	1.6
336.84998	1.3
346.55933	1.3
397.13562	52.7
415.14563	28.5
596.70245	1.8
621.27655	31.5
708.51495	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	683.1476
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01404	4.6
60.99329	21.9
65.66388	0.7
87.00902	0.9
88.98815	100.0
101.02473	1.1
107.01430	1.6
109.06627	1.5
121.99036	0.9
125.02441	4.2
145.98799	0.9
154.29526	0.9
163.11314	1.0
164.64160	0.8
169.01477	1.7
187.04138	0.9
197.06142	1.0
199.03893	0.9
207.10338	3.9
211.03990	1.0
227.03539	21.7
229.05190	7.7
241.05144	1.1
255.03017	33.0
256.03714	1.9
257.04666	3.8
261.57977	0.9
284.03314	49.3
285.04077	52.1
322.05966	1.0
369.47992	0.9
593.05798	1.9
593.15253	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.8
59.70977	0.9
60.99308	24.3
61.28421	0.7
62.90660	0.8
69.10724	1.0
80.77572	0.8
83.80368	0.9
88.45240	1.0
88.98805	100.0
106.83900	0.8
125.02438	4.6
135.00856	1.0
151.00359	1.4
163.00357	1.4
169.01399	2.0
185.06104	1.1
187.03923	1.2
211.04008	1.4
227.03551	21.9
229.05055	7.0
255.03047	29.6
256.03891	1.3
257.04642	4.5
259.89612	0.9
270.65726	1.0
284.03305	44.6
285.04068	49.5
293.44785	1.0
309.27347	1.1
328.88751	0.9
417.11133	1.1
593.15216	58.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.1838
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98055	0.6
54.41794	0.6
54.83118	0.6
59.01385	32.4
61.54974	0.6
64.35052	0.7
65.00336	3.2
65.33687	0.7
66.15738	0.7
66.87692	0.7
69.85822	0.7
81.35317	0.7
83.01400	1.1
85.06585	8.3
86.46700	0.7
97.11019	0.6
107.01395	6.0
108.54768	0.7
113.06094	13.6
123.00922	1.2
124.01647	0.9
125.02423	5.2
131.07141	100.0
132.07481	0.8
149.02478	1.5
151.00383	23.9
151.04016	4.4
152.01183	10.3
153.01917	0.7
155.10440	0.6
166.02733	6.8
167.03525	3.8
169.01382	1.0
172.02945	0.8
173.08215	26.0
175.00412	1.4
178.99873	10.5
187.04034	1.1
192.00658	1.7
193.01469	4.0
215.03488	3.8
255.03162	0.8
283.02469	1.1
301.03635	11.7
303.90268	0.7
313.09244	1.1
318.04077	1.4
319.04617	1.2
339.07159	2.6
387.51492	0.7
432.69434	0.8
465.10428	12.2
653.66693	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44488	6.0
61.98846	6.2
78.11470	7.6
93.04699	6.5
110.56064	8.6
116.92923	9.9
150.06870	32.3
179.10725	9.6
209.66341	8.4
214.24185	8.4
254.91365	8.1
479.37656	100.0
495.64029	7.8
641.42688	13.5
677.40485	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
56.56104	2.7
57.97469	2.9
59.11158	3.2
61.98854	7.7
68.98161	3.6
78.95906	29.9
127.11330	9.3
130.01761	3.7
135.03438	3.8
140.01224	14.5
176.21455	3.8
193.25557	3.5
196.03859	8.5
201.11357	80.0
209.11873	76.5
227.12964	4.9
255.23329	93.3
267.24774	3.7
662.40350	14.7
680.41510	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	681.1682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.89730	0.5
56.87645	0.6
57.03454	18.5
59.01384	6.8
61.84141	0.7
65.55613	0.6
71.01387	2.8
72.99324	3.6
73.02962	8.9
74.84355	0.7
83.01398	4.0
85.02943	10.5
87.00853	6.2
89.02446	0.7
101.02436	15.4
103.00375	12.7
107.61470	0.7
111.00901	4.2
115.00376	4.0
117.03468	1.0
119.03490	2.7
119.05036	2.6
123.04630	0.7
125.02455	1.1
127.00368	5.6
129.01923	3.4
133.01414	2.7
133.02948	3.6
134.03757	8.7
135.04529	69.2
137.02499	1.0
139.92059	0.6
141.70404	0.7
145.01443	17.6
147.02931	5.2
149.00926	17.2
149.06119	1.2
151.03850	0.8
161.02449	1.0
163.02499	100.0
163.03952	3.6
168.88078	0.7
177.01900	1.1
178.02646	1.1
179.03503	50.4
187.02475	1.0
193.05092	8.8
205.03493	3.8
223.04582	8.9
244.34088	0.7
300.49997	0.7
311.04034	0.9
325.01953	0.9
325.05716	19.1
372.39877	0.7
591.01996	0.8
598.09918	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42854	0.7
54.32014	0.6
54.55399	0.5
54.58524	0.5
57.03461	0.8
58.16633	0.6
59.01389	24.6
60.50234	0.6
65.00339	1.3
68.84767	0.6
68.99837	0.6
69.99798	0.6
75.56828	0.6
82.81205	0.6
85.02969	3.0
85.06602	8.6
102.92193	0.7
107.01427	1.7
113.06080	7.3
116.92912	1.0
119.05038	13.4
125.02447	2.9
131.07135	72.8
132.30553	0.9
137.02452	3.5
151.00378	9.9
152.01122	0.7
156.34000	0.6
157.02963	1.0
159.04518	1.2
161.02437	3.3
163.00397	1.2
163.04031	21.4
164.01141	8.7
169.01445	1.6
171.04559	0.9
173.08199	20.3
175.03969	1.5
177.01884	1.4
178.99841	3.0
179.03593	0.8
183.04512	1.4
189.01929	0.8
193.01398	0.8
199.03992	4.4
201.01965	8.7
203.03539	8.4
215.03415	0.8
227.03535	7.8
231.03029	8.2
243.03044	5.1
247.85222	0.7
255.03015	7.0
271.02509	92.0
272.02853	0.9
287.02441	0.7
299.01993	100.0
300.02505	1.5
305.88425	0.9
316.02310	8.6
317.03033	1.3
399.50748	0.7
463.08875	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	675.3906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62172	15.0
59.01387	16.5
64.34264	16.7
92.10783	14.8
125.02480	25.2
150.06772	18.3
153.04984	16.8
179.73073	17.4
183.13908	17.4
209.11911	30.9
211.37801	16.7
477.36005	83.4
675.38788	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.2958
Annotation	Unknow
Peak:m/z	Relative Intensity
56.53215	12.7
56.69395	11.4
61.98858	13.3
68.71849	13.3
71.51656	12.8
76.55139	12.8
99.89796	15.0
116.92842	100.0
118.47259	14.1
131.02882	16.0
197.11873	32.0
207.10126	17.0
209.11896	22.3
303.06064	14.8
487.24023	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64415	55.7
59.01375	86.9
61.77890	54.8
66.40297	65.7
69.98839	55.0
71.51133	53.9
78.91476	57.7
83.12666	53.8
84.65451	60.4
99.66810	66.7
113.82237	69.3
125.02377	62.0
127.57860	54.9
201.51802	71.5
211.13388	100.0
312.00739	75.4
584.38263	73.6
600.18591	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.86266	0.6
58.73033	0.7
59.01378	6.7
71.01403	4.3
80.02685	1.0
81.03494	1.2
83.05050	5.1
84.02161	1.2
85.02953	0.9
88.98828	1.5
89.02461	3.5
101.02446	1.9
113.02555	1.5
115.00503	0.9
127.11304	4.6
153.09196	1.0
163.11317	4.8
165.12866	1.9
169.12311	0.9
171.10281	100.0
182.17941	0.8
191.10863	0.9
197.11934	1.1
209.11867	92.5
210.12297	1.0
227.12961	8.3
235.08345	3.1
241.18524	0.8
253.09286	8.2
321.69800	0.8
407.19473	1.3
445.20895	1.3
609.53723	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3243
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	2.0
58.46351	2.4
59.01401	16.8
64.11514	2.6
71.01403	13.6
83.05021	4.7
87.00881	3.0
87.03783	2.5
89.02489	2.8
101.02473	5.9
125.02428	2.8
125.09689	4.3
163.11375	3.8
167.10757	4.0
169.12274	3.5
171.10414	2.9
185.11838	100.0
199.13570	2.8
207.10283	3.2
209.11868	83.4
210.12204	5.1
227.12895	13.3
253.09067	3.9
347.26373	2.6
408.79755	2.7
481.41638	3.3
498.83344	3.5
672.18835	2.9
675.32520	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	675.3244
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98155	1.3
54.16445	1.4
57.03463	2.6
57.23121	1.4
59.01381	17.0
65.23625	1.7
71.01385	10.4
78.54839	1.4
81.03490	2.5
83.01417	2.0
85.02932	1.8
87.00860	2.4
88.98830	4.3
89.02460	6.1
95.01329	1.8
97.02935	3.9
97.06592	8.1
101.02430	7.1
109.02931	1.9
109.06588	19.3
113.02431	3.7
116.92864	2.1
125.02409	2.0
135.08105	2.6
142.02664	2.0
147.55292	1.7
151.11292	23.9
161.04506	1.9
163.11281	10.8
169.12357	100.0
169.13806	3.7
171.10265	12.7
181.12289	3.6
185.11852	2.0
197.11792	8.8
207.10303	37.4
209.11899	15.8
210.12064	2.8
211.13412	3.6
213.11322	15.7
225.11374	16.2
227.12820	1.9
235.08286	1.8
253.09290	9.1
359.22260	2.4
377.23611	1.8
427.07446	1.8
431.19131	3.7
449.20285	16.4
461.20486	6.6
541.41351	2.3
657.31396	19.9
677.42572	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	675.3602
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14282	0.8
51.54125	0.8
55.01889	1.6
57.03468	3.5
59.01392	63.8
61.93677	0.8
69.03480	2.0
71.01393	38.1
71.01769	1.6
72.99323	1.8
73.02953	7.4
75.00906	1.4
78.95924	1.7
81.03488	1.6
83.01422	6.1
85.02967	11.5
87.00886	8.9
89.02455	31.3
93.03491	1.3
95.01415	2.1
97.02948	7.1
98.37923	0.9
99.00919	1.9
101.02460	30.5
101.03094	1.4
104.76216	1.0
111.04564	0.9
113.02458	12.7
119.03497	8.0
125.02461	12.6
131.03516	1.1
133.05220	0.9
143.03529	6.0
149.04570	1.1
161.04556	7.4
167.03560	1.1
179.05678	4.6
221.06746	1.9
235.08278	12.6
252.73734	1.0
253.09314	2.2
277.21774	100.0
287.07840	1.6
305.08887	3.5
397.13577	63.2
415.14618	23.4
596.68408	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10325	2.3
57.03473	2.6
59.01388	68.5
61.98851	12.4
68.51635	3.0
69.03462	4.0
71.01395	43.5
85.02968	6.4
87.00896	6.8
89.02441	32.4
97.02966	6.8
99.00890	5.8
101.02452	28.5
113.02481	20.1
119.03532	5.6
125.02449	6.1
154.03979	3.2
179.05698	4.2
221.06807	3.4
221.58781	3.0
235.08234	12.1
277.21777	100.0
374.61258	3.8
387.09647	3.3
397.13608	74.0
415.14468	28.2
477.19943	3.3
567.28448	4.2
645.10126	4.0
674.99591	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	675.1032
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03446	1.1
59.01379	0.3
71.07077	0.2
79.95748	2.3
85.02947	1.6
87.00887	0.2
96.96009	100.0
98.95609	0.4
100.98309	0.2
109.02932	0.9
119.05030	0.3
123.04528	0.3
125.02435	3.2
126.05624	0.5
129.01985	0.3
135.04507	1.2
137.02480	0.5
149.00899	0.4
151.03984	0.4
158.08232	0.3
160.01537	0.2
161.02417	0.8
161.05905	0.2
179.03471	0.9
203.07146	0.3
205.03488	0.5
223.04625	1.2
230.10257	0.3
239.05637	0.4
245.08237	0.4
289.07236	1.6
333.21646	0.2
369.08264	0.2
407.07864	1.8
425.08817	1.0
451.10291	0.4
463.03613	0.3
577.13715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.1946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30275	0.3
59.01393	1.6
64.34199	0.2
71.01393	1.6
76.58009	0.3
83.01384	0.5
85.02981	0.4
87.00889	0.4
89.02437	0.6
93.03471	0.4
96.96007	1.3
101.02426	0.4
113.02454	0.4
117.03471	34.4
119.05030	12.2
121.02976	0.3
125.02434	1.2
133.06616	1.1
133.41769	0.3
145.02969	100.0
146.03307	0.7
159.04498	0.3
161.06119	1.7
163.04037	12.2
177.05582	0.4
179.29552	0.3
187.04088	0.5
205.05075	1.2
206.00363	0.4
235.06090	0.4
250.83887	0.3
265.07269	1.5
289.07095	0.4
307.08344	1.4
308.86502	0.3
453.12036	0.7
469.13690	1.5
487.14682	2.5
511.14566	3.2
529.15979	2.3
633.18347	5.5
675.19342	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	673.446
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72195	72.8
60.01626	80.4
65.23432	79.7
66.05721	83.1
80.57940	92.8
83.81242	89.5
114.40517	100.0
119.16280	86.2
120.45617	90.2
126.32801	83.9
162.04002	85.2
186.82268	91.2
254.77724	99.9
430.43869	92.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.9948
Annotation	Unknow
Peak:m/z	Relative Intensity
55.46642	1.6
55.48363	1.3
55.90703	1.2
57.03455	1.9
59.01395	69.0
59.01694	3.0
67.27528	1.2
71.01400	3.5
73.02943	5.4
85.02957	22.6
86.13138	1.3
87.00877	27.5
92.10029	2.7
97.02942	1.7
113.02444	13.0
121.22376	1.5
157.01340	2.1
158.33957	1.4
173.04517	1.4
174.99251	35.1
175.02490	7.4
201.02638	7.2
217.00316	100.0
231.76831	1.7
240.80469	1.7
341.42938	1.5
359.01474	6.2
374.99329	37.9
427.56354	1.6
532.98108	7.0
605.93640	2.0
616.00140	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	673.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62405	0.8
55.01890	1.3
56.62031	0.9
57.03479	1.4
58.00601	2.0
59.01386	21.5
64.10841	0.9
69.36250	1.1
71.01385	64.0
73.02959	4.2
78.78184	0.9
78.95917	13.0
80.02673	1.3
81.03461	4.8
83.01429	1.4
83.05041	5.9
84.02198	1.1
85.02978	4.3
85.06609	4.5
85.47128	0.9
87.00887	1.9
88.98802	1.2
89.02459	6.4
90.51671	0.9
95.05040	1.4
96.96989	1.2
97.02970	5.1
99.00884	1.8
101.02457	9.0
103.16246	0.9
106.74459	1.0
109.06619	22.5
110.03777	1.4
113.02485	2.2
116.05584	1.0
121.06590	1.9
123.08110	1.2
125.02355	1.1
125.09740	2.0
127.11297	1.2
129.02026	1.2
131.07115	12.7
135.08173	4.5
142.02711	1.3
152.99590	12.9
161.04594	1.6
161.09805	2.1
163.11284	17.2
165.12827	1.8
171.10294	6.7
181.12378	5.1
183.13921	12.4
193.12386	4.5
197.11938	1.2
199.09714	1.4
199.13374	10.6
201.11392	4.9
207.10294	49.3
209.11862	52.8
211.13437	100.0
225.11360	26.3
227.12894	28.1
235.08258	4.2
241.82051	1.2
247.20586	1.0
253.09282	10.6
291.19641	5.2
316.45581	1.1
330.24924	1.0
339.23227	2.2
346.94476	1.0
363.12128	1.8
369.73953	1.2
373.23758	1.5
383.22296	2.3
391.25522	1.1
401.23441	7.0
407.45462	1.1
410.49313	1.2
415.15039	1.3
419.24307	4.4
443.19290	1.5
445.20050	1.7
461.20499	8.1
463.21472	2.3
514.05115	1.2
637.32135	2.2
655.33557	9.2
656.34131	1.6
673.33630	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	673.4182
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80502	0.4
57.03452	1.0
57.17545	0.5
59.01394	1.3
71.01380	0.5
73.02970	0.8
92.10822	0.9
96.96004	0.9
99.04501	1.0
109.02973	1.0
123.04522	1.2
125.02438	6.3
135.08179	0.5
137.02457	2.6
137.06136	0.8
149.06087	13.0
150.06871	92.4
151.00505	0.6
151.07687	1.0
161.02441	0.8
163.03999	0.7
163.07671	14.2
164.07051	0.8
164.08429	17.6
165.01872	0.6
176.08441	2.2
178.09981	4.4
179.10782	55.1
180.23033	0.5
211.43066	0.7
221.18449	0.5
255.03148	0.6
289.07220	1.3
297.87115	0.6
372.24265	0.7
478.32831	2.0
493.35513	2.5
496.34131	16.5
510.35507	6.5
511.36459	100.0
512.36902	1.0
599.05383	0.6
673.41614	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	673.3451
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00575	2.2
59.01386	9.0
62.93734	0.6
64.57867	0.6
71.01381	5.3
73.02944	0.9
80.02715	1.5
80.98279	0.6
81.03465	1.0
83.01387	1.4
83.05050	6.3
84.02180	3.1
85.02993	2.9
87.00904	1.1
89.02457	4.4
95.05035	1.4
101.02450	5.0
103.20303	0.8
113.02448	1.6
113.10361	0.7
125.02436	1.5
125.09717	0.9
132.36913	0.7
135.08142	1.1
150.06874	6.0
153.12875	1.1
155.14436	0.8
161.04681	0.9
162.06863	1.5
163.07639	0.8
163.11354	8.1
164.08440	1.3
165.12865	6.0
171.10258	1.6
177.09201	0.9
179.10762	2.8
181.12384	1.7
183.13849	1.8
191.10715	1.2
199.13422	30.1
207.10275	1.3
209.11862	100.0
210.12280	1.7
227.12926	69.7
229.14503	1.1
245.13898	1.5
247.13361	1.5
253.09200	5.7
350.95023	0.7
400.78235	0.7
401.23444	3.2
419.24539	3.2
445.20822	2.7
463.21860	8.0
511.36447	7.0
637.32568	4.8
655.33228	4.2
673.33661	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	673.3454
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00336	1.2
55.01889	1.1
55.12622	0.5
55.87161	0.6
58.00610	1.3
59.01386	16.3
59.01658	1.1
60.62391	0.6
61.19131	0.6
69.03491	0.8
71.01383	57.1
73.02981	1.2
73.08794	0.7
73.40173	0.8
78.95918	1.6
80.02706	1.0
81.03474	0.7
83.01398	0.7
83.05048	4.0
85.02962	3.2
87.00862	1.5
89.02473	4.3
94.56911	0.7
95.01458	0.9
97.02929	5.2
97.06605	1.1
99.00874	1.2
101.02432	7.9
101.21960	0.8
109.06602	13.0
110.03779	1.2
113.02467	4.9
116.34078	0.8
119.03606	1.0
119.65934	0.7
121.06603	1.4
125.09740	0.9
135.08170	3.8
136.05316	1.1
142.02744	0.9
145.05162	0.9
161.04559	1.5
161.09813	1.1
163.11290	12.5
165.12885	1.7
167.10811	0.8
171.10316	6.7
179.05666	0.8
181.12337	4.6
183.13953	11.9
185.11902	3.0
189.17648	0.7
193.12399	3.2
197.11835	1.3
199.09764	0.8
199.13477	10.8
201.11366	3.8
207.10301	41.2
209.11874	34.8
211.13435	100.0
212.13776	0.8
225.11369	17.8
227.12941	22.8
235.08287	1.5
235.73061	0.7
243.12343	0.9
253.09326	10.2
262.07645	0.8
297.04288	0.7
311.47525	0.9
339.23257	0.9
351.60596	0.7
359.61823	0.7
373.23846	2.9
383.22232	3.0
391.24948	2.8
401.23386	4.3
409.30927	0.8
419.24689	3.5
419.56998	0.9
461.20535	5.2
463.21909	1.4
637.32721	3.3
655.33734	5.9
656.34442	3.2
673.34015	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	673.1638
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	1.2
57.40823	1.0
59.01383	5.2
69.03461	6.0
71.01383	6.6
76.58132	1.2
77.55385	1.0
81.03460	1.4
83.01385	2.8
85.02959	2.4
87.18790	1.1
88.98867	1.2
92.09997	1.3
95.01383	8.8
96.95996	1.7
97.02940	4.5
101.02464	1.8
101.59872	1.1
107.01374	2.3
107.15837	1.3
108.02186	1.2
109.02956	2.3
113.02493	1.2
121.02950	7.5
123.00906	28.5
124.01657	37.7
125.02451	74.1
130.83980	1.1
134.03737	1.4
137.02429	11.1
138.03235	6.7
139.04016	1.9
142.65585	1.2
149.99602	64.0
151.00352	8.2
151.97238	1.3
153.05588	4.9
160.47238	1.4
161.02545	1.5
165.01869	2.1
166.99837	11.6
167.03473	1.8
168.00658	100.0
169.01421	12.5
179.03474	2.1
180.62761	1.4
181.01381	2.7
182.02219	8.4
183.03004	1.9
197.04604	21.5
287.15042	1.5
313.05646	4.6
326.06409	1.7
327.07217	2.0
331.06598	1.6
341.08786	7.2
493.09915	5.6
496.43701	1.3
511.10880	20.5
673.16357	81.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83058	0.1
55.01882	0.2
59.01384	2.5
65.94043	0.1
71.01382	1.7
71.82880	0.1
73.02962	0.2
80.02675	1.7
81.03460	1.3
83.01381	0.2
83.05032	4.9
84.02164	1.5
85.02982	0.4
87.00894	0.2
89.02441	1.3
94.14618	0.1
95.01408	0.2
95.05035	0.8
101.02460	1.6
113.02460	0.7
125.06087	0.4
125.09727	0.2
135.08165	0.8
161.04539	0.4
163.11292	5.0
165.12862	3.1
171.10323	0.9
181.12317	0.6
191.10770	1.5
204.85942	0.2
209.11868	100.0
210.12196	1.1
227.12926	9.8
228.19460	0.2
235.08290	1.0
242.02406	0.2
247.13345	0.4
253.09314	4.2
401.23657	0.2
445.20886	0.3
637.32477	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83659	0.6
57.03488	0.6
59.01397	1.2
61.98821	0.9
65.00339	0.8
83.01407	1.5
105.60591	0.8
107.01434	3.2
108.09415	0.8
109.02995	1.6
110.02628	0.6
113.46929	0.6
125.02441	3.3
126.76678	0.8
149.00896	0.9
151.00391	11.1
151.04004	0.7
163.00255	1.2
169.01459	3.2
177.26306	0.7
178.99872	3.6
209.11900	1.1
226.02840	1.4
227.03482	1.5
235.81984	0.8
243.03027	10.6
245.04356	1.0
254.02310	2.8
254.05176	0.8
255.00423	1.6
255.03036	30.1
255.05682	1.4
271.02539	60.7
272.03394	2.7
279.44620	0.7
300.02805	100.0
301.03552	20.7
473.90106	1.0
609.14740	71.8
610.14917	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	671.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18450	0.4
57.85341	0.4
59.01397	0.4
71.01409	0.7
73.02945	1.8
75.06416	0.5
85.02972	0.6
87.00882	0.6
89.02484	0.5
99.04526	1.7
113.05990	0.4
113.09734	0.8
123.08160	0.6
125.02431	0.9
126.60033	0.4
135.08151	0.8
136.05276	0.7
149.06149	3.6
150.06880	75.2
151.07603	0.5
161.09708	1.0
162.06885	0.6
163.07637	9.4
164.08443	12.9
176.08478	1.0
178.10030	3.1
179.10793	48.9
182.71684	0.5
185.93654	0.5
216.13687	1.8
223.04765	0.6
306.18463	3.4
317.33005	0.6
321.20749	2.7
350.20929	0.9
354.16724	0.5
369.02661	0.5
427.66614	0.4
465.58411	0.5
491.33948	2.0
494.32532	6.2
508.34100	2.9
509.34918	100.0
510.34918	1.7
551.97607	0.6
566.22260	0.5
671.40302	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	671.4025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64589	1.1
58.62086	1.2
59.01402	6.1
99.36226	1.4
113.40058	1.6
123.04564	2.1
123.08132	1.6
135.04515	2.5
149.06097	8.1
150.06873	82.7
163.07726	11.5
164.08429	15.0
164.70549	1.5
177.09290	1.7
178.10011	3.3
179.10789	59.6
193.05051	2.5
209.11879	6.7
219.34627	1.4
225.11331	2.5
254.51662	1.6
319.38550	1.4
321.20844	2.9
405.43826	1.5
494.32513	6.3
508.33896	2.4
509.34882	100.0
633.76672	1.7
671.40692	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	671.3297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90183	1.7
58.50809	1.8
59.01392	4.7
59.27539	1.7
61.30667	1.8
61.98853	7.6
70.60149	1.8
71.01386	10.3
78.95901	2.4
83.05031	3.5
88.25439	1.9
89.02463	2.2
101.02448	4.0
105.32826	1.7
109.06595	4.0
113.02454	2.2
125.09675	2.6
135.75883	1.7
163.11314	15.1
181.12431	2.4
207.10309	16.7
209.09863	3.4
209.11867	100.0
225.11336	38.5
227.12883	4.0
235.08162	3.3
253.09344	4.9
379.50885	2.4
443.18781	2.5
461.20441	3.0
529.33673	2.3
562.63989	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	671.2691
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01400	14.6
54.82998	19.5
55.91234	14.3
57.30206	15.9
59.01390	29.7
119.95171	16.4
127.07135	18.1
136.67072	16.6
139.67136	16.9
141.91527	18.0
164.76936	16.6
168.09639	17.4
169.43913	17.1
243.25792	17.6
421.18964	20.5
470.72141	19.3
506.60727	18.0
587.75928	21.8
671.26733	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	671.3302
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	12.2
67.27710	1.0
67.81588	1.0
71.01398	6.1
80.02687	1.4
81.03490	2.5
83.01443	1.4
83.05048	6.6
85.02972	4.3
87.00909	1.4
89.02466	2.3
93.03505	1.0
95.05050	4.7
97.02966	7.6
97.06627	1.4
99.00914	1.6
101.02449	7.0
109.06596	20.5
110.03799	1.7
113.02495	4.4
121.06596	1.8
123.08117	1.1
125.02411	1.9
125.06056	1.5
125.09742	5.3
131.37811	1.0
135.08165	4.7
136.05267	1.6
142.02759	2.0
163.11301	22.2
165.12851	1.8
171.10239	6.1
179.10825	1.1
181.12367	8.3
185.11847	1.6
189.09254	1.4
207.08315	1.6
207.10306	62.7
209.11871	100.0
210.12230	1.1
221.11934	1.3
225.11394	52.5
227.12871	9.4
227.52470	1.2
235.08400	2.5
253.09366	8.1
264.27008	1.1
399.22043	2.2
417.22845	2.4
461.20490	12.0
496.13202	1.0
497.18402	1.1
635.30713	5.1
653.32202	12.9
671.33112	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	671.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.9
55.78528	0.6
57.03473	0.9
59.01390	14.9
69.03500	0.9
71.01402	6.2
73.02972	1.3
80.02708	3.1
81.03487	3.2
83.01407	0.8
83.05035	9.5
84.02178	1.9
85.02979	1.9
87.00868	1.0
89.02471	4.4
92.10743	1.3
93.03477	1.1
95.05043	0.9
97.02940	7.4
101.02463	5.3
109.06603	30.3
110.03730	3.3
113.02489	1.7
121.06580	3.3
123.08130	0.9
125.06102	0.9
125.09740	1.4
134.34816	0.8
135.08151	6.4
136.05315	1.6
142.02739	1.2
161.04616	0.9
161.09714	3.2
163.11295	23.6
165.12756	2.6
171.10255	4.1
181.12381	7.5
185.11880	1.7
191.10806	1.9
207.10292	78.5
208.10669	1.0
209.11861	100.0
216.47234	0.8
225.11346	34.8
227.12906	8.5
235.08214	1.0
249.11523	0.9
253.09349	6.9
263.12943	1.4
370.86063	0.9
399.21802	5.4
417.22772	3.8
443.18820	1.1
461.20490	8.6
509.97662	0.8
635.30701	9.1
653.32214	11.2
671.33014	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	669.314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.54505	3.9
59.01385	25.0
61.98856	4.9
65.03976	3.9
71.01379	9.6
81.49242	4.6
83.01324	4.8
95.05044	6.4
97.02921	6.4
101.02398	5.7
109.06615	45.7
116.20108	4.4
121.06555	4.4
125.09760	11.1
135.08180	7.9
152.09906	5.4
153.61719	5.2
163.11258	33.1
164.69177	5.0
207.10291	100.0
209.11884	22.5
225.11359	47.3
235.08444	7.4
342.39948	5.5
461.20331	6.9
607.27979	8.5
625.28748	11.4
633.29895	7.0
651.30157	53.7
669.31366	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.3507
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95119	1.3
54.73632	1.6
57.03455	2.8
57.35706	1.4
59.01394	11.6
61.98842	2.6
67.55178	1.5
67.61795	1.6
68.41360	1.4
69.03468	2.6
71.01395	7.1
72.78939	1.5
80.02688	2.0
83.05057	5.9
84.77940	1.7
89.02443	3.2
95.67283	1.6
101.02461	3.2
109.84251	1.5
114.40202	1.9
119.00280	1.5
125.02413	2.7
160.30907	1.7
163.11279	3.1
165.01994	2.2
167.10756	3.2
169.01447	8.1
179.10846	1.7
179.14407	4.2
191.10817	2.0
195.13919	12.2
205.12460	12.9
209.11850	88.0
223.11267	3.8
223.13425	100.0
227.12892	10.2
235.08293	2.1
253.09300	7.8
459.22452	9.7
481.22220	2.0
649.99561	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	669.3875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	43.4
60.80798	1.7
61.98852	7.3
70.74846	1.6
74.96147	1.7
83.05029	3.9
103.32955	1.9
125.09761	2.3
153.09190	3.1
163.11281	4.0
165.12827	2.6
171.10291	8.1
185.11848	1.9
191.10864	1.9
207.02603	1.8
209.11868	100.0
209.43028	1.9
227.12917	11.5
289.18045	7.5
307.19162	20.4
325.19983	13.6
367.13776	2.2
504.27621	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	666.2415
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02987	18.3
58.03279	0.7
59.01387	0.4
70.02988	7.7
71.01398	0.6
71.05172	0.4
72.00912	5.2
74.08942	0.3
88.04136	0.4
91.05544	6.7
93.08966	0.4
93.55467	0.4
95.61934	0.4
110.16071	0.3
113.01702	0.4
115.92709	0.4
120.33491	0.4
135.04555	0.9
147.04539	35.0
162.09230	0.8
164.07195	88.4
206.08266	100.0
213.24751	0.4
237.60812	0.4
250.07146	0.5
496.43948	0.5
541.15338	0.4
609.85114	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	669.299
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28832	1.6
55.30050	1.9
56.71268	1.8
59.01387	37.4
61.52840	1.8
71.01374	18.4
71.93131	1.9
83.01421	2.9
85.02978	2.5
87.00867	2.9
89.02451	13.3
92.10824	3.2
101.02476	16.4
101.60412	2.6
102.98302	1.8
113.02456	8.7
119.03471	3.2
121.82407	1.9
123.10168	2.1
124.54265	1.9
125.02450	12.2
143.03545	2.3
149.06006	2.1
156.97717	1.9
183.13867	8.3
211.13432	100.0
223.51445	2.4
235.08195	3.3
315.82159	2.0
368.32477	2.4
397.13568	36.0
415.14606	17.7
427.83423	2.2
609.27637	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	665.1737
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	4.9
59.01390	1.8
65.84151	0.3
66.84476	0.3
71.01382	0.5
72.99308	9.0
72.99686	0.4
73.02960	1.9
83.01411	0.4
84.00294	0.3
85.02958	27.9
92.10776	0.4
96.96004	0.6
101.02457	3.7
103.04019	1.9
105.03477	0.6
107.05042	1.2
117.03464	0.4
119.04984	0.7
120.18601	0.3
125.02483	0.7
129.01942	14.2
130.40109	0.3
133.02951	5.4
134.03748	5.4
134.45445	0.4
135.04526	56.5
147.03004	100.0
148.03363	0.4
159.21400	0.3
161.02399	0.4
161.08191	0.7
163.04031	0.8
177.01952	2.0
179.03502	39.2
223.04628	0.5
309.06268	2.8
349.03946	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12579	0.1
59.01386	0.7
64.48920	0.1
71.01384	15.2
72.99315	2.3
85.02957	0.2
87.00890	0.8
89.02438	2.2
92.10206	0.2
111.48741	0.2
113.02449	0.2
115.00381	40.4
119.05031	37.0
120.05441	0.2
123.32063	0.2
125.02463	0.4
133.01439	100.0
163.04019	34.1
203.92303	0.2
237.75734	0.2
249.34906	0.2
279.05139	4.5
369.59314	0.2
394.16800	0.2
621.26288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53357	0.1
58.15304	0.1
59.01389	0.3
66.18169	0.1
71.01386	15.8
71.25206	0.1
72.99311	2.4
87.00885	0.8
87.16138	0.2
89.02434	2.0
97.08141	0.2
115.00369	41.0
119.05021	39.0
125.02427	0.7
133.01431	100.0
160.38669	0.1
163.04016	36.9
164.04355	0.3
190.94162	0.2
194.88556	0.2
267.80042	0.2
279.05096	5.0
311.49719	0.2
373.75964	0.2
410.19003	0.2
508.60278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2155
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27407	0.4
55.01900	0.8
57.03464	2.0
58.00609	0.7
58.64006	0.4
59.01389	64.7
64.34959	0.6
65.42195	0.5
71.01384	30.7
72.55074	0.5
72.99327	1.0
73.02956	1.1
83.01402	2.4
85.02965	7.8
87.00864	0.8
89.02447	34.6
95.01411	3.3
97.02966	0.9
99.00877	0.6
101.02451	21.3
101.03094	0.9
109.02981	3.2
113.02459	13.9
115.04035	1.1
119.03507	17.5
119.23919	0.5
123.04555	1.2
125.02458	2.0
129.01886	1.1
131.03491	0.9
133.02965	4.2
135.04517	2.0
137.02426	1.1
143.03554	0.9
149.00977	0.9
149.02487	0.5
151.04033	1.0
159.02985	4.3
159.08046	0.5
161.04570	0.7
161.08199	0.6
163.04016	2.0
164.08466	3.5
165.08763	0.9
167.03520	0.7
177.01959	11.1
177.04073	3.3
179.03514	1.0
179.05663	0.7
241.95609	0.7
245.08240	0.7
289.07208	6.6
323.13538	100.0
324.13797	0.8
339.07263	2.9
371.13596	0.6
372.14005	0.7
373.11139	1.1
373.15341	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.1158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32975	1.2
57.03461	2.6
59.01372	2.5
60.66779	1.2
87.00876	96.8
102.72256	1.6
109.02982	6.2
123.04552	2.7
125.02453	27.1
131.53647	1.6
132.74446	1.7
135.04509	1.6
137.02415	8.6
143.05038	2.2
145.02989	6.8
145.08757	1.7
146.03729	2.8
159.04506	11.5
160.05319	3.1
161.06096	7.2
165.01964	6.3
169.85478	1.9
171.04547	2.6
173.06142	2.1
174.03204	15.5
185.06107	2.7
187.04044	7.1
188.04829	41.5
189.05603	68.5
197.06081	7.5
199.04056	18.6
201.05597	1.7
203.07185	3.3
205.05168	1.9
213.05573	3.2
215.03503	3.5
217.05104	100.0
225.05646	10.8
227.03546	12.9
231.03180	1.7
231.06786	1.5
241.05203	13.0
243.03017	1.7
245.08276	1.9
253.04935	2.1
255.06717	2.4
259.06155	2.5
261.04056	35.3
267.03250	1.6
269.04694	11.4
271.02496	7.9
271.06122	6.8
287.05646	6.5
289.07111	8.3
313.03665	12.4
321.07739	3.0
331.04691	1.6
349.05573	2.3
365.06714	2.5
383.07666	2.5
390.16959	1.5
393.04697	63.4
562.34705	1.6
605.09222	2.8
629.09686	1.9
665.11578	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.2157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75486	0.4
58.70266	0.4
71.01419	0.9
82.04832	0.4
85.02980	0.8
105.82121	0.4
110.00123	3.4
113.02476	1.0
122.02325	0.4
123.04520	0.8
124.01654	1.0
125.02446	4.0
135.04562	0.4
136.01605	0.4
137.99599	5.3
139.00385	1.8
148.01720	0.5
149.00917	1.8
151.00386	0.5
152.01178	4.4
153.01950	100.0
154.02766	3.2
155.03615	1.6
161.04561	1.9
163.04042	1.8
165.45193	0.5
166.02689	0.7
167.03514	9.7
168.04291	41.6
169.05070	7.7
171.52953	0.5
189.01897	0.5
191.03485	0.9
206.45657	0.5
211.05898	0.5
213.56001	0.5
219.13419	0.5
244.23599	0.5
299.07587	0.5
322.71967	0.4
331.10391	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	8.2
60.13186	4.9
61.98830	9.3
68.38078	4.9
71.01411	6.3
72.99304	5.8
83.05074	8.3
108.38772	5.5
111.00922	6.0
116.23069	5.0
116.92921	6.7
137.09653	5.9
158.05263	4.9
207.10339	20.5
209.11861	100.0
228.98053	5.8
251.48773	5.2
305.17627	22.1
472.85245	5.6
538.27911	35.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4052
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98844	2.4
78.95889	23.3
81.03460	1.8
83.05040	9.3
86.59940	1.8
92.10765	6.6
140.01170	9.0
141.35934	1.8
152.99620	4.4
163.11267	9.2
165.12833	6.9
196.03827	4.1
209.11855	100.0
227.12958	11.7
255.23318	85.6
452.27771	4.1
662.40527	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57119	0.3
52.98651	0.3
55.35972	0.3
57.06083	0.2
59.01385	37.3
66.64761	0.3
84.51272	0.3
85.02928	0.3
91.30068	0.3
99.08154	15.8
127.07650	12.1
134.28433	0.3
137.92035	0.3
145.08714	100.0
146.09149	0.5
187.09773	26.3
188.91640	0.3
195.90781	0.3
227.03539	1.7
255.02998	3.0
284.03375	2.5
285.04117	2.1
301.76501	0.4
431.10217	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	663.1945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86766	0.3
55.10403	0.2
59.01385	1.7
70.63298	0.3
71.01404	1.3
75.20214	0.3
77.72161	0.3
82.31188	0.3
85.02976	0.4
89.02438	0.5
91.29271	0.3
93.03514	0.3
98.59141	0.3
101.02454	0.6
102.39652	0.3
106.04248	9.9
108.02190	2.1
109.02978	1.7
113.02479	0.8
117.03415	0.4
121.02939	0.5
122.03706	1.3
125.02468	0.5
138.03218	0.7
145.02911	0.5
147.04555	4.6
149.02435	0.6
161.04576	0.8
176.13176	0.3
185.60138	0.4
185.79662	0.3
212.91504	0.4
238.06288	0.7
253.08725	100.0
254.09027	0.5
309.70654	0.4
381.42429	0.4
397.12939	2.1
415.14084	4.8
457.15076	9.7
614.29150	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	663.1997
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03473	4.5
59.01403	4.4
69.03474	4.3
71.01382	9.8
73.02943	14.0
83.01428	1.3
85.02951	32.4
87.00877	100.0
87.89708	0.6
89.02475	0.6
95.01404	6.3
97.02950	24.8
98.18895	0.6
101.92171	0.7
103.04027	10.7
113.02471	8.3
115.00357	11.6
115.01024	0.7
115.04033	3.3
129.01920	1.5
133.01401	0.7
140.45563	0.7
151.98253	0.8
157.01411	9.6
175.00955	1.3
175.02489	40.2
217.03551	16.0
221.57094	0.7
293.77368	0.7
303.07285	32.1
321.08301	22.6
321.11868	1.2
531.45819	0.7
542.95557	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	661.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	19.3
61.98833	1.8
62.81485	1.7
67.75929	1.6
71.01381	79.8
72.99303	18.3
73.02944	1.9
76.58182	1.7
85.02943	2.1
85.05177	1.7
88.54943	1.8
89.02457	8.7
89.69290	2.2
101.02457	10.8
113.02476	2.6
115.00359	13.4
117.38576	1.7
133.01411	2.5
134.03780	2.6
161.04620	2.5
161.55858	1.9
181.12297	2.4
197.11952	2.3
247.20728	3.8
251.06955	2.0
253.09239	16.1
283.09979	2.1
291.19666	41.5
309.20764	100.0
312.26172	2.0
545.29755	58.9
643.29828	12.4
661.30841	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	661.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44995	4.1
51.51812	4.4
59.01389	23.4
70.86373	4.8
71.01376	72.2
71.01666	4.9
72.99311	9.9
76.58199	5.0
113.02443	6.5
115.00381	24.3
133.01407	9.6
245.87671	5.6
253.09332	14.2
291.19684	53.6
309.20718	100.0
326.77954	5.6
357.17194	6.7
427.84988	6.0
433.22324	5.9
474.77768	5.7
545.29974	44.5
643.30084	8.7
661.31458	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	661.216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18813	0.3
55.01888	0.6
57.03461	3.7
58.03807	0.5
59.01385	2.8
64.81247	0.4
71.01380	6.2
73.02956	2.0
83.01402	2.0
85.02955	10.7
85.41251	0.4
86.03316	0.8
87.00932	0.5
89.02439	0.6
95.01395	0.5
99.00880	0.7
99.04518	4.7
101.02451	4.0
109.02965	2.2
111.00890	2.2
113.02444	3.4
115.00381	0.6
119.05025	3.2
123.04558	2.1
125.02436	3.0
129.01959	3.4
130.02263	0.4
133.01424	1.7
135.04568	0.9
137.02454	2.5
137.06085	4.6
139.07664	0.6
149.00925	0.9
150.06853	2.9
151.04034	0.8
159.03017	0.5
161.04607	5.3
163.03992	2.7
164.08447	100.0
165.02057	0.4
165.09248	5.4
175.04173	0.5
179.03551	0.9
179.07156	3.0
187.04095	0.4
202.72124	0.4
203.07141	0.9
205.03587	2.1
205.05275	0.6
206.03981	0.8
223.04620	2.6
224.05038	1.3
225.05023	0.8
289.07208	4.0
311.05450	1.6
327.14426	0.6
369.08493	0.9
371.09125	1.3
371.13501	27.1
372.14059	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82714	2.7
59.01386	6.7
59.76297	2.3
71.01394	6.2
74.73132	2.9
79.21194	2.5
80.29051	3.1
83.05023	4.1
87.00943	2.9
89.02493	4.6
92.10783	9.0
97.06587	4.1
113.02469	4.0
127.62476	2.9
151.11288	18.7
163.11264	10.9
166.58609	2.9
169.12337	100.0
171.10223	4.3
197.11829	12.8
199.13477	5.5
207.10313	6.6
209.11861	87.1
213.11328	10.7
225.11351	12.7
227.12917	10.5
243.12271	3.8
294.47464	3.5
449.20343	6.5
659.33002	82.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13749	1.3
51.90734	1.9
51.90978	1.7
59.01382	16.0
59.54194	1.5
60.62828	1.6
61.98833	2.1
69.03448	1.8
69.87806	1.5
71.01380	82.4
73.02954	2.8
75.39337	1.7
81.03458	2.3
83.01393	1.6
83.05018	2.6
87.00865	2.6
89.02441	4.0
91.05506	2.0
93.03455	8.9
95.36230	1.9
97.02938	4.3
101.02449	7.7
109.06592	15.9
113.02453	2.4
114.93323	2.0
116.92864	2.5
134.03796	15.1
135.04527	25.9
135.08218	3.3
149.06038	3.6
153.12828	2.3
161.04536	2.0
163.11230	7.7
169.12378	17.0
171.10255	8.7
181.12305	3.3
185.11809	8.3
197.11841	100.0
201.11397	2.0
207.10277	41.8
209.11893	30.4
210.12088	3.4
211.13373	8.8
212.04759	2.3
212.13779	2.7
213.11404	7.5
213.13876	2.2
225.11455	16.1
235.08215	2.2
241.08763	2.2
251.07082	2.8
253.09167	10.3
255.06706	3.3
260.58813	1.9
265.05035	2.5
297.07718	2.3
309.07788	3.2
387.21777	2.6
403.12198	2.0
461.20038	7.6
623.31018	1.8
641.31964	7.6
659.23291	2.4
659.33203	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	659.3299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	1.3
57.03457	2.3
59.01386	8.3
66.91587	0.3
69.03471	0.7
71.01385	5.7
72.99310	0.6
73.02958	1.8
80.02699	1.6
81.03474	2.1
83.01388	1.6
83.05029	9.1
83.05481	0.5
84.02189	1.6
85.02959	1.9
87.00902	2.3
89.02438	4.7
92.10067	0.8
95.01441	0.4
95.05009	2.7
96.50493	0.3
97.06583	7.2
101.02435	6.7
109.06552	0.5
113.02471	3.0
119.03522	0.6
125.06074	0.5
125.09712	1.6
135.08176	0.9
145.05035	0.5
149.09784	0.5
151.11298	18.2
157.04904	0.4
161.04620	2.7
163.11301	6.4
165.12877	4.0
169.12354	86.7
181.12369	0.5
191.10728	1.8
195.10321	2.6
197.11859	0.8
209.11865	100.0
210.12245	0.5
213.11327	10.1
227.12930	6.3
233.81107	0.4
235.08244	1.8
253.09363	4.9
320.08569	0.4
431.19244	2.1
442.73929	0.4
449.20328	5.0
530.29120	0.4
641.31946	2.7
659.33014	91.5
660.33362	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	659.2719
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65829	1.0
54.29994	0.9
57.03464	4.9
59.01389	2.4
71.01422	1.8
81.03461	2.6
83.01405	6.2
87.00880	11.1
92.10131	4.5
93.03481	2.2
95.01391	1.1
95.05029	5.6
96.96000	7.9
97.02950	8.6
106.74944	1.1
109.02960	35.5
109.50609	1.0
121.02955	6.1
123.04521	27.5
125.02438	31.4
125.03306	1.7
128.80339	1.1
135.04544	2.0
137.02452	26.0
139.04019	5.7
146.03770	1.7
149.01337	1.1
149.02385	7.8
150.03345	1.2
151.04047	14.0
159.04518	7.3
160.05356	1.6
161.02518	1.5
161.06059	10.1
162.03134	1.4
163.04024	2.5
164.01176	5.5
165.01947	7.0
167.03447	1.6
169.01401	1.5
173.06067	1.3
175.04028	4.4
175.07666	2.5
177.01845	1.2
179.03525	10.7
185.06194	1.2
187.04034	8.5
188.04781	9.6
199.07695	1.5
201.05589	1.4
202.06427	4.3
203.07153	27.4
205.05072	17.8
217.08562	1.4
221.08231	4.6
227.07176	4.9
245.08229	37.8
247.05855	1.2
271.06149	1.6
289.07214	100.0
315.08945	1.4
479.20859	8.6
659.27191	28.3
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
50.65829	1.0
54.29994	0.9
57.03464	4.9
59.01389	2.4
71.01422	1.8
81.03461	2.6
83.01405	6.2
87.00880	11.1
92.10131	4.5
93.03481	2.2
95.01391	1.1
95.05029	5.6
96.96000	7.9
97.02950	8.6
106.74944	1.1
109.02960	35.5
109.50609	1.0
121.02955	6.1
123.04521	27.5
125.02438	31.4
125.03306	1.7
128.80339	1.1
135.04544	2.0
137.02452	26.0
139.04019	5.7
146.03770	1.7
149.01337	1.1
149.02385	7.8
150.03345	1.2
151.04047	14.0
159.04518	7.3
160.05356	1.6
161.02518	1.5
161.06059	10.1
162.03134	1.4
163.04024	2.5
164.01176	5.5
165.01947	7.0
167.03447	1.6
169.01401	1.5
173.06067	1.3
175.04028	4.4
175.07666	2.5
177.01845	1.2
179.03525	10.7
185.06194	1.2
187.04034	8.5
188.04781	9.6
199.07695	1.5
201.05589	1.4
202.06427	4.3
203.07153	27.4
205.05072	17.8
217.08562	1.4
221.08231	4.6
227.07176	4.9
245.08229	37.8
247.05855	1.2
271.06149	1.6
289.07214	100.0
315.08945	1.4
479.20859	8.6
659.27191	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.0161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82656	0.5
59.01384	81.5
60.22923	0.4
65.38039	0.5
72.94609	0.5
76.57309	0.5
92.10780	1.9
98.17696	0.5
118.96724	0.6
122.26048	0.5
132.98199	2.7
150.02434	0.5
157.03516	1.2
159.01535	0.9
163.55547	0.5
174.99254	32.5
192.95926	0.7
201.02596	19.9
217.00328	100.0
218.98256	0.5
283.71854	0.6
300.98886	0.6
315.63150	0.6
343.03793	2.6
359.01517	21.9
374.99280	33.5
517.00421	5.8
544.72778	0.6
659.81464	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	23.8
59.27103	2.3
61.98838	4.8
71.01394	98.4
73.02966	5.2
74.79230	2.7
83.05044	4.9
85.02965	5.9
89.02460	4.1
91.05543	11.0
93.03468	29.0
97.02936	4.7
97.06537	3.0
101.02458	5.6
108.02187	5.8
109.02924	5.4
109.06611	25.6
109.07249	2.6
113.02489	4.0
116.92886	3.8
117.03458	2.7
119.05023	4.8
121.02909	5.5
123.04530	3.6
134.03752	65.8
135.04521	100.0
142.02776	3.1
147.04457	3.9
149.06093	32.0
151.04012	5.5
159.38167	2.6
163.11272	19.2
169.12360	24.9
171.10284	14.1
181.12355	3.1
185.11826	4.5
197.11850	55.3
201.11389	6.0
207.10274	51.5
209.11876	58.0
210.12134	11.6
211.13399	21.9
212.04813	4.7
212.13722	11.4
213.11250	5.8
225.11328	37.7
226.06285	6.1
239.07115	4.9
241.08876	6.1
243.06642	3.0
251.07199	23.1
252.04260	3.5
253.08925	18.2
255.06581	19.3
263.07175	6.3
265.05048	13.7
266.05804	6.3
267.06616	6.7
269.08157	6.1
277.05026	6.8
297.07681	17.5
300.38547	2.8
309.07632	17.9
323.09427	4.1
357.11386	17.2
387.21609	3.9
403.11652	6.9
405.13403	20.9
415.11951	18.6
417.13385	10.8
461.20096	10.9
497.15836	6.5
509.16470	6.3
565.18701	14.6
624.78912	3.1
641.31079	4.1
659.22717	17.1
659.33099	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.4235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44419	0.2
59.01395	0.5
59.32732	0.2
59.63050	0.2
59.95762	0.2
61.48668	0.3
71.01404	0.5
73.02966	0.4
79.60936	0.2
85.02966	0.2
99.04529	1.2
113.06093	0.5
119.39053	0.3
125.02441	0.3
134.03749	0.3
135.08148	1.0
136.05287	0.5
137.06065	0.4
137.09790	0.3
148.05321	0.3
149.06097	13.4
150.06882	87.1
151.07582	1.5
152.61079	0.2
153.57108	0.2
154.19455	0.2
161.04741	0.2
161.09720	1.1
162.06943	0.2
163.07668	22.3
164.08450	9.9
164.09763	0.5
176.08446	2.2
176.18701	0.3
177.09233	0.6
178.10002	6.4
179.10791	29.8
180.11171	0.3
193.08684	0.3
209.11879	2.1
211.13416	1.5
247.50911	0.3
351.34818	0.3
393.32208	0.3
439.59366	0.3
462.33469	2.2
477.36020	1.3
480.34653	19.5
494.36246	10.6
495.37024	100.0
496.37640	2.0
544.88196	0.3
657.42377	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	657.4232
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61205	0.4
57.00957	0.4
59.01392	0.7
66.02756	0.4
70.35662	0.4
73.02966	0.4
80.73122	0.4
99.04520	0.6
113.06112	0.5
113.92905	0.4
113.97976	0.4
135.08157	0.6
136.05272	0.6
149.06097	10.6
150.06876	80.9
151.07561	0.7
159.10312	0.5
161.09760	0.6
163.07658	20.0
164.08437	10.3
176.08397	1.8
178.10019	6.4
179.10796	29.9
209.11787	0.5
227.12672	0.5
327.21985	0.6
462.04236	0.4
462.33676	1.7
477.35593	0.7
480.34656	18.8
494.36273	11.9
495.37009	100.0
496.37344	3.1
657.42218	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	657.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	4.0
61.40849	0.5
61.98847	0.4
68.72339	0.5
69.11082	0.5
71.01378	3.2
73.02959	0.6
74.15518	0.5
80.02692	0.5
81.03442	0.8
83.01378	0.5
83.05038	4.0
84.02190	1.0
85.02966	0.9
89.02454	2.9
93.03456	0.5
95.04990	0.6
96.96049	1.0
101.02410	3.4
113.02487	1.0
125.02436	2.0
133.05051	0.4
161.04565	2.4
162.48547	0.5
163.11363	3.6
165.12852	3.7
183.13921	7.5
191.10791	0.8
193.12369	1.1
209.11867	81.2
211.13437	100.0
212.13734	0.5
227.12946	9.4
233.15480	0.5
235.08272	2.3
240.10185	0.5
249.14943	0.6
253.09323	7.7
255.10298	0.5
256.16193	0.4
290.72644	0.4
315.81635	0.4
401.12482	0.6
445.20911	0.8
447.22592	3.4
674.93011	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55054	0.3
57.03465	1.1
59.01395	1.0
60.50127	0.4
63.02409	0.9
65.00341	17.7
67.49047	0.4
83.01398	9.2
87.00877	0.5
95.01391	0.5
105.03463	0.5
107.01406	30.4
109.02975	2.2
112.93964	0.5
121.02927	0.7
123.04549	8.6
124.01632	3.3
125.02451	28.9
125.41740	0.4
133.03009	3.2
135.04547	1.9
141.76335	0.4
149.02464	3.6
150.03244	21.3
151.00392	100.0
151.04012	24.8
152.01180	20.6
153.01965	3.4
155.18900	0.5
159.04474	0.5
169.01456	2.2
171.04556	0.7
174.03305	0.6
175.04021	5.7
176.01201	1.7
177.01987	4.9
178.99873	19.4
180.00603	0.7
181.01456	0.5
189.05594	1.0
193.04939	0.5
198.03160	0.7
199.04016	3.9
201.01950	0.8
207.04443	1.8
213.05582	1.0
213.73448	0.4
217.05093	3.6
241.05096	3.1
257.04605	0.8
259.06284	0.5
275.05649	0.5
285.04080	54.9
288.80386	0.6
297.09787	3.2
302.04395	1.0
303.05154	23.7
323.07755	0.9
418.35791	0.5
447.09390	0.8
449.10974	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
59.20093	1.3
67.97091	1.3
72.83217	1.3
75.84883	1.5
87.52853	1.4
99.92609	9.4
103.82086	1.5
116.92866	100.0
249.25307	1.4
376.76492	2.0
438.64261	1.4
650.90710	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	657.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35957	0.3
59.01394	5.2
61.33417	0.4
61.98857	0.7
68.41627	0.4
69.03479	0.6
71.01403	3.0
73.02935	0.4
80.02682	1.0
81.03479	0.6
83.05036	4.6
84.02197	0.9
85.02979	0.7
89.02448	2.7
90.24189	0.4
94.70408	0.4
94.74204	0.5
95.05070	0.5
101.02451	4.0
111.90314	0.5
113.02450	2.1
125.02440	2.1
161.04567	0.6
163.11293	4.5
165.12878	2.9
167.14470	1.0
171.10277	0.6
179.05608	0.7
181.12312	0.6
183.13907	9.5
191.10782	0.7
193.12346	2.3
209.11871	79.6
209.44028	0.5
211.13438	100.0
227.12927	7.9
235.08246	2.3
253.09309	8.1
258.23508	0.4
310.19864	0.4
344.13141	0.5
447.22430	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	656.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45458	0.4
54.83197	0.5
57.41146	0.5
61.98839	100.0
69.40043	0.5
73.77914	0.5
85.44428	0.5
94.54778	0.6
97.35725	0.5
109.90028	0.5
115.69195	0.5
116.92801	0.7
259.65656	0.6
549.59882	0.7
605.91736	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.2932
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20871	0.5
54.83254	0.5
54.88516	0.4
59.01378	0.9
61.40236	0.5
62.05367	0.5
71.01385	5.2
80.82753	0.5
88.04037	82.4
91.05536	3.4
99.10110	0.6
112.31155	0.6
114.01944	4.3
115.00375	17.0
132.03024	100.0
134.06114	0.7
135.04530	4.0
206.08151	0.7
239.54712	0.7
250.07239	62.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43810	0.7
61.98841	22.2
61.99117	1.2
73.80066	0.8
85.03826	0.8
107.36873	0.8
109.03011	1.1
116.75376	0.8
125.02436	1.3
151.00407	3.2
163.00410	1.0
185.06041	1.5
187.04042	1.9
203.95079	0.8
211.04010	1.2
213.05679	1.0
223.82509	0.9
227.03523	35.7
229.05055	3.9
241.05098	1.2
255.03021	64.5
256.03677	4.1
257.04749	1.8
272.20419	1.0
284.03302	100.0
285.04056	37.9
399.88623	1.2
593.15314	81.2
594.15808	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77502	0.4
51.17081	0.6
55.38367	0.5
59.11674	0.6
61.98835	21.7
70.77135	0.6
71.75637	0.6
78.70002	0.6
78.82896	0.5
79.19540	0.6
88.32922	0.7
93.03458	0.8
98.07213	0.6
107.01419	2.6
135.00851	1.2
149.65448	0.6
151.00395	3.4
159.04562	0.7
163.00351	1.0
167.65430	0.7
171.04543	0.9
183.04436	0.9
185.06099	3.2
187.03999	3.7
189.05576	1.3
197.06096	2.4
201.05542	0.9
206.13226	0.6
211.04008	2.5
213.05560	3.1
227.01253	1.3
227.03531	39.0
229.05090	15.0
239.03549	2.8
240.04225	0.9
241.05096	1.3
243.03165	0.7
255.03030	68.5
256.03891	4.7
257.04605	8.9
267.03040	1.0
284.03314	86.6
285.04080	100.0
286.04486	1.0
327.05109	0.8
440.59897	0.8
593.15271	86.7
594.15186	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	655.408
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62813	0.5
59.01389	1.2
71.01418	0.6
78.55621	0.5
83.02102	0.5
83.05045	0.6
83.23667	0.5
87.00893	0.8
97.26102	0.5
99.04543	1.1
113.06139	0.7
118.35886	0.5
122.03778	0.6
135.08151	0.9
136.05254	1.0
137.06136	0.8
148.15715	0.5
149.06099	11.1
150.06877	80.1
151.07669	2.5
163.07661	19.7
163.08951	1.0
163.11324	0.6
164.08441	10.4
171.10371	0.6
176.08469	1.1
178.10031	4.7
179.10789	31.3
184.98628	0.6
209.09877	0.9
209.11864	27.4
210.12189	0.7
211.13463	1.3
253.09123	0.7
454.95343	0.7
460.32053	1.3
475.34702	1.1
478.33069	16.8
488.92581	0.6
492.34714	8.9
493.35437	100.0
494.35730	2.9
637.32269	1.0
655.40710	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3347
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	12.6
60.55984	1.4
61.98861	2.3
69.18993	1.6
71.01418	8.9
84.76550	1.7
89.02470	2.0
93.69652	1.6
95.99927	1.7
97.02967	1.8
101.02486	2.8
109.06599	17.8
113.02460	3.5
125.09698	1.9
127.37668	1.8
131.74329	1.8
161.09737	2.1
163.11290	16.5
171.31430	1.7
181.12408	3.7
183.13904	9.1
185.11783	3.1
193.12410	2.1
207.10291	54.3
209.11833	2.5
211.13435	100.0
225.11336	26.6
235.08211	2.7
253.09328	4.3
276.37958	1.9
303.24417	2.2
341.48343	1.9
373.23810	2.8
383.22443	9.7
394.01642	2.2
401.23373	12.2
443.20294	2.3
461.20593	3.0
609.32233	2.3
619.31274	2.5
637.32416	33.8
655.33612	19.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3346
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	21.8
59.14307	2.2
61.98826	3.3
67.39107	2.2
71.01401	15.3
75.28682	2.2
75.70663	2.6
78.95946	2.5
83.05065	4.1
87.00935	2.5
89.02440	5.9
90.97417	2.0
96.96011	23.4
97.02935	3.7
101.02464	11.7
105.00333	2.0
109.06607	21.4
163.11311	18.2
183.13911	12.0
207.10284	51.5
209.11862	97.7
211.13432	100.0
221.15680	2.8
225.11351	22.9
227.12990	4.2
231.14153	2.9
235.08214	3.3
253.09288	14.5
265.82339	2.7
338.54385	2.6
373.23651	3.0
383.22192	13.4
391.24466	2.4
401.23203	20.8
404.18115	2.6
419.24380	11.1
619.31189	3.8
637.32397	30.4
640.80328	2.8
655.33087	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45248	0.6
59.01384	100.0
61.98843	3.7
65.84394	0.7
66.18682	0.7
71.01397	0.8
92.10772	0.9
93.33359	0.7
96.99299	0.9
141.01712	39.4
147.47847	0.7
172.30719	0.7
178.17192	0.7
179.17442	0.7
277.21674	2.9
391.20105	0.9
453.72495	0.8
503.65991	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85171	0.3
51.10596	0.3
57.03458	4.1
57.03698	0.4
58.56860	0.3
59.01392	2.6
69.03461	0.9
81.03450	4.8
83.01384	4.9
85.02940	0.5
86.49372	0.5
87.00889	0.5
89.02486	0.5
93.03482	2.2
95.01374	0.9
95.05030	5.6
97.02946	10.9
105.03481	0.4
107.05068	0.8
107.12232	0.5
108.02198	0.8
109.02960	36.9
110.03256	0.6
111.11875	0.4
119.05006	3.5
121.02947	4.9
121.44023	0.4
122.03741	1.0
123.04528	29.4
125.02446	27.3
133.01398	0.5
135.04538	5.4
137.02448	13.1
138.03242	1.8
139.04021	5.9
145.02946	3.3
146.03778	2.2
147.04504	0.8
149.01334	0.6
149.02455	6.9
149.99458	0.4
150.03201	1.9
151.04022	15.1
159.04504	3.8
160.05260	2.4
161.02409	1.9
161.06093	7.0
162.03212	2.4
163.04063	4.4
164.01190	5.0
165.01949	6.0
166.02637	0.7
167.03526	2.8
173.06088	0.7
174.03250	1.6
174.06912	0.5
175.04080	3.1
175.07611	2.9
177.01855	0.6
177.05626	0.5
179.03531	7.2
179.58177	0.4
181.29588	0.4
185.06036	2.1
187.04028	5.8
188.04802	6.6
189.91234	0.4
192.24863	0.4
199.07686	0.9
201.05595	0.8
202.06500	3.2
203.07166	19.6
205.05080	11.5
212.04681	0.6
215.81931	0.4
217.04994	0.5
217.08670	1.5
221.08232	5.3
227.07228	3.1
230.05836	1.5
231.03043	0.6
245.08209	25.8
247.06204	1.8
248.65976	0.5
261.14285	0.5
271.06183	0.8
289.07220	100.0
290.07504	3.1
321.15454	0.5
549.06396	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29715	3.1
59.01392	45.8
61.98842	22.3
65.54799	3.4
67.63781	3.4
71.01386	30.6
73.02945	4.2
73.89595	3.2
76.03455	3.7
85.02957	6.3
87.00835	4.8
88.66085	3.9
89.02451	26.3
90.59129	3.5
98.05634	3.9
100.47520	3.8
101.02431	15.2
113.02430	7.2
114.39971	3.9
125.02429	4.8
127.30929	4.5
161.04597	4.2
193.42986	4.1
255.23340	100.0
358.94748	4.2
397.13635	54.2
415.14532	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	653.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96405	0.5
57.36289	0.4
73.97113	0.4
78.95901	100.0
79.66603	0.5
88.98106	0.5
92.10776	2.0
121.46569	0.5
141.93987	0.5
144.77647	0.5
144.79036	0.5
149.00102	8.1
152.99585	0.5
182.68210	0.6
193.34238	0.6
205.15974	3.7
237.13228	0.6
283.17194	0.6
285.12607	3.9
355.16882	4.1
385.17862	0.7
447.13690	5.8
600.82452	0.5
653.30249	52.7
654.30945	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3188
Annotation	Sordarin-1-glucose ester
Peak:m/z	Relative Intensity
56.33418	5.5
59.01389	15.4
61.98837	10.1
71.01377	8.2
72.28024	6.4
78.95916	9.5
101.02447	10.0
102.58540	7.8
109.06589	33.2
111.18201	7.3
111.50527	7.8
125.02477	7.7
139.14748	7.4
147.08740	7.5
163.11256	17.5
171.10268	38.0
207.10289	34.7
209.11853	100.0
225.11333	7.7
261.57846	8.2
298.91504	7.6
309.37009	7.4
484.63324	8.2
635.31061	11.3
653.32239	52.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01113	0.3
59.01396	7.3
61.78862	0.2
64.39295	0.2
65.00333	0.6
65.03981	5.8
67.01907	1.9
71.01398	3.7
73.02946	4.1
83.01392	1.6
85.02948	1.9
87.00870	0.6
89.02450	0.5
91.01900	45.2
93.03470	0.4
97.02958	0.5
99.00880	0.3
101.02448	4.3
108.02169	1.2
109.02965	47.1
113.02438	2.4
121.02963	3.5
125.02431	1.8
131.03465	0.4
131.05032	0.4
133.02957	1.2
135.00893	100.0
136.01173	0.4
137.02458	1.1
137.53220	0.3
143.03503	0.4
147.04527	0.6
148.01671	0.6
149.02466	1.7
153.01955	89.3
161.02467	0.3
161.04475	0.5
167.03471	0.5
174.03429	0.3
175.04036	1.7
177.01956	5.9
195.02995	2.4
203.05637	0.4
209.08122	0.3
221.06741	0.5
253.07133	0.4
261.03983	0.5
279.05115	4.0
297.06204	7.7
409.62332	0.3
441.10428	2.4
459.11304	3.3
501.12610	15.9
510.11948	0.3
539.30420	0.3
606.40991	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.04160	7.6
54.06958	7.2
59.88276	7.6
65.03522	7.0
71.01427	9.2
71.12939	8.0
78.95882	13.4
90.99412	8.5
115.76061	10.0
171.10246	100.0
209.11833	97.8
212.12665	9.9
233.81635	8.7
653.30182	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	651.3521
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19195	1.7
59.01378	3.2
61.98840	11.8
74.02493	7.4
80.80071	2.0
82.02991	7.7
97.33649	1.8
116.05042	18.8
116.92832	3.5
127.05122	4.3
128.03586	3.0
129.10326	10.6
142.06673	3.9
143.11891	2.8
153.06606	2.2
155.08255	11.4
159.09343	5.0
171.10269	2.4
177.10272	7.0
181.89372	2.1
187.10783	3.2
195.11392	10.4
203.08272	23.0
207.20041	2.3
220.10962	21.4
223.14525	2.8
225.16086	2.9
238.12053	4.9
242.18787	4.7
253.81082	2.2
272.17667	3.3
300.19299	2.2
354.31165	2.2
385.26282	2.3
429.25186	2.7
576.72882	2.4
651.35266	100.0
652.36469	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	651.3528
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68810	1.3
54.82765	1.8
59.01391	1.8
67.43812	1.8
72.00896	1.8
74.02489	6.9
81.84321	1.8
82.03005	2.6
83.05064	1.4
97.06599	2.0
109.04070	3.2
112.07685	2.0
116.05093	19.2
127.05132	7.9
129.10361	11.2
130.08784	1.9
139.08786	2.1
140.07162	2.2
142.06606	3.9
143.11841	1.8
146.12427	1.6
151.04056	1.6
155.08263	9.2
159.09299	3.7
177.10353	6.8
178.08810	2.2
183.50969	1.8
187.10881	1.7
195.11406	9.1
203.08310	20.7
220.10965	27.8
221.09262	3.6
225.16199	1.9
238.11998	7.6
242.18736	6.6
256.20578	2.4
338.64093	1.9
385.26205	2.2
394.51981	1.6
485.01584	1.5
553.01898	1.6
563.11316	1.8
592.19342	1.6
623.41437	1.8
651.35254	100.0
670.04132	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	653.1583
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57500	0.3
59.01383	4.1
72.99306	4.7
77.24010	0.3
85.02938	0.3
87.00874	14.3
91.05528	0.4
103.00361	3.2
105.01913	0.5
107.05051	2.4
107.05672	0.4
112.98840	0.7
117.03491	0.6
130.99884	1.2
134.03725	6.2
135.04530	100.0
136.04874	0.5
149.00929	75.5
161.02449	0.3
179.03517	95.4
180.03856	0.7
223.04713	0.4
254.94751	0.4
311.04111	12.6
337.97440	0.3
338.72815	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.1737
Annotation	Syringetin 3-rutinoside
Peak:m/z	Relative Intensity
52.97132	0.5
59.01396	1.0
63.02400	1.1
71.01377	0.6
75.79539	0.6
83.01405	0.9
90.45396	0.6
107.01419	0.7
125.02437	1.6
132.84981	0.7
135.28040	0.7
151.00398	5.9
163.00385	1.2
174.03302	1.0
177.01917	1.4
178.99896	0.7
199.04050	0.8
202.02779	0.8
203.03618	2.3
213.01949	1.2
214.02791	3.2
215.03552	2.4
230.02199	9.0
231.03038	4.0
241.01463	5.8
241.05042	0.7
242.00034	0.9
242.02269	13.5
243.03008	7.6
248.74634	0.7
255.03030	0.7
257.00919	1.2
257.99261	0.8
258.01779	16.3
259.02499	9.0
269.00934	1.6
270.01779	14.6
271.02518	11.1
272.03308	3.2
273.04080	11.0
274.01147	4.4
274.04291	0.9
285.04001	3.3
286.01208	17.4
286.19690	0.7
287.02048	17.6
287.05341	1.3
289.07025	1.2
298.01236	4.3
299.01965	2.9
301.03610	16.2
302.04477	0.9
314.00711	3.2
315.01556	39.4
316.05972	1.1
317.06793	1.5
318.85510	0.7
329.03116	73.3
330.03876	45.8
331.04132	0.7
343.04865	0.7
344.05438	35.7
345.06216	100.0
520.57843	0.8
520.99066	0.8
653.17407	74.3
654.17566	1.4
667.33099	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
56.36341	3.7
56.39474	4.0
59.01398	10.9
61.98855	9.5
63.65189	4.5
66.36742	4.1
75.00806	4.2
77.95365	3.9
133.02794	4.7
134.03735	100.0
135.04544	6.9
149.06065	52.2
151.03989	6.7
205.78867	4.6
221.61482	5.0
226.06473	8.4
249.19716	5.3
253.05083	8.6
268.07407	18.1
269.08286	32.4
285.80255	4.5
319.39789	4.8
356.07111	6.9
371.08701	5.1
391.03967	5.0
419.15219	6.5
425.48639	5.3
435.14417	6.0
585.21161	33.5
614.07123	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	647.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44299	3.3
59.01396	17.2
61.98842	20.9
63.58245	3.9
71.21857	3.6
79.72414	3.9
91.94956	4.0
93.03468	17.8
96.96048	4.5
108.02196	20.1
119.04984	5.2
123.04548	25.8
134.03749	7.2
135.04570	6.0
136.01678	6.2
149.06075	9.0
151.04060	27.4
161.02481	10.2
162.03238	9.1
165.05624	10.6
177.05658	5.6
179.07193	14.9
195.06688	97.4
241.79631	4.2
301.10855	100.0
382.86273	4.4
448.81042	5.5
520.81940	5.4
587.22913	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	648.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	4.5
61.98835	100.0
65.00343	21.5
79.82222	1.7
83.01421	8.3
107.01411	34.0
125.02441	4.5
134.03746	21.8
135.04514	2.9
143.59448	1.8
149.06120	12.8
151.00380	94.2
169.01462	2.5
181.42046	2.4
256.03757	2.2
260.24963	2.1
268.03830	11.5
269.04623	3.0
271.06073	4.8
281.04517	4.2
283.06146	11.9
390.52069	2.5
403.04831	2.6
433.13232	3.0
447.07233	2.2
585.14197	89.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	648.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85924	1.8
54.43732	1.8
57.24604	1.6
59.01402	3.2
61.98832	100.0
65.00340	10.1
71.01395	1.8
73.06870	1.7
83.01420	2.0
92.72686	2.1
107.01393	13.5
121.10674	1.9
125.02453	2.5
134.03740	9.6
149.06123	3.8
151.00378	33.1
151.12341	2.0
169.65074	1.9
174.69254	2.0
278.57047	1.8
283.02563	2.0
283.06061	4.1
351.32526	1.9
403.04828	3.9
585.14185	53.9
586.29419	2.2
587.26270	2.4
664.46350	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	648.1372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82889	0.5
56.03276	0.3
59.01390	0.4
61.98837	100.0
63.41972	0.4
63.74082	0.3
66.19865	0.4
66.52285	0.3
68.11977	0.3
88.98808	0.3
92.10085	1.1
118.17445	0.5
137.57713	0.3
151.00397	0.4
174.57875	0.4
255.03035	11.1
256.03815	1.5
283.02533	10.0
284.03186	2.1
571.48718	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97947	1.3
59.01382	55.7
60.03199	1.2
65.71375	1.3
66.59358	1.2
71.01383	28.0
72.97507	1.4
78.64353	1.4
83.01414	1.8
85.02221	1.4
85.02969	7.3
87.00836	1.9
89.02435	36.6
93.95841	1.3
95.01414	3.1
96.96016	2.2
101.02438	16.3
108.02168	12.3
109.02958	7.2
113.02484	12.9
119.03514	12.6
121.02969	2.9
123.04520	95.1
133.75911	1.6
134.45444	1.3
135.04578	3.0
153.05582	100.0
167.03482	25.1
177.02005	1.9
179.03596	2.6
182.05461	1.7
198.92578	1.8
209.04570	15.5
239.05624	3.2
269.06696	14.8
315.07574	2.4
315.10873	22.0
329.08829	62.9
329.12756	2.2
340.68707	1.7
376.63889	1.6
622.47589	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2049
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93308	0.2
59.01388	1.0
65.01787	0.2
73.17904	0.3
76.50360	0.2
87.00873	5.2
91.01927	0.8
92.10754	0.3
93.03466	1.5
106.04264	2.9
107.05039	15.9
108.02193	1.3
108.14783	0.3
109.03009	0.3
121.02950	2.9
127.83961	0.3
131.05057	0.3
133.05655	0.5
133.06609	8.4
134.03766	0.3
135.04521	2.5
138.03258	0.2
149.06099	23.9
151.04042	0.4
163.04005	0.3
165.05431	0.3
177.05589	27.0
178.05902	0.3
179.03513	44.8
180.03938	0.3
193.05106	0.5
195.06645	3.5
221.04672	1.8
239.05641	100.0
240.05914	1.7
247.66618	0.3
247.70746	0.3
389.24979	0.3
612.28540	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88159	0.2
58.57480	0.3
59.01391	0.7
59.89893	0.3
60.56184	0.2
75.80563	0.3
81.18966	0.3
87.00878	4.4
88.29082	0.3
91.01041	0.3
92.10156	0.5
93.03475	1.2
96.95988	0.3
106.04242	3.4
107.05041	17.3
108.02178	2.2
121.02966	3.6
131.05016	0.4
133.06599	9.1
134.03775	0.5
135.04515	2.7
149.06094	24.5
151.04005	1.3
177.05588	28.3
179.03513	46.4
180.03853	0.4
195.06641	3.9
204.29099	0.3
221.04605	0.6
239.05640	100.0
240.05995	0.7
258.58560	0.4
455.81400	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	645.1241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.3
59.76255	0.3
61.98857	0.3
62.12666	0.3
64.94276	0.3
65.00347	0.4
65.09389	0.3
67.84463	0.3
70.09629	0.3
79.80169	0.3
83.01417	1.3
88.33022	0.3
97.97250	0.4
107.01406	2.7
108.02205	1.3
109.02982	0.8
117.45216	0.3
121.02977	0.7
125.02452	0.4
135.00853	0.3
148.01698	0.8
149.02559	0.4
151.00392	10.8
151.03992	0.5
163.00385	1.7
163.03995	0.3
164.01097	0.6
169.01418	0.7
175.03937	0.4
178.99855	4.0
199.04056	0.5
211.04065	0.5
215.03629	0.3
226.02768	1.5
227.03572	2.2
243.03021	9.4
245.04546	0.8
247.17924	0.4
254.02217	2.3
255.03014	29.1
256.03369	0.4
271.02521	52.7
272.03171	1.5
273.04044	0.6
299.02063	0.8
300.02789	100.0
301.03558	22.4
600.26428	0.4
609.14758	66.5
610.14893	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	645.168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23013	0.3
59.01397	1.7
59.12584	0.4
64.08729	0.4
71.01379	2.6
73.02937	1.0
74.38018	0.4
81.03467	0.6
85.02959	3.0
86.17879	0.4
87.00871	0.7
93.03437	0.5
95.01390	1.8
96.96024	0.8
101.02421	2.0
108.02179	86.8
109.02959	28.3
112.85612	0.5
113.02420	0.8
121.02939	0.8
123.00902	0.8
123.04510	2.3
135.04527	1.0
137.75119	0.6
151.03993	1.9
152.01167	71.8
153.01955	26.0
157.37610	0.5
160.14230	0.5
163.04004	1.1
165.01895	0.9
207.00108	0.5
228.39941	0.4
238.12805	0.4
264.82007	0.5
273.80582	0.5
307.38315	0.5
315.07281	100.0
316.07642	1.7
607.47644	0.5
636.92346	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.5735
Annotation	Unknow
Peak:m/z	Relative Intensity
64.52986	0.4
77.09360	0.4
78.16022	0.4
111.66394	0.5
123.73228	0.4
128.67461	0.4
134.58925	0.5
147.48361	0.4
165.29907	0.6
177.07397	0.4
186.68326	0.5
252.54851	0.6
283.26471	100.0
284.26764	0.9
626.40308	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78488	0.9
54.51198	0.7
55.01894	4.8
57.03467	10.2
59.01389	10.6
59.11824	0.9
67.01916	1.1
68.99807	1.3
69.03452	10.4
71.01383	15.5
72.48220	0.9
73.02949	18.3
81.03429	1.3
83.01406	5.7
84.70783	0.9
85.02956	72.3
87.00879	100.0
92.66191	1.0
95.01382	10.4
96.13567	1.0
97.02954	34.9
101.02465	1.9
101.51097	1.1
103.04027	11.6
109.02979	1.3
109.55288	1.0
111.00906	1.5
113.02460	40.7
115.00407	11.1
115.04022	2.3
129.01967	1.9
139.00317	1.0
157.01456	10.8
173.04489	4.6
175.02499	44.3
178.63185	1.2
187.57103	1.2
217.03557	21.2
244.07240	1.1
281.52875	1.2
303.07288	20.1
321.08478	9.3
364.00360	1.1
469.91721	1.1
479.10571	10.9
530.96185	1.1
539.12628	17.2
625.16321	13.3
643.17438	41.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
57.03454	7.9
59.01385	11.0
67.01907	1.4
68.99831	1.1
69.03458	8.3
69.08221	1.0
71.01377	16.3
72.99310	2.2
73.02947	13.4
75.83363	1.2
78.95880	3.8
81.03434	1.7
81.03880	1.1
83.01402	5.4
85.02953	64.0
85.03461	2.5
87.00877	100.0
87.79331	1.0
95.01376	11.6
97.02946	36.5
99.00893	1.4
101.02453	2.3
103.04008	11.9
106.18034	1.2
109.41376	1.0
111.00930	2.7
113.02447	37.2
115.00385	15.1
115.03994	1.6
125.02501	1.9
127.04098	1.6
129.01933	2.0
149.01042	1.2
157.01358	9.4
173.04543	4.7
175.02477	46.5
217.03545	22.3
236.60400	1.2
251.52913	1.2
259.58307	1.1
303.07266	13.9
321.08310	7.3
479.10287	7.7
539.12866	12.4
612.06915	1.4
625.16193	9.9
643.17456	36.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.3342
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	5.9
60.30433	0.9
62.53096	1.0
64.92539	0.9
66.77629	0.9
67.87688	0.8
71.01402	4.1
74.88022	0.9
80.02675	1.5
83.05039	4.0
85.02969	1.4
89.02446	2.0
89.42612	1.0
91.94836	1.2
95.04982	1.2
96.96004	1.7
101.02436	2.6
136.33499	1.0
136.63603	1.0
148.85522	1.1
150.06871	5.4
151.07227	1.5
153.12822	2.0
163.07660	1.7
163.11263	1.9
163.51563	1.0
164.07948	1.3
165.12918	1.3
169.12303	8.2
191.10834	1.1
197.11861	100.0
209.11856	80.6
227.12955	10.4
235.08310	1.8
253.09390	5.8
329.99686	1.2
410.31076	1.4
433.20941	4.0
479.37582	1.7
480.38083	3.9
481.38080	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	641.2468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22324	0.5
54.83270	0.5
55.01898	2.2
57.03474	0.4
58.00624	0.6
59.01389	29.4
71.01389	14.3
72.99326	1.1
73.02972	2.7
83.01409	4.0
85.02979	5.5
87.00893	0.7
88.98826	0.8
89.02453	7.6
91.34642	0.6
95.01437	0.7
99.00877	0.9
101.02467	9.2
107.72169	0.6
111.00920	0.6
113.02485	5.5
113.61618	0.6
119.03514	2.6
119.97384	0.5
121.02960	1.2
123.00924	1.2
124.01682	4.8
125.02439	3.6
131.07114	0.7
135.04445	0.6
137.02492	1.2
138.03227	2.9
139.04070	3.5
153.05591	1.2
168.00613	1.2
174.03230	3.6
175.03958	1.1
179.03543	0.7
187.03993	2.3
188.04778	1.0
189.05577	6.3
202.06433	2.4
203.07196	1.2
205.05168	0.7
217.05083	0.9
219.06651	3.3
220.07405	0.9
221.08182	1.8
235.09921	0.7
294.05341	0.7
311.05417	1.1
312.06543	0.9
313.07135	2.1
325.07346	0.9
326.08124	2.3
327.08768	2.7
340.09586	3.2
341.10455	7.6
344.09146	2.8
354.60095	0.6
355.11920	5.8
358.10703	5.5
358.14578	0.7
359.11435	8.6
371.11459	2.5
373.12985	13.2
386.13678	1.1
389.12509	6.3
404.14841	11.3
405.15543	1.3
419.17255	15.4
521.16687	2.2
581.22504	100.0
582.23315	2.5
641.17175	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07897	1.1
57.17960	1.3
59.01397	2.1
66.76130	1.1
73.58104	1.7
78.92274	1.2
85.65990	1.4
149.06076	13.9
150.06880	82.9
151.07616	1.7
163.07690	24.0
164.08409	9.1
176.08485	2.1
178.10014	7.2
179.10771	25.4
211.13416	12.0
358.46957	1.5
383.26984	1.5
464.35086	20.7
469.52631	1.5
478.36545	10.0
479.37509	100.0
498.32162	1.5
671.94501	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	641.1374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17546	1.4
54.39487	1.6
55.91626	1.5
57.03462	2.1
58.32572	1.6
59.01403	10.1
69.14999	1.9
71.01392	3.4
71.76912	1.8
72.99335	4.0
74.58154	1.8
83.01408	2.4
84.93643	1.8
85.02957	26.2
87.00882	32.0
92.10224	3.2
94.95689	1.7
96.96037	2.0
101.02489	2.2
107.05029	2.3
108.46268	1.8
111.00909	12.6
121.02960	2.2
123.04531	57.4
123.05368	3.0
129.01961	8.7
134.03780	8.9
135.04533	100.0
147.02969	2.1
149.00928	65.5
149.02032	2.9
149.06104	19.5
163.04001	2.4
165.05627	10.0
177.83566	2.1
179.03525	93.3
189.05644	13.5
193.05042	12.7
195.03036	9.4
205.03520	15.7
223.04636	60.3
255.05156	53.8
311.04083	7.3
385.07922	2.9
557.40778	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	641.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75552	0.8
51.44949	1.0
57.11933	0.8
59.01381	4.6
59.24205	0.8
65.18559	0.9
66.72720	0.8
72.56934	0.9
72.99319	6.1
78.04974	0.8
80.43960	0.9
87.00876	14.0
103.00375	2.1
113.50796	1.0
114.46492	0.9
115.47974	0.9
119.05005	1.2
123.04519	1.3
125.02454	1.6
133.02942	4.0
134.03743	6.2
135.04527	100.0
149.00919	63.7
163.03995	1.7
179.03506	88.6
284.47366	1.0
311.04269	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	641.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43521	0.5
59.01384	5.6
71.01405	1.2
85.02962	0.7
86.17035	0.7
89.02467	3.2
93.03468	11.5
96.96014	0.9
101.02455	1.4
109.02963	0.9
117.03391	0.8
119.03502	1.0
125.02442	0.9
132.02110	0.9
133.02963	22.5
135.04523	8.8
137.02440	17.0
138.02859	1.0
145.47293	0.6
156.97841	0.6
161.02454	100.0
177.01932	6.1
177.05522	0.8
178.02336	3.0
179.02301	0.7
179.03561	12.9
203.03476	1.3
221.04662	0.8
297.04123	0.7
299.07712	2.9
323.94202	0.7
341.08823	36.3
365.80771	0.7
506.37338	0.7
601.90405	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.132
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	11.8
59.01376	1.7
61.98833	16.9
81.03469	1.8
83.01408	6.2
95.05022	1.6
95.06050	1.4
97.02958	2.6
107.05054	1.6
108.02200	1.4
109.02955	24.7
121.02944	2.6
123.04539	16.7
125.02438	100.0
133.02942	5.7
135.04535	6.2
136.76901	1.6
137.02446	25.1
139.04015	3.4
145.02808	1.6
149.02423	8.3
151.04027	20.8
155.71336	1.6
158.61024	1.4
159.04503	6.1
161.02481	28.0
161.06104	3.4
162.03214	2.8
163.00369	1.9
163.04074	2.9
164.01140	3.3
165.01895	7.0
173.41069	1.4
175.03949	15.0
177.01929	5.8
179.03473	8.7
187.04016	7.2
188.04773	3.1
193.05034	1.7
201.05563	1.9
203.07220	14.4
205.01407	2.9
205.05138	14.1
217.05064	1.8
221.08203	2.0
228.04367	1.7
229.05156	2.8
243.03001	6.3
245.04550	3.3
245.08179	16.8
255.03024	15.6
256.03802	5.5
257.04553	2.7
269.04413	2.6
273.04166	5.2
281.04562	2.9
283.02408	1.7
287.05658	5.9
289.04251	2.7
289.07224	51.4
316.36020	1.5
339.08707	7.5
368.72052	1.8
407.07782	52.3
425.08905	37.5
427.28110	1.5
451.10535	13.7
488.19226	1.6
546.61267	1.6
577.13586	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	640.1531
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13802	0.7
57.88171	0.7
59.01381	5.9
61.74883	0.7
64.35055	0.8
67.50575	0.7
72.99305	5.2
81.50794	0.8
87.00878	17.0
89.26882	0.7
96.96040	1.1
103.00410	1.8
105.03503	4.0
107.05070	3.1
117.03541	1.0
125.02412	0.8
130.99893	1.1
132.20522	0.8
133.02960	11.0
134.03731	4.8
135.04538	100.0
149.00937	79.7
151.03979	1.0
177.01988	1.6
179.03519	89.2
195.03006	1.6
196.03482	1.0
311.04123	8.7
331.06857	1.6
475.50000	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00885	0.7
53.99462	0.8
56.79932	0.8
57.70388	1.0
58.30713	0.9
59.01402	5.4
61.98838	100.0
98.25030	1.0
129.12012	0.9
131.97180	1.0
242.75525	1.0
287.37119	1.0
360.06610	1.0
462.37292	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.1573
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
53.12997	0.7
55.64105	0.6
75.23238	0.6
83.01385	1.0
85.02974	1.5
92.10869	0.8
96.80769	0.7
107.00707	1.0
107.01385	3.3
119.05044	1.7
136.01662	0.9
143.05069	1.0
147.03011	7.5
151.00369	17.7
159.04436	1.0
163.00342	5.3
163.04015	3.8
164.01134	1.0
169.01479	1.1
178.99811	4.8
187.03975	5.0
189.01973	1.0
199.04004	5.9
201.01826	0.9
203.03584	10.2
214.02779	1.5
215.03604	9.0
217.01367	1.4
230.02061	0.9
231.03000	11.4
242.02177	4.5
243.03021	15.7
258.01700	1.3
259.02509	28.4
269.00925	1.4
270.01761	5.2
271.02509	35.8
285.03830	1.8
286.01196	1.7
287.02008	52.0
301.03589	4.4
313.03479	1.6
315.01526	95.5
316.02267	21.9
317.02798	1.1
318.05975	0.8
330.03876	98.3
331.04630	44.0
395.58447	0.8
443.55969	0.8
580.96313	0.9
639.15784	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	635.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28793	0.2
59.01384	100.0
67.30154	0.2
71.01386	2.2
85.02953	0.5
86.01142	0.2
89.02435	3.1
92.10081	0.5
97.34501	0.2
101.02431	1.1
113.02444	1.0
119.03486	1.5
129.19687	0.2
144.47543	0.3
146.14941	0.3
161.04517	0.4
163.19067	0.3
165.66620	0.3
166.73904	0.3
176.30931	0.2
605.30914	0.3
626.73413	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98843	1.7
75.70617	0.7
76.62585	0.7
81.96882	0.7
82.70795	0.7
98.00912	0.7
134.95712	0.7
148.83255	0.8
192.00668	0.9
475.11343	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	635.2572
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50879	0.4
52.48158	0.5
57.03471	5.9
59.01394	68.7
61.86828	0.5
64.29375	0.5
71.01397	8.2
71.05038	2.7
72.99329	0.8
73.02960	3.5
83.01408	2.5
83.22330	0.5
84.13347	0.6
85.02959	3.9
85.06602	2.3
87.00889	2.1
87.04536	1.1
89.02467	5.8
89.31541	0.5
95.01359	0.7
99.00913	0.7
99.04517	11.1
99.08173	2.7
101.02443	7.5
103.00376	13.2
113.02457	2.9
115.04033	6.1
115.07645	1.1
117.05585	8.5
119.03509	2.4
125.02453	0.6
127.00343	3.4
133.02971	3.0
134.03778	4.5
135.04539	15.6
143.07118	3.9
145.01448	5.4
147.02979	2.5
149.00888	0.8
161.08211	100.0
163.02504	28.5
163.03712	0.7
177.01936	1.0
178.02701	0.6
179.03525	12.0
179.05235	0.7
179.05627	0.6
193.05066	4.8
203.09285	14.4
211.61884	0.6
300.06821	0.6
325.05701	8.8
343.20551	0.6
387.16693	2.7
531.24695	5.1
549.25391	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	632.215
Annotation	Unknow
Peak:m/z	Relative Intensity
52.75534	0.2
52.75844	0.3
54.37666	0.3
61.98839	100.0
83.76195	0.2
83.83691	0.2
88.24653	0.3
92.10756	0.3
93.03482	0.7
94.03804	0.4
119.29734	0.3
119.94043	0.3
134.03723	1.4
135.04080	0.3
149.06036	0.5
150.06487	0.3
199.97617	0.4
253.04903	0.4
254.05344	0.4
294.26569	0.3
304.02271	0.3
421.15417	0.7
477.18463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01374	0.2
61.03644	0.1
61.98836	100.0
93.03448	0.3
97.10843	0.2
98.45528	0.2
119.05030	4.4
120.05367	2.0
121.05557	0.2
128.85316	0.2
134.03729	1.1
135.04097	0.4
136.04312	0.2
149.06084	0.9
150.06413	0.3
195.20197	0.2
201.29784	0.2
255.20477	0.2
374.10620	0.2
421.15802	0.2
571.22827	0.4
572.22845	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.314
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	4.5
59.01384	8.8
61.98830	1.7
70.65893	1.0
71.01376	6.0
71.05029	1.3
73.02969	1.8
74.59071	1.3
80.02653	1.7
83.05035	4.2
85.02956	1.0
87.00866	1.7
88.45319	1.0
89.02457	2.1
92.09945	1.7
95.05022	2.1
95.97231	1.2
97.06583	13.8
101.02444	4.7
101.16898	1.0
101.46345	1.1
113.02448	1.9
116.92854	2.0
123.08141	9.8
125.02470	4.3
125.09721	100.0
139.03947	1.2
161.04614	1.5
163.11340	2.1
165.12856	2.1
169.08684	1.4
171.10312	1.6
181.12358	1.3
183.02730	1.2
187.09772	54.1
191.10672	1.5
201.67130	1.2
209.11858	59.4
210.12126	1.1
227.12889	2.4
253.09352	4.5
305.72516	1.3
405.17590	1.9
423.18695	8.8
615.29919	4.1
633.31396	68.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	14.0
61.98842	16.9
71.01404	4.8
88.38783	3.2
92.10706	4.7
93.03489	5.9
100.13453	3.1
108.02194	12.1
119.05028	48.3
121.02980	15.4
123.04544	4.0
134.03738	60.8
148.01671	3.7
149.02449	20.1
149.06084	20.1
150.03212	13.6
161.02454	19.1
162.03215	4.8
164.04817	34.0
165.05574	30.3
177.05606	32.5
179.07104	3.8
253.08675	5.4
267.10306	31.5
268.07257	4.0
271.09830	5.2
283.09940	6.0
285.11374	6.3
393.54742	3.3
569.21857	100.0
591.76324	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	632.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62368	0.3
51.04477	0.3
59.01366	0.3
59.57481	0.3
61.98838	100.0
65.09460	0.3
70.71005	0.3
89.81564	0.4
92.10203	0.6
98.69758	0.3
107.01369	0.4
134.03748	0.7
137.53722	0.3
149.06122	1.3
169.96573	0.4
185.80870	0.4
234.62834	0.4
355.10693	0.4
657.15149	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.8
59.01387	100.0
71.01403	1.2
83.01400	0.9
87.72863	0.6
88.98791	0.8
89.02477	0.8
90.82971	0.6
92.10863	1.2
93.03478	0.8
99.04559	0.9
101.02470	1.2
101.37175	0.7
115.36567	0.6
121.02946	2.7
122.03716	5.3
124.09296	0.7
125.02471	3.1
135.04518	0.9
147.04553	0.7
149.02452	47.6
150.03235	43.1
151.00391	2.8
151.03970	0.9
153.05585	0.7
161.06030	0.7
161.07256	2.9
163.03922	0.7
164.04803	14.5
165.05577	57.9
175.08865	0.7
180.04312	3.6
181.05064	3.4
189.06734	7.9
193.08740	2.6
195.06657	31.4
196.07452	5.4
197.08133	1.4
203.08243	2.7
203.11841	0.8
209.67159	0.7
211.09802	3.4
229.09846	2.7
255.03084	1.0
271.02628	4.6
299.01999	8.0
301.03598	4.6
305.11502	2.9
313.10925	0.6
317.66006	0.6
323.12582	5.3
344.12750	13.5
359.15073	67.6
360.15616	1.1
365.13345	0.9
389.15930	1.2
407.17218	39.0
408.17599	0.9
444.39816	0.8
446.08716	1.3
467.16782	0.9
593.15222	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	629.2406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34542	3.1
59.01394	12.3
59.28228	2.3
61.98829	3.9
71.01406	4.5
73.19133	2.6
75.85748	2.6
76.71983	2.8
87.97223	2.9
89.27834	2.8
92.10102	5.4
93.03448	4.2
106.04256	5.0
108.02188	4.7
119.05039	48.5
121.02965	19.5
122.03762	2.7
123.04559	3.2
134.03748	53.0
148.01743	4.0
149.02470	18.9
149.06093	17.5
150.03221	12.8
161.02460	24.4
164.04852	24.0
165.05606	34.8
177.05566	28.4
179.03525	3.6
179.07138	4.3
191.46942	3.2
216.59387	3.5
225.05504	5.7
255.06444	3.3
267.10211	26.2
268.07309	4.9
269.11850	3.4
283.09702	6.7
285.11340	4.3
298.67111	3.2
332.85968	3.0
369.57318	3.4
414.90778	3.2
460.72684	3.1
477.33603	3.6
569.21912	100.0
641.26733	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	629.2464
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.8
59.01387	100.0
71.01403	1.2
83.01400	0.9
87.72863	0.6
88.98791	0.8
89.02477	0.8
90.82971	0.6
92.10863	1.2
93.03478	0.8
99.04559	0.9
101.02470	1.2
101.37175	0.7
115.36567	0.6
121.02946	2.7
122.03716	5.3
124.09296	0.7
125.02471	3.1
135.04518	0.9
147.04553	0.7
149.02452	47.6
150.03235	43.1
151.00391	2.8
151.03970	0.9
153.05585	0.7
161.06030	0.7
161.07256	2.9
163.03922	0.7
164.04803	14.5
165.05577	57.9
175.08865	0.7
180.04312	3.6
181.05064	3.4
189.06734	7.9
193.08740	2.6
195.06657	31.4
196.07452	5.4
197.08133	1.4
203.08243	2.7
203.11841	0.8
209.67159	0.7
211.09802	3.4
229.09846	2.7
255.03084	1.0
271.02628	4.6
299.01999	8.0
301.03598	4.6
305.11502	2.9
313.10925	0.6
317.66006	0.6
323.12582	5.3
344.12750	13.5
359.15073	67.6
360.15616	1.1
365.13345	0.9
389.15930	1.2
407.17218	39.0
408.17599	0.9
444.39816	0.8
446.08716	1.3
467.16782	0.9
593.15222	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	629.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20750	0.1
57.13605	0.1
59.01377	1.2
61.98843	0.2
70.19243	0.1
72.14968	0.1
79.78504	0.1
86.84694	0.1
93.03458	13.7
106.04305	0.2
108.02179	2.3
119.05031	100.0
120.05374	0.2
121.03005	0.2
122.03791	0.2
123.04538	1.4
134.03749	43.5
135.04604	1.2
136.01698	0.6
137.02419	0.1
140.06738	0.1
145.02991	0.2
146.03754	0.3
147.04559	0.2
149.06094	26.0
150.03192	0.3
151.04056	1.3
161.02551	0.1
163.04037	0.2
165.05592	1.3
176.30695	0.1
194.86685	0.2
211.04019	0.3
213.05780	0.1
221.06268	0.2
224.04843	1.8
225.05614	0.3
226.02818	0.2
226.06238	0.2
227.03600	0.5
236.04730	0.3
237.05591	1.7
238.06421	0.6
239.03528	1.0
240.04292	0.6
241.05161	0.8
249.05557	0.2
250.06248	0.2
251.03506	2.4
251.07268	0.1
252.04274	0.5
252.08098	0.2
253.05089	1.3
253.08739	0.2
254.05928	0.9
255.06575	0.3
265.05048	2.3
266.05975	0.9
266.97650	0.1
267.06665	0.8
268.03943	0.2
268.07593	0.2
269.08176	0.2
279.06888	0.3
281.04794	0.5
281.08313	1.5
282.05545	1.0
283.06134	1.4
295.06503	0.2
295.09814	0.8
296.07306	0.2
297.07764	2.1
300.08038	0.2
301.10965	0.6
311.09430	1.0
312.08148	0.5
313.11047	2.7
315.10413	0.2
319.09818	0.2
327.12393	0.9
328.07330	0.2
329.08209	0.2
339.06772	0.2
340.07477	0.7
341.08322	0.8
343.09891	0.6
344.07123	0.2
344.10699	0.2
356.07022	0.2
357.07724	2.1
369.07864	0.3
371.09238	0.6
372.06323	0.2
372.10498	0.3
373.10864	2.7
387.08606	2.6
387.12808	0.6
389.10059	0.2
391.12030	0.2
402.11047	0.2
403.12054	0.2
407.15057	0.3
417.13525	6.5
419.15210	12.4
433.16702	5.6
433.22656	0.2
447.14612	0.2
449.16193	6.3
463.17999	0.7
468.28430	0.2
569.21936	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	629.2401
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34109	5.0
54.82802	5.6
59.01386	55.9
65.86674	4.4
71.01376	6.5
73.84350	4.3
82.67445	4.9
88.81460	4.6
95.45478	4.4
101.66979	4.0
103.77788	4.6
116.92869	5.5
119.05036	43.4
121.02959	5.1
122.24139	5.0
134.03722	24.8
149.02480	11.9
149.06091	19.5
161.02426	28.4
164.04761	21.2
177.05537	39.7
179.03421	6.1
285.11249	11.5
535.82288	4.6
569.21820	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	629.24
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98222	0.6
54.82930	0.8
56.42775	0.5
59.01397	3.5
65.72703	0.6
73.99186	0.7
74.29981	0.8
92.10773	2.8
93.03454	100.0
108.02189	5.3
109.02975	0.7
117.03464	1.2
119.05049	0.8
121.02957	4.6
121.28776	0.7
123.04525	5.8
133.02992	0.9
134.03743	80.1
135.04503	3.2
145.02992	1.8
149.02487	1.0
149.06093	58.1
151.03998	1.5
165.05505	1.4
173.31088	0.7
209.06123	3.1
224.04884	1.0
225.05608	4.3
233.56889	0.7
237.05641	1.5
241.05042	3.2
252.04341	5.2
253.05090	74.3
254.05569	0.8
263.03656	0.9
265.05042	3.4
266.05856	3.9
267.06686	13.5
268.07410	1.7
280.03839	0.8
281.04611	1.3
281.08209	1.6
283.09799	0.9
293.04553	1.5
294.05392	4.0
295.06250	5.9
301.08755	4.6
309.07733	9.1
311.09317	1.0
312.08148	1.0
314.09558	0.8
315.10379	3.2
323.09442	1.2
325.11218	2.6
327.10165	0.9
329.08228	7.2
330.55579	0.9
339.12427	4.4
340.07355	3.9
341.07889	1.1
343.09760	3.9
344.10556	8.8
345.11230	1.6
354.09146	0.9
355.09897	1.4
357.07623	5.9
359.12839	3.1
371.08990	1.7
372.10187	9.6
373.10736	0.9
378.40924	1.0
387.12552	6.9
389.10385	8.0
404.12875	0.8
417.13608	1.4
419.15091	62.9
433.16577	12.5
445.12930	1.4
475.17700	47.8
476.17709	1.1
518.96948	1.0
569.21875	73.3
638.73376	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57838	0.3
59.01387	0.7
59.71324	0.3
63.15613	0.4
65.00340	0.5
77.51306	0.3
93.03432	0.3
99.34921	0.4
107.01398	2.0
110.78332	0.4
114.22811	0.4
125.02444	0.8
132.02205	0.9
133.02943	0.5
135.00902	0.8
142.58859	0.4
151.00366	2.5
158.03578	0.4
163.00420	0.8
177.01996	0.5
181.36227	0.4
183.04478	0.6
185.06126	0.9
187.03984	1.8
189.05669	0.7
191.00304	0.4
199.03854	0.4
201.05588	0.5
211.04012	2.4
213.05624	0.6
227.03528	37.6
228.04105	0.7
229.05101	5.8
239.03421	0.8
241.05115	0.7
255.03014	64.4
256.03699	4.3
257.04590	3.4
257.38287	0.5
283.02615	0.7
284.03296	100.0
285.04068	35.6
327.05127	0.6
452.42944	0.5
593.15240	69.0
594.15533	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	629.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	4.7
64.34061	0.3
69.03459	0.5
71.66925	0.3
77.03964	0.4
81.03459	4.0
83.01402	5.0
93.03452	2.8
95.01376	0.7
95.05032	7.7
97.02947	11.4
99.04502	0.5
107.05034	0.8
108.02221	0.9
109.02959	42.8
117.03493	0.5
119.05036	2.6
121.02953	5.7
122.03714	2.2
123.04527	31.4
124.01638	0.6
125.02444	25.4
133.02974	0.7
135.04515	4.1
137.02457	14.6
138.03250	0.8
139.04013	7.2
145.02951	2.6
146.03731	1.6
147.04512	1.6
149.02449	9.2
149.06113	0.6
150.03256	2.0
151.04033	16.0
157.06607	0.8
158.03717	0.5
159.04529	5.1
159.08080	0.4
160.05283	2.2
161.02449	1.9
161.06113	9.7
162.03209	2.6
163.04079	4.4
164.01183	5.9
165.01935	5.6
166.02679	0.9
167.03493	3.5
173.06064	0.9
174.03276	0.7
175.04068	4.0
175.07664	3.8
177.01930	1.8
177.05597	0.7
179.03517	7.8
185.06142	2.3
187.04031	8.3
188.04819	6.5
193.39655	0.4
199.07664	0.6
200.55272	0.4
201.05417	1.2
202.06415	4.8
203.07176	21.3
205.05086	14.3
212.04768	0.8
217.08688	0.4
221.08260	5.6
227.07289	2.7
229.05045	0.7
230.05891	0.7
245.08229	23.8
247.06184	1.8
271.06235	0.9
281.99814	0.4
289.07230	100.0
290.07547	0.6
325.96460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
59.01386	9.4
65.00314	0.4
65.03954	4.0
67.01883	1.9
71.01379	5.8
73.02936	1.7
83.01389	1.6
85.02946	2.6
87.00874	0.8
89.02450	4.9
91.01888	34.5
93.03470	0.6
95.01391	0.6
101.02443	6.0
104.94511	0.4
108.02201	0.5
109.02952	42.4
113.02448	2.3
119.03504	1.9
120.34222	0.5
121.02955	3.0
123.04517	0.5
125.02439	2.0
128.89798	0.4
133.02910	0.5
135.00880	98.4
137.02452	2.5
143.03503	0.4
148.01665	0.7
149.02467	1.6
151.03983	0.9
151.92818	0.4
153.01939	100.0
159.21411	0.4
161.04568	1.7
165.12799	0.6
173.74883	0.4
175.03993	1.9
175.38945	0.4
177.01927	7.1
179.05612	0.9
183.13908	7.9
184.14218	4.3
184.84560	0.5
185.14447	0.8
189.01926	1.8
195.02971	2.8
227.12900	0.6
243.06674	0.8
255.52225	0.5
261.04166	0.7
274.80429	0.4
279.05115	3.9
297.06165	12.4
314.04694	0.4
341.06848	1.0
459.11490	42.3
465.11951	0.6
626.27386	4.8
627.27881	9.1
627.37317	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.5578
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40330	0.1
53.15401	0.1
54.24196	0.1
66.47238	0.1
86.28564	0.1
92.10148	0.3
192.98148	0.1
195.26160	0.2
229.79338	0.2
255.31419	0.2
267.61197	0.2
269.24899	100.0
270.25208	1.1
300.76602	0.2
379.66562	0.2
381.55261	0.2
430.03775	0.2
508.65637	0.2
530.63708	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	629.129
Annotation	Unknow
Peak:m/z	Relative Intensity
62.42071	0.3
63.02416	0.5
93.03491	1.7
107.01413	2.8
109.02946	1.6
109.52998	0.4
114.26516	0.5
121.02994	0.5
135.00916	1.9
137.02489	0.5
143.05026	0.9
151.00397	3.2
157.06647	0.5
159.04532	1.7
163.00400	4.2
165.01903	0.5
169.01433	0.5
169.06549	0.9
171.04578	0.6
178.99916	0.7
185.06026	3.0
187.04016	4.6
189.05655	0.9
195.04541	0.8
197.05968	0.6
199.04091	0.8
211.04068	3.2
213.05692	3.3
214.02783	0.8
227.03548	44.9
228.04062	0.8
229.05106	17.3
239.03488	2.8
240.04248	0.6
241.05057	2.4
255.03029	75.8
256.03760	5.8
257.04572	9.7
267.03094	0.9
283.02762	0.5
284.03308	88.7
285.04083	100.0
286.04596	0.8
300.71661	0.5
327.05118	0.7
427.06161	0.5
467.44925	0.5
511.73392	0.6
593.15277	89.3
594.16010	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1577
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	2.3
57.58726	1.0
59.01384	11.0
63.02409	1.5
65.00325	12.8
66.60384	1.1
71.01382	1.7
72.91839	1.0
73.02917	1.4
74.50460	1.2
75.44741	1.0
76.81165	1.3
81.18217	1.2
83.01392	8.4
95.01371	1.3
98.70325	1.2
101.02423	1.5
107.01402	23.8
107.96515	1.2
108.02147	1.2
109.02938	1.4
121.02915	2.6
123.00904	2.5
123.04507	2.1
124.01682	6.0
125.02444	22.6
131.07120	2.6
135.04588	2.2
137.02437	2.8
138.03207	1.6
139.00377	2.1
139.04019	5.1
147.37975	1.5
149.02417	5.3
151.00388	100.0
151.04030	13.2
151.54132	1.2
152.01167	28.4
159.04442	2.0
161.02412	1.6
163.03966	1.5
165.01898	4.7
166.02705	20.7
167.03477	8.2
167.04778	1.8
169.01421	6.2
171.04550	1.4
175.00356	6.0
175.03883	1.5
178.99876	55.5
187.04001	5.1
190.02713	2.5
190.99910	2.0
191.03481	9.2
192.00661	12.6
193.01428	17.8
199.03989	1.4
211.03999	1.7
212.04683	1.6
214.02739	2.3
215.03552	19.4
216.04257	1.7
227.03560	2.2
229.05103	2.0
231.03017	1.6
233.04546	1.3
255.03015	5.3
257.04504	8.8
259.02505	1.6
273.04001	2.1
279.23230	1.5
283.02521	5.2
289.07040	2.8
300.02780	13.5
301.03589	55.1
313.09308	5.2
318.03897	2.8
319.04596	6.7
339.07272	9.1
355.06717	6.6
433.67676	1.5
463.08871	7.8
465.10471	52.6
525.97021	1.4
581.22815	9.4
627.15637	18.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1576
Annotation	Unknow
Peak:m/z	Relative Intensity
58.54051	2.1
59.01385	4.0
63.02376	2.3
65.00347	7.7
78.39147	1.9
83.01386	3.6
86.14307	1.9
107.01417	17.2
109.02962	4.2
122.90009	2.3
123.48802	2.4
125.02419	18.5
128.87000	2.2
137.02446	3.4
149.02458	3.3
151.00381	87.1
151.04018	4.2
151.08691	2.4
152.01230	4.1
153.01962	27.7
160.00375	2.4
165.01974	9.6
166.02740	3.9
167.03577	3.9
169.01466	14.2
175.00343	23.3
178.99881	100.0
181.01460	11.8
192.00620	3.4
193.01436	21.0
211.03992	5.0
214.02736	3.9
215.03555	31.2
239.03552	7.9
255.03111	3.5
256.03888	3.7
257.04581	26.2
258.71664	2.2
272.03223	2.6
282.01624	3.7
283.02545	3.2
300.02893	9.5
301.03531	37.1
302.59833	2.5
313.05609	2.3
319.04773	11.6
339.07294	3.3
341.05124	18.3
374.05307	2.2
463.08936	18.6
465.10669	27.1
627.15070	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	625.2516
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43203	0.7
59.01390	100.0
65.24829	0.8
71.01399	1.7
77.19576	1.0
85.02945	1.1
97.41957	0.9
101.02443	1.3
102.74483	0.8
107.30774	0.9
109.02837	1.0
125.02444	4.2
151.04039	4.3
165.05600	1.4
169.01482	1.5
173.02591	1.3
231.56702	1.2
251.36597	1.0
270.66525	0.9
323.09827	1.0
371.66275	0.9
579.65436	1.3
625.37994	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	626.1375
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06719	0.1
51.03998	0.1
51.18074	0.1
57.03469	0.8
58.31083	0.1
59.01399	0.1
63.89232	0.1
65.99880	0.2
72.99301	1.5
75.45766	0.1
75.53647	0.1
83.01380	0.1
85.02959	3.5
95.05083	0.1
101.02454	0.7
103.04038	0.2
105.03490	0.2
107.05017	0.2
111.47735	0.1
119.05031	0.3
123.00900	1.8
124.01670	4.6
129.01970	1.6
133.02969	2.1
134.03795	1.3
135.04547	6.3
145.01427	0.2
147.03020	10.7
149.06104	0.2
153.00697	2.0
154.01486	100.0
155.01868	0.3
163.02495	0.5
163.03981	0.2
177.01923	1.0
178.02679	0.5
179.03531	4.2
193.05118	0.7
194.05463	0.3
211.07172	0.1
239.90335	0.1
241.08798	0.7
242.09012	0.2
316.06799	27.7
317.07028	0.2
462.05502	0.2
528.30737	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	5.5
67.49986	0.5
72.99335	1.1
75.86430	0.4
76.50556	0.7
82.09158	0.5
83.01388	0.5
85.02989	0.8
87.00882	9.6
96.11008	0.5
96.96033	2.1
103.00399	2.9
112.98794	5.0
119.05033	66.6
124.01637	0.5
125.02461	10.7
133.05077	0.8
135.04518	0.7
149.00937	16.6
151.00424	2.4
163.04030	100.0
164.04382	0.7
168.00740	1.9
169.01445	14.9
181.28972	0.5
247.81879	0.5
295.04651	21.5
331.06787	12.7
427.82587	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2152
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.0
57.71555	1.3
59.01389	24.0
71.01388	17.9
73.02954	2.4
83.01385	3.5
85.02989	8.8
85.03484	1.4
87.00895	3.9
88.98793	1.5
89.02438	12.0
99.00908	2.0
101.02453	11.6
108.02173	11.8
113.02464	9.9
119.03510	2.4
121.06602	2.1
122.03721	3.8
123.04538	7.9
124.01672	6.1
125.02425	11.4
134.03743	40.9
135.04573	6.6
136.01662	30.4
136.02608	2.4
137.02490	1.9
138.03232	1.8
139.03993	15.3
149.02460	9.8
149.06094	34.9
150.03252	34.8
151.04030	100.0
153.05588	5.8
159.32431	1.5
161.02486	2.2
161.04601	2.5
163.03999	1.8
165.01909	2.0
165.05594	78.6
169.01495	2.9
177.05518	1.6
186.59627	1.6
257.11877	7.9
301.10870	37.3
463.15091	11.5
475.14651	10.5
489.16248	2.6
585.93213	1.9
625.21655	66.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03476	1.0
56.54756	0.9
57.03452	1.7
59.01385	100.0
63.11814	0.9
70.60525	0.9
71.01379	14.8
72.99315	1.3
83.01400	2.1
85.02956	6.3
87.00852	1.0
88.66713	1.0
89.02425	7.5
90.74083	1.1
92.93303	1.0
95.01393	1.3
97.02930	1.8
99.00905	4.8
101.02444	9.0
108.00205	1.1
108.02188	7.2
109.02963	1.1
109.45623	0.9
113.02471	9.2
114.65660	1.0
119.03507	2.2
121.02958	4.1
123.04541	1.9
125.02446	8.0
134.03752	15.9
136.01692	9.5
137.02457	2.5
149.02466	4.2
149.06064	10.1
150.03218	13.0
151.04030	32.8
161.04565	9.2
163.03993	1.3
165.01892	1.2
165.05585	23.2
169.01422	1.7
179.05907	1.2
200.54132	1.1
255.06454	1.5
301.10876	10.1
323.09860	22.5
363.08517	1.1
419.04190	1.8
565.09875	1.9
570.55383	1.1
625.21417	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	625.2149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03476	1.0
56.54756	0.9
57.03452	1.7
59.01385	100.0
63.11814	0.9
70.60525	0.9
71.01379	14.8
72.99315	1.3
83.01400	2.1
85.02956	6.3
87.00852	1.0
88.66713	1.0
89.02425	7.5
90.74083	1.1
92.93303	1.0
95.01393	1.3
97.02930	1.8
99.00905	4.8
101.02444	9.0
108.00205	1.1
108.02188	7.2
109.02963	1.1
109.45623	0.9
113.02471	9.2
114.65660	1.0
119.03507	2.2
121.02958	4.1
123.04541	1.9
125.02446	8.0
134.03752	15.9
136.01692	9.5
137.02457	2.5
149.02466	4.2
149.06064	10.1
150.03218	13.0
151.04030	32.8
161.04565	9.2
163.03993	1.3
165.01892	1.2
165.05585	23.2
169.01422	1.7
179.05907	1.2
200.54132	1.1
255.06454	1.5
301.10876	10.1
323.09860	22.5
363.08517	1.1
419.04190	1.8
565.09875	1.9
570.55383	1.1
625.21417	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	625.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35804	1.4
61.20177	1.6
64.49148	1.6
65.00325	2.8
68.37054	1.6
83.01394	2.2
95.95446	1.7
107.01376	4.0
109.02944	2.1
116.92895	2.4
125.02476	3.1
131.07114	2.7
137.02477	9.3
151.00363	41.2
163.00343	2.0
166.11523	1.8
169.01393	3.2
173.08200	2.0
177.43379	2.1
178.99832	29.8
203.03493	10.9
214.02654	2.0
215.03531	8.0
231.02983	4.1
242.02237	2.6
243.03105	18.4
259.02472	23.2
270.01453	2.8
271.02460	37.3
287.01999	42.5
315.01492	73.7
316.02261	93.6
317.03040	63.3
463.09009	41.2
478.07623	20.8
479.08539	16.6
625.14191	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	625.1421
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44957	0.4
58.68044	0.3
59.01385	4.9
60.82548	0.4
65.00324	0.5
67.16464	0.4
71.01387	10.3
72.99332	1.6
83.01427	0.9
87.00906	3.0
89.02477	1.0
93.03442	0.5
107.01416	2.0
109.02977	1.0
109.59934	0.4
113.02472	0.5
115.00388	28.3
119.05032	11.1
121.02939	2.1
125.02450	0.5
130.08734	0.7
133.01445	72.3
133.03021	2.7
134.03722	2.3
135.04538	24.7
139.93925	0.5
149.00932	5.4
151.00388	7.8
163.00394	0.9
163.04031	12.6
167.03552	1.9
171.04549	0.9
172.09801	1.0
175.00378	0.6
177.01898	0.7
178.99896	1.1
179.03535	20.0
187.04079	0.6
199.03992	4.2
203.24236	0.5
207.41678	0.5
215.03566	2.2
217.00331	0.8
226.02556	0.6
227.03452	4.2
243.02962	5.7
254.02295	1.0
255.02951	2.2
271.02539	64.3
295.04605	5.9
299.02026	100.0
299.99438	0.9
300.02780	9.6
301.03595	43.0
343.04803	0.6
373.32385	0.6
389.03867	0.5
462.08115	15.8
463.08939	19.2
595.25195	0.5
625.14233	52.7
645.56946	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.1418
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03439	0.9
59.01391	2.4
64.35522	0.8
66.07800	0.8
71.01393	4.1
75.64611	0.8
77.40507	0.9
80.43285	0.9
80.49563	0.8
81.05126	1.0
87.00886	1.1
107.01389	1.9
108.02194	1.0
109.02950	1.1
119.04987	1.3
121.02942	6.3
124.01640	1.7
125.02454	4.1
126.43449	0.9
133.01424	2.1
137.02444	4.2
138.89151	0.8
148.01807	0.9
151.00401	11.1
152.01128	4.4
157.06464	1.0
163.00348	1.4
164.01198	1.8
169.01384	1.7
178.99895	8.5
185.78622	0.9
192.00470	1.2
197.09616	1.7
199.07602	0.9
214.02863	7.9
226.45944	1.1
227.03528	1.5
241.08739	63.3
242.02161	6.1
243.02980	6.1
255.03140	1.4
259.02582	7.4
270.01810	9.7
271.02515	54.5
287.01993	30.1
288.02811	1.3
299.01941	1.2
300.02902	10.5
301.03546	1.7
315.01611	1.3
316.02283	100.0
317.03073	9.2
344.57428	1.1
403.14194	11.8
625.14130	69.1
625.24536	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	623.1625
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
65.00338	0.8
75.95021	0.7
80.64670	0.8
86.89326	0.7
91.04395	0.8
94.45181	0.7
100.81071	0.8
107.01392	1.6
113.38911	0.7
122.66770	0.8
148.01727	1.1
151.00377	7.3
164.63264	0.9
171.04575	1.0
183.04555	1.3
194.05707	0.8
199.04036	7.1
201.01910	1.3
211.03987	1.1
215.03543	3.2
219.06702	0.9
227.03497	5.7
241.64395	0.8
242.02194	4.3
243.03020	41.6
243.05537	1.5
244.03745	3.8
254.02199	1.8
255.02995	26.8
257.04639	4.2
270.01736	4.9
271.02521	68.5
272.03210	5.4
285.04095	7.4
286.04770	1.5
287.05551	1.6
299.02014	68.6
299.99347	1.3
300.02798	53.8
314.04401	43.9
315.05164	100.0
400.05075	0.8
404.53311	1.1
623.16327	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54084	0.1
54.83415	0.2
56.16645	0.2
57.03456	0.5
59.01382	1.5
59.45847	0.2
71.01379	1.8
73.02947	0.2
82.00621	0.3
85.02949	2.3
87.00871	0.9
89.02447	0.5
92.10127	0.5
96.96012	0.5
99.00902	0.3
101.02457	1.2
110.00093	2.7
111.00894	0.3
111.04483	0.3
113.02476	2.3
119.05090	0.2
123.00875	0.5
124.01672	0.9
125.02441	3.9
133.02939	0.3
135.04530	0.9
136.01662	0.4
137.02451	1.0
137.99591	6.3
138.03233	0.9
139.00436	2.6
140.01154	0.5
149.00937	1.2
149.64746	0.2
151.00352	0.4
151.03989	0.5
152.01176	4.2
153.01949	100.0
154.02753	3.9
155.03500	1.3
161.04564	2.8
163.03996	0.3
165.05481	0.2
166.02739	1.3
167.03485	8.6
168.04292	45.6
169.05070	7.5
179.03549	1.4
193.05046	0.3
194.02220	0.3
196.03949	0.5
197.04633	0.4
202.44217	0.2
209.04607	1.1
239.05554	0.3
299.07883	0.5
310.55164	0.2
331.10403	28.3
332.10690	0.2
603.24969	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.402
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
153.37691	1.2
209.11832	15.3
277.21750	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	622.3086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02996	1.9
59.01427	0.5
90.24275	0.2
92.10133	0.3
105.03473	0.3
107.18945	0.2
125.96691	0.2
128.10817	5.6
128.43286	0.2
130.08739	100.0
131.09082	0.4
133.02943	2.6
172.09808	75.4
173.10080	0.3
177.01982	1.3
216.08803	3.2
217.00356	0.8
238.33322	0.2
270.35208	0.2
338.12122	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.0899
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02119	0.2
57.29593	0.2
59.01384	5.0
62.96242	0.2
63.28358	0.3
71.01360	0.4
72.99302	8.3
73.44041	0.3
76.58060	0.3
85.02946	0.4
87.00874	18.4
92.10134	0.3
99.72161	0.3
103.00372	5.4
105.01929	1.1
107.05035	1.0
112.98816	1.6
113.02462	1.1
117.03493	0.4
130.99857	1.3
133.02968	1.6
134.03758	4.9
135.04526	75.8
136.04878	0.3
140.18311	0.3
149.00923	100.0
169.27272	0.3
179.03505	73.4
281.08728	1.1
291.36371	0.3
311.04089	12.4
329.46594	0.3
477.37524	0.3
600.08899	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78287	0.9
53.92968	0.9
54.32700	1.0
54.82866	1.2
56.41846	1.0
59.01393	2.1
71.01384	2.7
74.39353	1.0
79.21002	1.1
85.45695	1.4
87.00969	1.6
87.37517	1.1
92.10678	1.4
93.03460	17.1
96.96008	1.7
96.99317	1.9
104.17020	1.3
106.17411	1.1
108.02157	1.9
115.00369	1.9
119.05009	19.1
123.04541	8.1
128.03508	1.4
131.05023	5.4
133.02982	8.1
135.04553	1.6
143.04948	7.2
145.02977	1.8
145.06631	5.8
147.04480	1.5
149.00940	1.6
159.04544	2.6
163.04066	8.0
171.04527	2.8
177.01913	2.6
177.05545	1.7
210.06943	8.6
211.07666	30.0
223.07675	4.8
234.02992	1.3
235.07668	9.8
236.08440	1.5
237.09244	57.3
238.09665	1.8
239.10855	10.4
241.29124	1.3
253.08841	5.0
255.05037	1.9
264.08020	4.9
265.08734	23.2
272.09006	1.3
309.07834	1.8
489.14059	100.0
490.15045	1.6
491.84161	1.5
609.27136	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	621.1472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	5.3
60.86361	0.6
64.61591	0.7
71.01382	16.6
71.01719	0.9
72.99337	2.7
85.02965	0.7
87.00894	3.8
88.74122	0.7
89.02453	2.8
91.09592	0.7
107.05083	1.4
115.00373	42.0
119.05016	14.5
119.05804	0.9
124.08683	0.7
125.02436	1.4
133.01433	100.0
133.03026	4.1
134.03754	9.5
135.04527	41.6
137.02437	1.1
149.00926	8.1
159.04512	0.7
163.04008	13.0
177.01921	1.5
179.03529	31.4
179.05142	1.4
185.50337	0.7
193.05087	5.6
211.07610	0.8
237.09279	1.2
257.11563	1.0
295.04688	5.2
325.05820	1.0
332.65112	0.8
355.57690	0.8
398.47971	0.8
440.88034	0.8
489.14069	4.0
585.23022	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.1175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	1.0
59.01391	2.2
61.98849	5.4
65.98282	1.1
68.78781	1.1
70.76145	1.0
83.01421	1.9
83.05068	1.1
107.01418	7.4
125.02444	2.2
133.03065	1.4
134.03734	15.1
135.04503	1.8
149.06126	5.5
151.00381	23.3
193.01376	1.6
202.12636	1.1
237.09286	1.5
238.02646	1.4
239.03571	2.8
251.03500	6.8
253.05006	1.4
255.03111	8.8
256.03741	2.8
281.04617	5.1
283.02490	7.0
284.03259	6.1
295.02612	1.4
305.04477	1.5
323.05707	2.9
359.05722	1.3
390.03833	5.2
391.04639	28.1
403.04657	29.4
405.06076	1.4
417.06265	11.1
422.06924	1.6
423.06891	1.3
489.14090	1.9
553.11682	6.6
585.14105	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	621.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01379	1.8
61.98827	1.9
63.02395	0.4
63.02848	0.2
87.00867	0.6
92.10870	0.6
92.66204	0.3
96.96062	0.3
105.04288	0.3
107.01373	1.3
108.02142	0.3
124.01614	0.4
133.03000	0.4
134.03720	0.7
136.01628	0.3
139.03934	0.4
143.04985	0.6
149.00949	0.4
151.00401	2.1
151.04007	1.3
153.29710	0.3
159.04530	0.4
171.10266	0.5
176.59584	0.3
182.03674	0.3
183.04503	1.9
184.60544	0.3
185.02525	0.4
187.04008	0.4
209.11928	0.5
227.03497	2.0
237.09106	0.4
255.03008	100.0
256.03757	12.8
283.02509	74.6
284.03281	26.6
285.03922	0.7
359.17325	0.3
368.10654	0.3
489.14111	1.4
585.13898	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	620.1843
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68337	0.2
71.01379	1.6
73.02933	0.4
80.12508	0.2
81.03429	0.4
85.02979	2.5
92.10680	0.3
93.03467	0.3
95.01382	1.2
101.02429	0.6
103.33667	0.3
108.02180	85.6
109.02969	26.1
113.02460	0.7
121.02969	1.7
123.00871	1.5
123.04504	1.2
125.02493	0.4
131.28525	0.3
133.02977	2.2
135.04514	1.3
144.03017	0.7
149.00894	0.3
151.04002	1.4
152.01164	73.4
153.01949	24.2
153.02876	0.3
163.04010	1.7
164.04828	0.4
165.01924	1.9
177.01982	0.4
179.03397	0.4
181.05031	0.3
193.16663	0.3
195.03093	0.4
216.08879	0.3
315.07285	100.0
316.07507	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	620.2151
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	0.4
61.98837	100.0
69.24715	0.3
75.25274	0.3
108.02182	0.4
109.95327	0.3
135.04498	0.4
145.49672	0.4
211.16576	0.3
406.57217	0.3
536.14648	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.2357
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	2.1
61.98837	100.0
68.22443	0.5
75.50910	0.4
78.36433	0.4
218.64198	0.4
221.20598	0.4
239.51323	0.4
254.08920	0.6
269.11902	0.7
270.12192	0.7
271.12372	0.7
337.37717	0.5
368.67056	0.6
615.63544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.1891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08453	0.9
58.61486	1.1
59.01385	10.8
66.60838	1.1
67.00407	1.1
71.01390	1.4
72.99328	1.6
81.55438	1.1
87.00877	11.4
89.38488	1.1
91.84955	1.2
93.77032	1.4
96.96039	6.3
103.00390	2.4
107.05016	2.3
111.53319	1.2
112.98853	6.9
116.92912	11.1
119.05028	83.1
123.00886	25.4
125.02530	1.6
133.02910	1.8
135.04550	2.1
137.02441	3.1
138.03239	33.7
149.00931	41.6
149.02039	2.1
153.05582	11.6
163.04025	100.0
166.99890	10.4
171.30136	1.3
179.03532	2.8
182.02223	35.2
197.04591	62.1
242.89452	1.2
249.65689	1.3
295.04578	17.5
299.07584	1.4
359.09824	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	619.2617
Annotation	Unknow
Peak:m/z	Relative Intensity
53.85953	0.4
55.01876	1.0
55.31100	0.4
57.03453	2.3
58.00607	0.8
59.01385	100.0
64.35177	0.4
66.09021	0.4
71.01382	29.8
71.01778	1.0
72.99301	1.9
73.02953	6.7
81.98933	0.4
83.01379	3.2
85.02955	12.4
87.00889	1.1
89.02441	24.8
91.93142	0.4
95.01376	3.3
99.00868	0.7
101.02444	16.8
107.69689	0.4
113.02457	20.0
113.03250	0.8
119.03503	10.5
124.32198	0.5
125.02425	0.9
131.03522	1.7
131.07155	3.9
143.03493	2.0
149.04572	0.9
161.04590	6.4
173.08252	0.8
179.05632	8.5
244.45923	0.5
289.56473	0.4
515.25043	18.4
533.26044	12.3
575.27161	3.0
611.30414	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77939	0.3
54.42405	0.3
55.01877	0.3
56.95516	0.3
57.03414	0.3
58.52256	0.3
58.57878	0.3
59.01393	0.9
60.89738	0.3
69.03465	0.4
69.40411	0.3
70.81239	0.3
71.01387	2.8
73.02969	0.6
78.84430	0.3
81.03506	0.5
85.02953	3.7
87.00892	0.9
95.01400	0.8
96.96011	3.0
98.95602	0.6
101.02448	0.6
108.02180	96.5
109.02964	26.2
112.20197	0.3
113.02445	0.9
119.05038	1.7
123.00902	0.9
123.04541	0.7
125.02456	0.8
133.02977	0.6
135.04512	2.4
136.04860	0.4
145.26669	0.4
149.00951	4.0
151.04060	2.6
152.01164	75.4
153.01949	26.3
163.04015	3.8
165.01927	1.9
169.01416	0.9
179.03513	0.9
195.02936	0.4
223.04959	0.4
225.03989	0.4
237.07513	0.4
301.05606	0.8
315.07275	100.0
316.07861	0.9
325.28183	0.4
330.01456	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70805	0.5
55.25335	0.5
55.99879	0.6
59.01380	8.0
61.98842	2.8
78.20751	0.6
80.02698	0.9
93.03495	1.0
106.04247	6.3
107.05040	27.0
107.05711	1.3
108.02180	38.6
108.02898	1.5
121.02948	18.0
123.04518	22.1
133.02948	7.6
134.03729	14.7
135.04529	100.0
138.03229	0.9
145.02966	1.2
147.04568	1.6
148.01698	1.2
149.01263	1.5
149.02443	23.6
149.06140	3.2
150.03181	1.1
161.02481	3.5
161.06178	1.0
162.03279	0.9
163.07588	0.9
164.04816	19.7
165.05547	2.9
168.04306	0.8
170.49458	0.7
177.05580	20.2
179.07121	5.8
184.05351	1.0
196.05316	1.7
199.07529	0.9
206.05843	1.2
211.04019	2.8
212.04834	6.8
215.74496	0.9
221.08177	14.5
223.03893	1.4
224.04863	6.5
225.05617	0.9
227.07169	31.1
239.07204	2.7
240.04314	32.8
249.85350	0.7
253.05005	5.6
255.06656	93.4
256.07291	1.0
267.06635	5.2
268.07462	1.7
270.09006	90.7
271.09518	1.1
282.08896	2.9
283.09793	3.5
285.11343	64.7
297.11359	4.6
315.12521	12.3
347.60013	0.9
393.69351	0.8
431.16031	0.7
451.17551	3.4
552.62683	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.3183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55625	1.4
59.01394	7.8
61.98864	3.5
68.01919	1.6
71.01396	2.7
83.05034	3.6
86.63318	1.6
88.98826	2.0
89.02445	1.7
97.47254	1.6
101.02483	3.0
119.59060	1.8
121.02944	1.9
125.02425	1.7
127.11270	2.7
141.18452	1.6
163.11334	3.0
165.12788	2.0
171.10294	100.0
208.63153	1.6
209.11870	83.4
227.12920	9.8
253.09297	4.0
312.08029	1.8
479.51169	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	617.1313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98024	2.5
57.71510	2.1
58.32145	2.2
59.01398	10.6
92.91866	2.5
93.03519	2.7
95.01432	3.2
97.02942	3.2
107.01438	3.5
108.02172	18.1
109.02983	28.6
121.02885	3.8
123.00913	3.6
123.04523	30.7
125.02454	84.0
133.02975	5.5
135.04578	4.6
137.02428	5.3
145.03003	10.6
147.04625	3.4
150.03262	4.4
151.00385	3.4
151.04065	18.3
161.02403	4.1
165.01945	4.9
169.01427	87.9
175.04002	2.5
177.01944	78.8
183.67755	2.9
187.04060	6.1
189.01962	67.8
190.02756	17.7
191.03535	12.7
193.01373	4.8
203.03506	6.3
216.00728	11.6
217.01454	47.6
219.03008	17.4
231.02969	10.8
232.03644	2.8
271.06012	3.3
272.71646	2.7
285.03931	2.7
289.07095	4.5
301.07205	6.4
313.07352	4.5
322.04843	3.5
323.05585	23.8
337.07156	4.0
341.06689	88.6
355.08374	3.7
364.31354	2.7
381.47922	3.0
384.09509	2.7
447.10968	12.6
455.17130	17.6
465.12039	100.0
465.18219	3.6
617.13208	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	615.2613
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	45.5
61.98845	2.4
64.34567	2.3
66.89398	1.9
78.32726	2.1
78.78328	1.7
86.86457	1.9
93.03455	3.8
119.05024	8.4
121.02975	5.2
133.02986	2.8
147.04575	5.4
148.05299	16.9
149.02467	5.2
163.07663	55.2
164.04773	11.3
171.89577	2.4
179.07199	4.8
213.50874	2.4
269.11880	100.0
386.16730	2.3
395.84921	2.3
639.49927	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	616.2205
Annotation	Unknow
Peak:m/z	Relative Intensity
58.55574	1.2
59.01387	35.7
61.98837	100.0
62.74611	1.1
103.12800	1.3
121.02933	2.2
125.80598	1.3
145.55275	1.4
149.02483	2.1
164.04785	1.4
239.07190	15.1
240.07565	5.6
253.08749	15.2
254.09200	10.9
255.10043	1.5
268.11041	3.2
269.11859	42.3
270.12216	28.6
325.40802	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.006
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25952	1.1
54.61707	1.4
58.39539	1.4
59.01389	100.0
63.55310	1.3
65.03327	1.2
69.32353	1.3
88.24695	1.4
100.71672	1.4
103.47356	1.3
115.02553	3.1
117.00475	2.7
132.98198	1.8
136.10982	1.7
159.01506	58.7
161.01222	2.0
174.99260	48.7
187.01071	2.5
201.02599	14.5
217.00320	64.6
223.89790	1.4
274.99387	6.6
290.97162	2.3
301.02731	14.0
317.00455	41.0
331.01947	1.9
332.98306	13.6
374.99380	18.2
474.99503	13.9
556.98193	21.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.0
59.01385	2.0
63.79845	0.7
63.93672	0.6
69.03464	1.6
71.01397	1.5
77.70097	0.7
81.03466	0.8
81.12952	0.8
83.01378	0.9
83.82458	0.7
85.02930	0.9
87.36372	0.8
88.98768	1.2
95.01369	1.7
95.05074	0.8
97.02944	1.6
97.40230	0.8
108.02184	18.0
109.02961	26.6
117.03474	0.9
121.02970	1.3
122.03777	1.4
123.00881	5.3
123.04523	27.1
125.02440	74.8
132.46735	0.9
133.02953	7.2
135.04568	1.4
139.03999	1.2
145.02974	13.9
147.04510	5.2
149.02425	3.9
150.03275	1.0
151.00352	1.2
151.04007	10.5
159.04523	4.4
160.01668	4.9
161.02423	3.4
161.06163	1.0
163.04002	1.2
165.01878	1.5
166.99872	3.5
169.01430	85.5
171.10236	1.7
175.04015	7.5
176.01158	1.6
177.01938	74.4
178.02397	1.0
187.04019	7.1
188.04820	1.4
189.01942	67.9
190.02739	16.7
191.03502	13.6
193.01440	5.2
198.70554	0.8
201.01909	6.6
203.03636	9.8
203.07245	1.4
209.11897	2.0
216.00673	14.9
217.01439	53.3
218.02148	1.8
219.03001	19.4
228.58569	0.9
231.00853	1.2
231.02995	17.0
254.06110	0.9
255.06873	0.9
258.05145	1.1
259.06027	1.4
271.03342	0.9
271.06073	7.6
281.04526	3.6
289.07309	6.6
295.06061	1.0
297.04059	1.5
297.07584	1.4
301.07291	12.5
301.10706	1.2
308.03424	0.9
313.07269	7.2
322.04767	3.3
323.02176	1.5
323.05646	20.7
337.07135	5.0
341.06693	84.9
342.07129	1.2
355.08218	4.8
407.14844	0.9
447.10864	14.5
465.11972	100.0
466.12201	1.4
467.09903	1.1
507.09540	3.0
555.64026	0.8
617.13129	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	615.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12780	0.5
58.27206	0.6
58.87674	0.5
59.01390	85.0
61.98841	5.8
71.27320	0.5
77.88313	0.5
93.03484	1.4
106.04253	6.7
107.05053	2.3
108.02203	2.6
119.94672	0.7
121.02958	9.5
126.50201	0.6
133.02980	3.1
134.03743	2.5
136.05293	1.0
138.03192	0.9
149.02470	13.2
149.06110	1.3
164.04817	16.2
168.04282	2.5
179.07193	6.2
193.06706	0.7
210.06898	3.3
220.93752	0.6
222.06868	0.7
223.07651	2.2
237.05566	3.6
238.06395	12.5
239.07179	27.7
240.79382	0.6
253.08760	82.8
254.09505	7.8
255.10278	0.8
267.01544	0.7
267.10324	1.2
268.11069	20.7
269.11899	100.0
285.11395	2.9
400.85751	0.7
555.24091	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	615.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12584	1.6
51.33391	1.6
59.01405	4.2
61.98828	3.5
87.00841	1.9
88.98782	2.4
92.10793	6.1
92.66525	1.6
93.03457	10.3
95.17208	2.8
103.45331	1.8
106.04258	9.5
107.05032	11.6
108.02174	8.8
109.02934	2.2
119.05029	7.5
121.02962	2.8
123.04496	10.5
133.02980	3.0
133.08133	1.9
134.03748	54.7
135.04529	88.5
147.04443	2.2
149.06062	20.7
195.04391	1.9
220.05365	2.1
221.05922	2.0
237.05562	4.8
248.04765	8.1
249.05466	11.9
250.06322	2.4
251.07153	9.4
253.08727	3.2
263.07114	4.0
264.04156	8.3
265.05069	60.6
265.07745	4.0
266.05734	8.9
277.09109	2.1
279.06631	28.2
280.07388	12.0
281.08197	44.0
283.09775	3.1
295.09769	100.0
365.85223	2.2
387.12527	2.7
401.13934	13.7
402.14764	33.4
403.15234	2.6
445.23926	2.3
573.81287	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	615.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	2.0
59.78790	0.9
61.98845	1.1
88.98827	1.6
93.03467	9.9
94.13225	1.0
95.49973	0.9
99.70103	0.8
102.32412	0.9
108.02193	15.2
115.91739	0.8
116.92860	2.1
117.03517	2.1
119.05019	28.9
123.04523	18.4
124.75924	0.9
134.03743	84.3
135.04568	1.7
145.02934	1.8
149.06094	54.0
162.46822	1.0
171.10323	1.8
172.54857	1.0
173.02322	1.2
175.04019	2.2
187.47168	1.0
207.08315	1.5
207.10320	1.7
208.09001	1.1
209.05997	2.2
226.06403	1.2
237.05508	2.3
238.04060	1.5
238.06400	32.1
239.03505	2.4
240.04271	1.2
249.05554	1.1
251.07178	5.4
252.07954	15.9
253.05183	2.1
253.08830	1.3
255.06795	1.4
265.05130	6.2
266.05884	14.1
267.06747	3.9
269.08212	3.8
279.06659	7.0
280.07376	5.7
281.08224	81.2
282.08685	1.0
283.06006	1.2
285.07675	1.9
295.06555	2.4
295.09781	34.0
310.08347	1.6
311.09320	2.3
325.10941	1.9
405.13617	1.5
431.15042	100.0
432.15729	1.7
555.20148	5.4
563.33624	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.2252
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70975	0.9
52.64500	1.0
59.01416	2.2
61.98849	2.5
86.85925	1.4
93.03455	16.6
106.04277	1.8
108.02183	5.8
109.02978	1.3
111.20719	1.3
119.05031	100.0
121.03024	1.3
123.04526	2.3
133.03041	1.7
134.03748	47.2
135.04524	2.5
148.01724	1.8
149.02464	2.0
149.06088	25.3
150.03261	1.8
151.04053	1.2
161.02577	1.2
162.03270	1.3
163.04045	2.9
165.05539	8.1
195.06598	2.6
237.05539	1.6
240.40164	1.3
251.03534	2.8
251.07086	1.4
252.04332	1.3
255.10344	2.3
265.05115	2.6
266.05930	1.2
267.06693	2.0
281.08063	1.9
283.06116	1.6
283.09592	1.9
285.11395	1.7
297.07904	1.7
301.10941	2.6
340.77783	1.3
373.10617	2.2
417.13577	7.9
419.14993	15.5
433.16647	6.6
449.16223	8.2
503.53778	1.4
555.20306	2.6
569.22064	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	615.1885
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	11.9
61.98842	6.2
68.00655	2.5
86.50033	2.7
88.98795	3.5
93.03463	4.4
103.00323	3.9
106.18889	2.9
108.02190	4.2
116.83221	2.9
123.04528	5.2
134.02715	3.2
134.03741	100.0
135.04601	3.0
145.55301	2.6
149.06093	61.4
171.10123	3.5
175.03955	3.2
212.80244	3.0
255.06622	5.9
257.00928	6.7
269.00980	17.6
269.08319	5.5
270.01761	3.3
271.02490	25.8
272.03009	3.6
281.01105	2.8
284.03250	4.6
285.04248	4.5
297.03946	3.5
311.09155	3.5
387.61063	2.8
405.13702	4.7
418.06656	3.1
419.07895	5.4
421.09464	28.2
433.09448	55.9
434.10129	5.2
555.19525	3.2
583.16211	40.7
615.19110	6.8
616.51440	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	615.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60323	2.0
54.83459	2.3
59.01389	4.6
59.06135	2.0
61.98846	5.1
63.83903	2.0
67.73499	2.0
74.62876	2.2
87.00905	3.4
108.02206	3.6
129.56178	2.8
134.03748	100.0
149.06088	46.9
163.02032	2.5
163.60480	2.3
189.01939	2.6
201.01958	3.7
227.03613	3.7
257.01007	10.0
269.00919	9.1
271.02545	15.0
284.03183	5.9
299.09207	2.8
403.04517	4.2
421.09348	11.4
425.12418	5.8
426.24570	2.8
433.09308	41.0
453.11981	5.5
583.16510	25.9
615.18616	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	615.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32445	2.2
57.61673	2.2
58.70407	2.3
59.01400	6.1
71.52934	2.9
82.65807	3.3
84.00460	3.0
86.61253	2.8
92.10019	5.7
93.03465	86.4
108.02199	4.5
115.51865	2.9
123.04514	4.0
134.03749	100.0
135.04480	3.1
149.06084	77.9
151.04099	3.6
155.43776	3.1
175.04050	5.2
175.36328	2.9
212.04808	11.0
223.07680	3.0
225.05530	3.0
226.06395	6.1
253.05128	47.6
253.07803	4.3
253.08614	4.3
255.06689	15.7
267.06665	14.6
268.07544	4.0
269.08264	28.0
283.09616	5.3
295.06122	5.1
309.07678	11.8
311.09338	17.1
329.08163	5.8
343.09875	3.5
344.10318	4.8
372.10510	3.8
375.91995	3.2
387.12604	4.0
405.13422	19.0
419.15045	48.2
433.16516	6.0
458.61581	3.3
461.16040	18.0
475.17758	32.3
555.19739	26.5
569.21979	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.1003
Annotation	Quercetin 4'-(6''-galloylglucoside)
Peak:m/z	Relative Intensity
53.24027	0.5
58.29634	0.5
59.01384	1.2
61.98842	2.6
65.00332	1.1
67.63904	0.5
71.01405	0.5
83.01411	0.8
87.00870	0.7
91.93763	0.6
107.01409	6.0
108.02151	0.9
109.02965	2.4
110.45332	0.5
118.79146	0.5
121.02956	2.7
123.00893	2.7
125.01535	0.6
125.02459	15.7
137.02446	0.9
144.28268	0.5
148.01669	0.8
151.00388	15.7
151.04063	0.7
163.00412	3.4
169.01439	16.6
170.01794	0.6
178.99855	5.4
190.99837	0.6
193.01430	0.5
199.03969	0.8
200.25740	0.6
201.05653	0.6
203.85153	0.5
211.02422	0.8
211.04140	0.8
223.06482	0.5
227.03491	2.2
243.03027	10.6
245.04576	0.9
254.02226	1.2
255.03024	30.2
271.02515	55.0
272.03128	1.3
283.02612	2.6
299.01987	2.5
300.02798	100.0
301.03564	44.5
313.05713	2.9
463.08911	25.7
615.10022	65.3
616.10571	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	615.1731
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44589	0.3
57.03458	4.1
57.03703	0.4
59.01389	2.8
61.87160	0.3
67.33347	0.4
69.03467	0.4
69.54575	0.3
80.38152	0.3
81.03455	3.1
83.01387	4.4
85.02942	0.7
87.00873	0.6
89.02457	0.4
93.03472	2.7
95.01401	0.7
95.05033	4.8
97.02952	8.2
99.04515	0.6
101.02475	0.5
105.03506	0.4
107.05031	0.4
107.21829	0.4
108.02188	1.5
109.02961	33.7
112.98839	0.5
117.03497	0.5
119.05029	35.4
121.02954	4.3
122.03768	1.0
123.04520	22.9
125.02449	22.8
133.06693	0.5
134.03754	8.4
135.04558	4.3
137.02458	15.3
138.03224	1.6
139.04025	6.4
143.05161	0.4
145.02951	1.5
146.03748	2.3
147.04483	0.5
149.02455	6.1
149.06099	1.5
150.03238	2.0
151.04018	12.2
159.04517	4.3
160.05313	3.2
161.02486	0.8
161.06107	9.0
162.03259	2.3
163.02542	1.9
163.04012	26.1
164.01176	5.7
165.01939	5.5
166.02661	0.5
167.03514	2.1
173.06012	0.4
175.04008	3.0
175.07654	2.8
179.03513	7.7
185.06148	0.6
187.04021	7.5
188.04810	4.5
193.05069	8.7
199.07722	0.9
201.05545	1.6
202.06416	2.9
203.07181	16.9
203.09047	0.6
205.05099	10.7
212.04828	0.5
217.04950	0.4
217.08839	0.8
221.08270	5.9
224.92426	0.4
227.07233	2.6
227.41049	0.4
229.05063	0.5
230.05809	0.8
245.05647	0.7
245.08211	21.4
247.06172	0.8
271.06180	0.9
289.07227	100.0
290.07568	1.7
325.05505	2.7
325.09424	2.1
325.13953	0.4
615.14252	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5421
Annotation	Unknow
Peak:m/z	Relative Intensity
71.26754	0.3
92.99261	0.3
95.97214	0.3
107.37712	0.3
116.92866	0.8
126.77714	0.3
131.13982	0.3
152.13077	0.3
235.29906	0.3
255.23352	100.0
256.23618	0.6
273.63821	0.4
357.01312	0.3
372.38315	0.4
618.82947	0.4
644.06586	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.5416
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03579	0.9
60.20028	1.0
76.29736	0.8
85.26463	0.9
92.10807	2.8
152.17671	1.0
166.35959	1.0
195.74866	0.9
209.62518	1.1
271.87585	1.2
283.26474	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	615.1
Annotation	Myricetin 3-(4''-galloylrhamnoside)
Peak:m/z	Relative Intensity
54.85587	0.4
57.90367	0.5
59.01389	1.0
63.02412	3.0
65.00333	5.8
75.24839	0.5
75.82927	0.4
83.01399	4.9
107.01400	14.6
109.02968	10.5
113.02430	0.6
117.03481	0.6
119.01419	0.7
125.02454	6.4
135.00882	0.7
135.04533	2.8
137.02457	30.3
139.68530	0.6
143.05070	0.6
145.02934	1.2
149.02496	0.7
151.00386	49.7
155.03537	0.6
159.04501	0.5
163.00398	4.0
164.01248	1.0
165.01918	2.5
169.01459	6.8
175.04010	0.8
178.99872	32.2
190.99905	0.7
192.00659	0.9
193.01503	0.8
199.04070	1.9
203.03510	0.8
215.03520	1.1
227.03577	2.5
243.02998	4.1
261.04150	3.6
271.02551	7.3
287.01926	0.9
287.05627	0.9
289.03522	0.9
299.01953	2.4
307.51456	0.6
316.02191	4.6
317.03091	100.0
318.03552	0.7
347.30130	0.5
443.89767	0.5
449.10757	0.8
463.09024	2.1
615.10107	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	613.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	33.1
68.42175	0.3
83.42202	0.3
93.03461	0.6
94.90658	0.4
106.04250	14.4
108.02199	4.0
116.92839	0.4
121.02959	5.7
122.03786	0.5
123.04493	0.3
126.22047	0.3
136.05272	0.7
138.03256	1.5
146.03825	0.5
149.02460	8.3
164.04808	12.3
168.04286	1.9
179.07167	5.1
237.05649	0.7
252.05609	0.4
252.07994	5.0
267.10315	100.0
268.10620	0.6
285.11356	0.6
309.24490	0.4
333.58554	0.3
356.47876	0.3
409.03183	0.4
497.15778	0.4
553.22443	3.8
590.13361	0.4
614.98364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39500	0.2
50.96301	0.3
55.23741	0.2
59.01385	37.3
65.60167	0.3
74.95153	0.3
81.03462	0.3
82.99529	0.3
85.06592	11.7
89.02467	0.3
97.02888	0.3
101.42014	0.3
103.59633	0.3
104.96455	0.3
107.01423	0.5
109.02973	0.4
110.86837	0.3
113.06097	11.1
119.03481	0.3
123.04578	0.4
125.02432	1.2
131.07141	100.0
135.04538	3.5
136.04875	0.5
147.02986	0.4
151.00386	3.5
152.00758	1.6
153.00861	0.5
162.14575	0.3
167.03523	1.8
173.08200	30.7
177.05600	0.3
209.04591	1.4
287.05716	1.3
324.36380	0.3
358.35373	0.3
373.09488	2.0
403.10632	1.5
404.51328	0.3
405.81320	0.3
451.11432	1.6
641.63617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03476	1.2
58.00617	0.9
58.99770	0.5
59.01393	60.3
61.67926	0.6
71.01390	26.0
71.01774	1.0
72.99310	2.6
73.02959	0.9
76.58894	0.6
83.01398	3.8
85.02950	6.1
87.00839	0.6
89.02446	37.2
92.10176	0.6
95.01425	2.2
97.02936	0.7
97.17548	0.5
99.08177	0.7
101.02450	20.4
109.02975	2.6
109.38371	0.5
113.02454	13.4
117.82262	0.5
119.03502	16.6
119.04312	1.0
119.04987	0.6
123.04543	1.0
125.02465	2.8
131.03525	0.8
137.02437	2.8
143.03511	0.6
149.02484	0.7
149.04541	0.6
151.04059	0.9
160.51903	0.5
161.08217	0.6
163.04073	0.7
179.05672	0.8
181.09633	0.6
245.08057	0.6
287.05585	1.3
289.07172	7.2
323.13513	100.0
324.13779	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4095
Annotation	Unknow
Peak:m/z	Relative Intensity
62.99379	74.8
70.81298	79.7
71.59458	79.4
192.97952	100.0
298.90527	94.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.4
58.00618	2.0
59.01388	91.4
59.30306	0.8
68.99571	7.4
71.01389	56.2
71.01776	2.0
72.99330	1.7
73.02955	1.7
81.03449	1.4
81.07684	1.1
83.01397	4.0
83.34980	1.0
85.02959	12.1
87.00893	4.4
89.02449	56.3
95.01408	5.0
96.96019	1.4
101.02441	21.0
102.52207	1.1
112.98567	8.4
113.02467	19.7
114.39118	1.2
119.03509	19.0
119.05025	1.5
121.02962	31.3
123.04542	4.7
125.02452	5.3
131.03496	1.2
133.02927	2.5
135.04518	6.3
137.02464	6.6
143.03554	1.4
149.02483	7.2
149.04588	1.3
150.03242	53.8
151.03949	1.3
158.48860	1.1
161.04568	4.3
164.04753	4.0
165.05598	100.0
167.03484	4.6
179.03464	1.3
179.04160	1.0
179.05638	13.6
186.05309	1.0
189.07184	1.3
195.06543	1.1
209.04617	2.3
210.04874	1.8
211.05180	1.1
240.05931	1.4
271.09796	73.1
308.96213	1.0
406.74478	1.1
433.15091	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06776	0.2
57.03451	0.3
59.01395	1.4
60.64685	0.2
63.02422	0.5
64.35238	0.2
65.00334	7.2
71.01401	1.0
73.02958	0.2
73.14873	0.2
82.58667	0.2
83.01409	4.0
85.02941	0.2
89.02462	0.2
101.02491	0.4
102.60657	0.2
107.01407	17.0
107.05078	0.3
109.02951	1.9
121.02978	0.4
124.01715	0.2
125.02457	4.1
131.01390	0.9
131.07158	0.3
134.03766	1.4
135.04539	80.4
136.04837	0.3
137.02481	0.4
145.01439	0.3
149.02382	0.2
151.00389	100.0
152.00899	1.0
159.04527	0.3
161.02463	1.7
164.01167	0.8
165.01974	1.0
166.02740	0.4
169.01416	2.3
174.03206	0.2
175.00372	3.5
177.01918	0.9
178.99860	0.5
181.65579	0.2
193.01515	1.6
196.00150	0.4
201.01938	0.2
201.05580	0.3
205.01453	0.4
205.56340	0.2
215.03539	0.3
227.07217	0.3
248.28592	0.2
269.04544	0.9
286.05038	0.2
287.05664	47.6
288.05948	0.4
297.09775	0.4
301.03900	0.3
329.06732	0.3
374.13916	0.3
389.16205	0.9
449.10980	37.8
450.11261	0.5
543.80206	0.2
551.21057	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	611.1627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.51680	0.5
57.03461	3.2
58.45551	0.8
59.01125	0.6
59.01378	5.0
61.81853	0.6
63.02420	1.4
65.00332	10.3
68.65915	0.8
71.01381	1.6
71.82600	0.6
81.03477	1.0
83.01389	8.1
85.02957	0.8
89.02456	1.1
93.03458	0.9
107.01395	26.2
108.02198	0.9
109.02984	3.1
113.02492	0.9
121.03009	1.0
121.61305	0.7
123.04532	5.1
124.01678	3.5
125.02445	57.3
131.01363	1.0
133.02940	4.5
135.04521	4.5
137.02428	3.2
139.04012	1.5
149.02467	7.9
150.03258	9.9
151.00385	100.0
151.03996	12.4
152.01154	9.0
153.01949	24.7
155.05066	0.9
159.04401	0.9
161.02443	1.1
161.06000	0.8
163.00261	0.8
165.01913	1.8
167.03523	0.9
168.44173	0.7
169.01518	5.5
174.03273	1.1
175.00391	9.7
175.03998	7.3
176.01134	0.9
177.01950	9.8
177.05350	0.7
178.99872	80.8
181.01428	15.7
189.05586	1.6
191.03496	1.1
193.01396	1.4
195.03014	0.9
198.03210	1.0
199.04015	9.9
201.01915	1.4
210.18074	0.9
211.04091	1.0
213.05586	1.5
217.05083	3.3
227.03590	1.5
227.07167	3.0
235.02507	0.7
239.03613	0.8
240.04333	1.1
241.05139	6.9
256.03815	3.2
257.04654	3.1
259.06314	2.6
275.05618	13.9
284.03253	10.2
285.04086	82.2
297.09625	2.4
299.05701	1.7
303.05151	51.9
309.04224	1.2
313.05731	3.1
327.05124	1.0
341.05139	8.0
343.06769	1.3
447.09354	12.9
449.11005	61.0
465.10538	8.1
551.26453	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82517	12.3
54.39088	13.5
54.55468	11.4
61.98835	37.4
67.51566	14.0
74.85532	16.4
90.90353	15.4
116.92892	100.0
184.73657	16.1
187.12822	16.3
237.98842	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	611.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25829	1.1
54.82779	1.4
57.03453	1.4
59.01386	50.0
60.41404	1.2
71.01376	14.5
72.99328	6.3
83.01432	1.9
85.02979	6.7
87.00887	16.0
89.02455	14.2
92.10154	2.9
95.01426	2.0
95.32414	1.5
101.02428	9.7
103.00339	1.8
106.81187	1.3
108.02162	2.0
109.02975	2.0
112.98826	11.8
113.02464	6.5
118.20882	1.4
119.03497	2.6
121.02965	3.0
125.02433	7.2
133.06604	1.6
135.04538	6.6
136.53331	1.2
137.02402	2.2
145.02992	1.5
149.00952	10.8
151.00398	8.4
151.04077	2.5
152.01216	1.7
152.18791	1.6
153.01952	1.8
153.14999	1.4
159.04570	1.8
165.01929	1.5
167.04778	1.5
171.04553	2.1
172.05287	6.9
173.06079	9.3
177.68356	1.5
181.06598	2.5
182.03636	1.8
183.04518	36.6
183.08218	2.3
184.05345	2.6
185.06117	6.1
198.03207	2.5
199.02405	2.2
199.04068	22.2
199.07663	6.0
200.04787	23.0
201.05612	49.2
209.06104	7.3
211.04037	66.4
214.02827	2.2
217.05103	21.6
219.04539	2.6
225.05812	1.8
226.06419	1.9
227.03665	14.8
227.07172	51.0
228.04330	2.5
229.05074	19.2
236.04964	3.1
237.05594	27.8
243.06694	1.8
245.04671	5.8
246.67886	1.5
254.11784	1.5
255.03133	1.4
255.04080	1.7
255.06703	23.0
271.06213	17.7
273.04099	100.0
287.05804	3.3
289.07047	1.5
299.05664	44.1
304.60291	1.5
315.05161	5.2
317.03064	36.1
341.10519	2.6
371.11407	2.3
387.17038	1.8
388.16699	1.4
397.11398	10.5
431.02609	2.1
449.03607	2.8
449.10809	1.9
479.12177	99.6
611.15417	1.8
625.97412	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	8.5
60.22307	0.6
71.01399	0.9
71.80282	0.6
72.80167	0.5
72.99334	3.0
74.14190	0.6
85.02946	1.0
87.00882	10.9
89.02477	1.0
91.07925	0.8
94.72948	0.6
96.96029	1.3
101.02483	1.0
103.00361	5.0
108.02187	15.6
109.02959	6.3
111.16769	0.6
112.98814	6.4
113.02435	0.8
119.05029	71.4
123.32342	0.6
125.02492	0.8
130.99829	1.1
133.02917	1.4
135.04521	4.5
138.08167	0.6
144.94876	0.6
146.89183	0.7
148.68175	0.6
149.00925	28.9
151.83989	0.7
152.01155	9.2
153.01976	4.5
163.04019	100.0
177.01910	0.7
179.03453	3.0
181.08817	0.6
295.04614	19.9
309.11935	3.6
315.07166	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	611.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09166	0.4
57.03465	4.1
59.01396	2.8
62.12012	0.4
63.02407	3.3
65.00329	11.1
68.78838	0.5
71.01392	0.7
75.01140	0.5
75.24104	0.4
76.94490	0.5
81.03474	0.5
83.01393	9.6
85.02982	0.7
85.32854	0.5
88.90540	0.4
89.02469	0.6
95.01431	1.1
96.96043	2.3
97.02967	0.5
101.02473	0.5
107.01409	21.9
109.02972	5.2
111.00869	0.8
119.05038	2.1
121.02992	1.1
123.00915	0.6
123.04528	7.4
124.01663	4.2
125.02457	55.9
126.02856	0.6
127.15176	0.4
131.01390	2.0
133.02963	4.4
135.04544	4.2
136.01573	0.5
137.02451	3.9
139.00395	0.6
139.04034	2.1
147.04529	1.0
149.02460	10.5
150.03242	8.0
151.00392	100.0
151.03996	11.8
152.01183	10.2
153.01953	25.7
155.12119	0.5
159.04489	0.5
161.02473	0.8
163.00357	0.6
163.04068	2.2
165.01901	3.1
166.02734	0.6
167.03528	2.0
169.01450	8.0
173.06052	0.5
174.03218	0.6
175.00415	10.0
175.04034	7.7
176.01082	0.9
177.01952	10.2
177.05449	0.6
178.99886	74.3
179.03415	2.0
180.00328	0.5
181.01445	13.1
185.06126	0.6
187.04002	0.7
188.04703	0.7
189.05646	2.0
191.03490	2.6
193.01480	2.5
195.03015	2.7
198.03172	0.6
199.04037	8.0
200.04742	0.9
201.01959	0.8
201.05492	0.5
205.01462	2.3
207.03085	0.5
211.04047	0.7
213.05635	2.3
215.03535	0.6
217.05090	4.7
219.03224	0.7
227.03517	1.9
227.07152	0.9
228.04349	0.6
229.05089	0.6
241.05095	5.7
243.02989	0.6
255.03014	0.5
256.03836	2.2
257.04681	2.8
259.06161	2.8
267.02957	0.8
275.05692	12.4
284.03275	8.4
285.04099	80.5
287.05670	0.6
289.07382	1.9
297.09613	0.9
298.04941	0.7
299.05673	3.4
302.04498	0.9
303.05164	50.0
309.03995	0.8
313.05658	3.0
323.07953	0.9
327.05173	2.9
341.05157	7.5
343.06686	0.7
374.05405	0.6
431.09760	0.7
437.11365	0.6
447.09427	10.2
449.10968	52.6
450.11063	0.8
465.10336	6.5
491.12033	0.6
569.52301	0.5
573.48108	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	2.5
57.03460	2.0
57.35003	0.5
57.66911	0.4
58.00602	1.1
59.01384	45.5
61.98833	1.0
64.35409	0.5
71.01381	24.5
72.99296	1.1
73.02951	6.0
73.42889	0.5
83.01391	3.0
85.02955	10.2
87.00888	2.8
87.04517	1.3
87.84242	0.4
89.02437	19.8
91.96718	0.4
95.01395	2.4
97.02922	0.6
99.00886	0.9
101.02438	17.0
113.02456	10.6
113.09734	0.7
119.03485	7.2
125.02442	0.9
131.03531	0.6
149.00974	0.6
149.55928	0.6
158.00172	0.5
161.04597	1.0
169.12283	0.7
179.05565	2.1
188.92676	0.6
203.39314	0.5
209.11760	0.6
211.13608	0.5
235.85735	0.5
241.08792	1.0
282.32840	0.6
369.26636	1.9
387.27570	24.9
432.11258	0.5
549.32916	100.0
550.33221	0.8
598.85443	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2773
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22132	0.7
51.21368	0.7
53.06786	0.9
56.87450	0.6
57.03463	1.3
58.00584	1.2
59.01387	100.0
59.86897	0.7
71.01382	48.8
72.99319	3.4
73.02950	1.7
83.01407	3.0
85.02953	10.1
87.00883	1.7
89.02443	57.3
92.10764	1.1
92.83043	0.7
95.01385	5.3
97.02988	0.9
101.02445	23.7
113.02452	17.2
115.00348	0.7
119.03490	19.7
125.02397	1.8
131.03468	1.4
133.01451	4.3
135.04510	1.2
137.09717	3.0
143.03491	2.9
149.04565	1.6
161.04572	7.2
167.03569	1.8
179.05605	21.3
296.91501	0.8
370.64474	1.0
549.25574	22.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.35
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65947	1.5
54.83617	1.8
59.01389	52.7
67.21562	1.7
71.01388	30.3
73.02951	12.0
82.72563	1.6
83.01407	2.5
85.02971	16.2
87.00882	2.8
89.02434	21.0
95.01379	2.3
101.02428	16.9
112.41389	2.1
113.01792	1.7
113.02428	15.9
119.03462	4.1
125.02439	4.2
137.95589	2.0
141.09259	1.9
151.03931	2.3
156.95035	1.7
169.01350	2.0
173.23557	1.7
189.29308	2.0
193.46471	1.9
206.09662	1.8
211.13432	14.5
223.84027	1.8
387.27762	19.5
415.14395	3.0
549.32941	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	609.1836
Annotation	Mesuein
Peak:m/z	Relative Intensity
59.01384	12.5
63.02404	2.1
65.00340	17.8
71.01404	3.5
83.01409	12.2
85.02960	3.2
89.02446	3.3
97.56812	2.1
101.02444	1.7
107.01396	29.0
108.02187	9.4
113.02459	1.9
123.04574	2.8
125.02459	12.3
134.03748	32.9
135.68993	1.8
136.01685	2.7
137.86870	1.8
149.06087	21.4
151.00372	100.0
164.01154	7.6
165.01958	4.0
169.01450	6.8
175.04074	2.6
177.01941	4.1
178.99953	1.6
187.04135	1.9
196.00107	6.4
199.03990	2.5
227.05675	2.1
233.12433	1.8
257.08307	2.8
277.13034	1.8
301.07202	68.2
387.24210	1.9
459.11346	7.1
463.06934	2.0
609.18372	64.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.2204
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03193	2.0
59.01376	17.2
63.00754	1.9
65.08312	2.0
71.01395	11.1
85.02939	4.2
87.00892	4.2
89.02428	4.1
92.10922	2.5
101.02459	10.1
108.02161	14.6
109.02963	2.4
113.02450	2.7
124.01630	3.4
125.02440	10.4
134.03743	42.9
136.01659	32.2
138.03246	4.0
139.04012	23.8
149.02441	5.7
149.06088	29.6
150.03226	27.6
151.04019	100.0
153.05592	22.3
165.04280	4.8
165.05573	71.6
211.13400	3.6
271.02420	2.8
279.12161	2.5
289.07486	2.7
301.10999	17.6
303.44049	2.2
445.69427	2.4
447.14987	4.3
459.15198	4.5
549.32910	5.5
609.22162	51.7
624.34283	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	609.147
Annotation	Rutine
Peak:m/z	Relative Intensity
56.37232	0.6
63.02417	0.6
65.00341	1.4
68.09827	0.7
68.12311	0.6
80.69824	0.7
83.01400	1.0
89.85333	0.6
91.00807	0.6
103.22307	0.6
103.63730	0.6
107.01404	4.2
108.02187	1.6
109.02972	2.9
121.02981	0.8
125.02432	4.2
135.00819	0.8
135.26251	0.7
138.92790	0.7
148.01648	1.1
150.54517	0.6
151.00383	14.3
158.63258	0.7
163.00388	1.5
164.01025	0.8
165.01888	0.8
169.01437	4.8
178.99818	7.0
187.03928	0.7
207.74751	0.6
211.04141	1.1
226.02740	1.4
227.03598	3.8
243.03008	13.5
244.03552	0.9
245.04582	1.3
254.02298	1.6
255.03026	33.0
271.02530	67.4
272.03229	2.9
273.04160	0.8
283.02515	0.9
299.02026	1.4
300.02795	100.0
301.03580	29.6
352.24020	0.7
399.13693	0.8
609.14752	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1474
Annotation	Rutine
Peak:m/z	Relative Intensity
59.01390	8.3
63.02410	0.7
65.00332	0.9
71.01067	0.4
71.01376	3.9
83.01424	1.0
85.02995	0.6
88.04099	0.5
89.02451	2.7
93.03481	0.8
96.96000	0.9
99.04538	0.4
101.02419	1.7
107.01381	3.4
109.02967	2.4
113.04187	0.4
121.02962	1.8
125.02440	0.8
133.02919	0.8
135.00954	0.6
135.04538	0.7
137.02405	0.7
147.02943	0.5
149.00919	0.6
149.02434	0.4
151.00378	15.5
159.04485	0.6
161.02414	0.4
161.08162	4.5
161.60693	0.4
163.00427	0.7
164.01164	0.6
169.01448	0.7
171.04526	1.7
175.00319	0.7
175.04033	1.9
178.99892	1.9
179.05696	1.7
183.04514	2.4
185.06171	0.6
187.04060	0.8
199.04048	5.0
201.01842	0.8
203.03452	0.7
211.04042	2.0
213.05563	0.7
215.03546	2.0
226.02776	0.9
227.03557	7.0
229.05080	0.8
243.03058	6.1
245.04463	0.6
254.02150	0.8
255.03020	18.2
256.03885	0.6
256.65219	0.5
271.02505	74.2
272.02942	0.8
283.02502	28.0
284.03220	2.5
285.04092	17.1
297.04037	0.9
299.01999	100.0
300.02747	16.2
301.03564	80.8
302.03894	0.6
343.04486	0.7
446.08676	2.5
447.09409	18.0
462.08118	18.6
463.08951	16.7
489.10498	0.6
609.14722	65.1
610.15210	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.1835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56567	0.5
57.03457	1.0
59.01390	2.5
62.10907	0.6
63.02416	0.6
65.00326	15.0
65.25174	0.5
73.32809	0.5
83.01392	9.1
95.01393	1.2
96.35348	0.6
107.01403	23.0
110.00081	0.7
115.78280	0.8
121.02908	0.9
123.00883	3.5
124.01684	6.4
124.02443	0.9
125.02452	18.5
131.07141	1.6
137.02429	1.0
139.04010	1.4
143.05008	1.1
145.02972	0.6
147.00911	0.7
149.02429	7.2
151.00389	100.0
151.03992	13.7
152.01172	33.7
153.01898	1.1
159.04555	1.0
163.04008	0.8
164.01164	0.8
165.01907	1.5
166.02724	31.8
167.03513	10.4
167.04897	1.0
169.01442	4.4
175.00398	7.1
175.03955	1.0
177.01950	0.8
178.99872	46.6
185.06049	0.7
187.03967	4.3
189.02031	0.8
190.02774	0.7
190.69354	0.6
191.03564	5.3
192.00647	6.0
193.01430	17.4
203.03477	1.0
211.04088	1.4
214.02768	2.5
215.03523	15.7
227.03441	0.9
227.85110	0.6
229.05193	2.1
231.02966	3.1
233.04648	1.1
255.02982	4.4
257.04401	4.5
273.04053	3.0
283.02487	4.4
300.02716	0.7
301.03607	48.9
313.09265	7.0
318.03867	5.8
319.04633	6.1
339.07291	7.9
351.02606	0.8
447.09256	3.9
465.10413	35.9
521.59064	0.8
622.16168	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2938
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01409	0.8
61.98834	100.0
68.36427	0.6
75.74648	0.7
81.79458	0.6
85.41963	0.6
118.57417	0.6
119.54613	0.7
125.02428	0.8
125.12579	0.6
137.02441	1.0
165.01982	0.8
179.03514	0.8
211.13484	0.7
252.87799	0.7
433.84366	0.8
551.07904	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.2936
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51017	0.5
53.36585	0.5
59.01392	0.6
59.69526	0.5
61.98835	100.0
64.22050	0.5
78.95910	0.9
82.69343	0.6
91.20026	0.5
92.10788	1.4
95.75889	0.5
150.03188	0.8
152.99568	0.7
185.13412	0.6
219.05127	0.5
222.99677	0.7
269.72168	0.6
377.58847	0.7
489.55484	0.6
609.26563	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.0896
Annotation	Epigallocatechin 3,4',-di-O-gallate
Peak:m/z	Relative Intensity
54.83012	0.5
57.03458	2.6
57.38275	0.5
66.94598	0.6
67.53503	0.6
69.03471	0.6
81.03471	1.3
97.02926	1.2
97.72836	0.6
99.52525	0.7
105.03504	0.9
123.00903	1.2
125.02446	72.0
129.49953	0.6
137.02446	2.4
139.03978	0.8
151.00392	2.9
161.02454	4.2
165.01950	2.5
167.03456	2.5
169.01436	100.0
170.01703	1.3
178.99982	1.1
179.03511	1.2
193.01407	3.1
243.02972	2.9
255.02997	4.5
269.04575	1.2
271.02582	10.9
287.05618	2.5
300.02795	12.7
301.03540	3.9
305.06781	5.9
321.02588	3.4
331.04633	0.8
339.44595	0.6
346.74112	0.7
410.52762	0.7
457.07806	16.9
609.15405	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	606.3141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88152	0.4
59.01381	1.8
60.71657	0.4
61.98834	100.0
72.99308	0.6
87.00893	0.8
92.10110	1.2
149.00929	0.8
166.68166	0.4
209.11856	0.5
283.13229	0.5
291.19672	0.5
310.20996	0.8
327.36435	0.4
382.46646	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.3341
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.4
56.52750	1.0
57.03458	2.1
58.86946	0.9
59.01383	44.0
61.98840	4.5
64.95509	0.9
71.01377	24.8
72.72063	0.9
72.99327	1.0
73.02594	1.1
73.02933	7.1
83.01386	2.2
85.02948	10.1
87.00894	1.9
88.98812	1.9
89.02448	18.5
95.01406	2.3
96.96028	3.9
98.95605	1.2
99.00906	1.4
101.02443	16.8
102.78385	1.0
113.02432	7.4
119.03533	6.5
123.04543	4.4
124.01697	1.0
125.02425	6.9
135.91225	1.0
142.12288	0.9
153.09309	1.1
167.03487	9.4
167.10777	1.4
179.05576	1.1
187.13274	1.7
223.09779	5.6
223.74849	1.1
283.76245	1.1
385.12817	7.2
385.25970	24.8
419.39871	1.2
472.87173	1.3
475.15219	1.2
547.31348	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	607.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	2.1
55.35162	1.3
57.03470	1.2
59.01387	50.3
61.98853	1.3
65.83232	1.3
71.01395	25.7
73.02961	7.7
83.01402	3.1
85.02973	6.8
87.00894	2.7
88.98817	2.6
89.02441	16.8
95.01420	2.6
99.00924	1.8
101.02465	17.7
110.64407	1.7
113.02475	8.0
115.22355	1.5
119.03524	6.6
123.04554	3.4
125.02442	9.6
152.01224	1.8
167.03508	11.2
167.10832	1.7
192.42497	1.5
223.09811	3.2
252.32645	1.7
257.68994	1.7
309.94827	1.5
367.24826	2.3
385.12955	6.9
385.25961	24.4
396.94205	1.5
454.47803	1.5
518.82898	2.0
547.31323	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	605.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86846	5.4
53.28268	5.8
55.85132	5.2
59.01400	15.5
63.78437	5.1
64.34937	6.2
64.59914	5.5
70.36568	5.3
73.76402	6.4
74.09927	5.9
78.53517	7.3
93.03483	11.1
98.58442	7.1
119.05036	100.0
134.03763	48.8
149.06049	25.8
169.51271	7.1
228.98917	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	605.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66046	16.2
59.01395	36.0
59.20183	16.0
61.98839	40.5
63.77799	16.6
66.85814	18.7
76.57750	19.7
82.91997	20.2
92.10086	22.2
93.03486	100.0
104.23799	19.1
134.03790	24.9
149.06110	33.2
150.86778	20.5
225.87189	20.7
253.05019	41.2
419.15155	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	605.3193
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72971	1.5
59.01382	16.1
61.98840	36.0
64.82684	1.7
71.01380	4.4
72.99319	2.6
85.02989	2.7
87.00862	2.2
89.02439	7.3
101.02442	6.2
111.08167	2.8
127.11312	2.6
134.82906	1.7
149.00911	3.4
153.12874	4.1
165.55295	1.8
176.62717	1.6
179.14357	3.2
181.12331	3.4
197.11823	2.6
197.57167	2.0
247.20627	6.9
253.09294	10.7
273.18750	3.3
283.13452	2.7
291.19708	40.9
309.20795	100.0
387.60941	1.8
475.15768	1.8
510.11581	2.3
545.29755	22.5
569.14929	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	603.3406
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57489	0.3
57.48889	0.4
60.26613	0.4
83.93855	0.5
90.58057	0.4
92.10235	0.9
94.22340	0.4
110.65729	0.5
121.01517	0.4
124.87270	0.4
134.99423	2.7
136.48633	0.4
136.97331	0.9
141.07404	0.5
159.08476	3.7
161.06396	5.0
203.05728	1.0
217.07256	78.7
218.07336	2.0
225.98773	0.4
235.08318	0.5
239.78349	0.4
285.13550	37.0
301.16663	100.0
302.16907	1.0
359.15445	25.7
395.72452	0.5
427.21661	12.0
428.22025	0.5
443.24783	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	605.131
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	4.5
59.01398	8.0
81.03474	5.9
83.01411	5.6
87.00897	16.5
93.03487	15.3
97.02946	4.8
109.02980	29.9
111.04562	4.0
119.05039	42.9
121.02999	6.9
123.00926	3.8
123.04513	29.6
125.02444	100.0
128.24139	3.2
135.04556	5.1
137.02473	29.2
139.04056	5.1
143.05046	3.5
145.03001	13.9
149.02455	13.3
151.00401	3.7
151.04010	34.1
159.04556	12.4
161.06078	26.0
162.03125	3.9
163.03987	8.1
165.01941	13.2
167.04936	3.3
169.01463	40.0
175.03960	3.9
175.07709	4.3
179.03603	8.1
185.06078	7.7
187.04019	13.4
203.07150	44.7
205.05090	19.4
221.08250	4.3
231.03108	3.6
245.08209	24.2
257.08240	3.6
269.08566	4.7
271.06168	15.2
284.44739	3.6
289.07254	94.9
301.07300	4.5
303.05017	4.6
315.08820	16.2
323.62979	3.7
416.21756	4.1
435.10980	14.0
441.08179	14.3
453.11960	79.5
507.87756	3.8
605.13879	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	603.3037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91880	4.6
55.69462	5.8
57.08423	5.3
59.01385	96.7
61.32429	6.3
61.98837	14.5
71.01389	12.4
85.98877	6.9
89.02434	10.0
101.02465	8.7
109.35085	6.2
113.02562	6.6
131.80031	7.8
155.10849	8.8
165.12793	12.4
181.12352	13.5
209.11894	59.1
222.51344	7.9
227.12860	10.7
253.09293	35.7
263.20074	15.5
289.18219	14.5
307.19183	100.0
445.21030	14.1
452.57352	7.3
543.28046	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	603.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07010	5.7
57.03461	8.3
57.28606	5.3
59.01398	98.6
69.03481	7.7
71.01408	35.3
73.02967	34.1
75.11817	5.6
81.03492	7.6
83.01407	27.9
85.02970	11.1
87.00880	8.5
89.02467	29.5
92.66125	5.5
101.02456	29.5
103.04044	11.4
109.02976	32.5
113.02497	9.3
123.04529	48.1
125.02457	100.0
131.03572	8.1
133.03006	6.0
151.00391	8.2
151.04013	8.3
151.07707	12.7
155.76942	5.9
161.02432	9.8
163.06145	42.5
167.03488	65.5
169.01433	78.1
177.01929	64.0
182.69359	7.3
189.01961	26.2
193.01454	11.9
205.07259	24.6
217.01428	10.6
230.77599	6.9
255.02942	7.3
341.06656	45.4
406.02789	6.4
451.10373	11.2
483.33612	11.9
493.07840	9.8
525.34186	24.1
543.35370	8.2
603.11621	10.9
603.25043	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	603.3403
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09192	0.8
54.94609	0.7
59.01393	52.1
61.98839	7.5
71.01416	1.3
75.59118	0.7
80.02710	0.7
81.03447	1.1
83.05062	3.2
89.02489	0.8
95.11855	0.7
101.02489	0.9
105.91824	0.8
113.02536	0.9
123.04515	1.1
125.09720	0.8
134.03749	1.4
135.04587	0.9
163.11295	4.6
165.12950	2.8
171.10316	5.7
180.70944	0.9
181.12381	0.8
191.10861	1.1
197.64783	0.7
206.24568	0.7
207.10262	0.8
209.11861	100.0
212.60065	0.9
224.40707	0.7
227.12920	10.0
227.29063	0.8
245.19209	1.1
247.13451	1.1
253.09390	1.1
267.57138	0.7
289.18066	7.5
307.19278	5.1
400.55325	0.8
446.09750	1.2
475.27237	0.9
493.27985	1.0
540.14240	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	603.3038
Annotation	Unknow
Peak:m/z	Relative Intensity
56.12503	1.4
57.93926	1.6
59.01387	56.8
61.98843	11.4
64.35179	1.5
71.01403	7.0
75.00887	1.8
83.01375	2.1
83.05016	3.7
85.02976	2.2
89.02454	3.5
93.03368	2.5
101.02420	6.5
108.02129	2.2
113.02438	2.7
123.04547	2.1
125.02414	1.7
125.09727	3.5
134.03729	7.7
135.04553	7.2
147.04456	2.2
149.06053	7.3
151.04021	2.9
163.11302	7.8
165.12801	2.3
171.10291	2.3
177.05614	4.2
181.12436	2.3
185.11821	6.3
191.14456	2.2
192.56532	1.6
209.11870	100.0
225.11476	2.3
227.12955	4.0
245.19049	10.3
253.09428	14.8
257.08093	2.5
263.20370	2.2
271.17303	1.9
289.18170	47.2
307.19177	40.7
353.80933	2.1
379.23248	1.9
567.13000	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	603.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	8.6
61.98833	3.6
71.06033	1.3
72.75614	1.3
75.00874	21.9
93.03448	1.9
106.04249	3.5
107.05055	12.9
108.02189	16.4
121.02956	23.1
122.03714	3.0
123.00896	3.4
123.04540	7.2
125.02435	1.8
130.47473	1.5
133.02940	6.4
134.03767	15.8
135.04529	47.3
138.03224	2.1
147.04530	6.3
149.02406	3.1
149.06107	7.7
150.03207	11.5
151.04016	1.8
161.02422	3.3
163.04109	1.8
165.05597	13.1
171.10228	1.6
177.05594	24.1
197.06140	16.1
199.04077	2.1
207.06665	12.5
210.30997	1.6
212.04817	2.3
213.05553	5.5
225.05579	10.3
226.06390	8.2
233.15527	2.0
239.07187	2.0
241.05107	75.5
241.08713	3.3
253.05151	2.1
255.06674	6.4
256.07471	100.0
265.05234	2.2
271.09824	86.2
283.09830	7.1
313.10712	2.9
337.75659	1.5
346.04001	1.5
436.55017	1.7
543.20349	2.4
603.30164	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	603.1732
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83730	1.1
57.03452	2.4
57.15325	1.0
58.00601	2.6
59.01387	100.0
59.84833	1.0
62.36896	1.0
71.01383	54.2
72.99331	2.0
73.02953	2.0
83.01408	5.1
85.02950	12.8
85.20800	1.2
87.00903	5.8
89.02444	61.6
95.01408	5.9
96.70889	1.2
97.02953	1.4
99.73408	1.1
101.02454	26.0
107.05039	21.4
109.02975	5.1
113.02460	21.5
118.29973	1.1
119.03506	23.2
119.05038	4.7
121.02976	1.8
123.04534	2.5
125.02406	2.4
135.04526	13.2
136.04857	4.7
137.02446	2.4
143.03497	2.0
149.00935	9.8
149.02356	1.5
149.04547	1.2
151.04004	4.8
151.74367	1.2
161.04544	5.5
163.04016	5.4
165.01967	1.6
179.03520	12.0
179.05603	4.5
180.03880	7.4
181.04036	2.2
203.07150	2.4
245.08113	1.1
275.65738	1.2
289.07254	12.7
313.09354	84.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41298	4.5
57.58247	4.3
59.01392	13.2
60.93223	4.3
61.98854	29.1
66.60239	4.7
71.01380	8.1
74.81533	4.9
75.00874	74.5
87.00901	6.1
88.98793	7.4
107.05038	10.1
108.02161	21.6
110.84602	6.1
121.02975	31.6
123.00870	11.5
123.04439	6.0
125.02486	7.0
134.03749	36.0
135.04561	42.7
138.03198	8.7
149.06189	6.1
150.03256	12.9
165.05566	10.9
177.05589	31.1
197.06125	13.6
202.59793	5.9
207.06750	9.2
233.15408	46.1
234.15839	33.0
235.16185	7.8
241.05078	88.5
256.07458	100.0
271.09827	84.2
313.10803	7.1
331.91745	5.7
450.62494	6.0
543.19934	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	603.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56372	0.9
57.03465	2.4
58.64132	1.0
59.01391	27.0
64.19230	1.2
67.31112	1.1
69.03459	1.2
71.01426	1.7
74.34991	1.1
76.04876	1.2
81.03461	2.2
83.01388	2.6
85.06599	7.3
85.58147	1.2
93.03454	2.3
95.04997	4.0
97.02952	8.4
107.01401	2.4
107.73471	0.9
109.02963	26.2
111.00872	2.2
112.78008	0.9
113.06113	11.8
121.02944	6.3
122.03768	1.3
123.00896	8.5
123.04510	20.3
124.01695	5.2
125.02453	100.0
131.07143	53.5
135.04506	5.1
137.02454	25.7
139.00272	1.2
139.04019	4.7
139.42682	1.3
140.01160	1.2
145.02946	5.8
146.03754	1.5
148.36061	1.2
149.02460	9.3
150.03122	1.8
151.00412	2.8
151.04036	32.4
159.04507	4.4
159.28792	1.1
161.02422	2.5
161.06110	11.2
162.03143	1.7
163.04085	1.9
164.01160	4.8
165.01949	9.4
167.03526	2.3
168.00639	5.8
169.01437	89.9
173.08217	24.1
175.03969	3.8
175.07584	1.8
177.01973	1.2
179.03519	6.4
185.06084	2.4
187.04054	8.0
188.04768	6.5
193.01419	7.1
195.39847	1.1
201.05545	2.4
202.06305	2.1
203.07210	21.5
205.05141	8.5
221.08250	4.5
227.07184	5.2
231.02994	1.7
245.08224	28.5
247.06184	4.6
253.05067	1.6
259.06143	4.7
269.04535	1.4
271.06146	10.7
289.07214	55.7
303.05106	2.5
331.06873	18.1
387.90811	1.3
441.08356	24.5
451.12494	22.0
452.30783	1.3
465.10394	5.7
603.13495	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.1317
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	1.5
61.98835	100.0
92.10801	5.7
94.69624	1.2
104.09926	1.4
125.02473	1.9
126.94438	1.2
129.26920	1.1
135.41011	1.1
151.00407	1.6
402.07538	6.5
432.08502	5.0
539.13489	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	602.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04135	0.5
61.98834	100.0
75.73032	0.5
75.81304	0.5
84.21629	0.6
86.52884	0.5
92.10784	2.1
92.66153	0.7
93.92377	0.5
146.06839	0.6
171.10295	1.3
211.13420	0.8
247.77129	0.7
490.51190	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22116	0.9
51.91161	0.9
57.25850	0.9
60.58053	0.8
61.98837	100.0
64.51307	0.9
64.86688	1.1
87.71786	0.9
89.06030	0.9
95.94669	1.0
99.07810	0.9
108.01101	1.2
118.29643	1.1
123.81950	1.0
153.11452	1.2
157.32791	1.0
166.12431	1.4
170.38469	0.9
202.71054	1.0
205.94203	1.1
254.35663	1.0
265.15198	1.3
427.60675	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50713	0.9
56.74500	0.8
61.17876	0.9
61.98840	100.0
64.34707	1.2
66.62221	1.1
92.10114	2.2
113.84933	1.0
132.25354	1.0
177.29439	1.1
267.15411	1.1
614.76227	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.1161
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90632	1.1
57.03452	2.1
59.01390	7.6
69.03456	4.8
69.81874	1.1
71.01398	1.9
72.13554	1.3
72.58051	1.7
76.57919	1.6
81.53760	1.3
83.01418	1.7
89.04000	2.5
92.10107	2.9
95.01382	2.0
97.06499	1.3
107.01381	1.6
109.02953	34.9
117.03502	1.9
123.00862	2.0
123.04538	17.5
125.02448	68.3
133.02921	11.6
135.04472	1.9
137.02414	2.4
145.02975	16.7
147.04549	3.1
149.02480	1.8
150.03214	2.2
151.04039	11.6
159.04500	2.4
161.02420	9.4
166.99852	1.4
168.99966	1.6
169.01433	72.7
177.01935	100.0
187.04031	7.2
188.04762	1.7
189.01949	76.5
190.02751	15.3
191.03502	14.2
193.01396	7.1
201.01936	7.1
203.03479	7.5
209.37817	1.3
216.00655	8.6
217.01447	38.6
218.02171	1.8
219.02969	15.7
231.03091	13.7
232.95714	1.4
255.03099	2.9
281.04721	1.7
282.01804	1.9
285.43524	1.3
289.07227	1.8
297.03952	1.7
323.05698	41.2
341.06726	63.2
433.09598	10.2
451.10403	40.8
493.07996	7.0
498.99982	1.5
525.35138	1.7
543.35278	2.2
547.82629	1.4
603.11597	29.9
621.73273	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	601.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40780	0.8
54.83619	0.9
59.01147	0.9
59.01387	7.9
61.98842	1.7
64.75775	0.8
70.07156	0.8
78.29899	0.9
80.65559	0.9
106.04281	4.5
108.02183	1.7
121.02940	8.3
123.04553	1.9
133.02966	43.5
134.03767	4.6
138.89738	0.9
149.02484	1.6
164.04761	1.7
165.05600	4.7
223.01456	1.0
223.07637	1.1
238.06328	1.0
239.07179	8.6
240.07932	1.3
253.08742	6.7
254.09395	1.2
255.10313	100.0
345.07751	1.0
382.12369	1.1
541.22577	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	601.2877
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14368	0.7
58.20426	0.6
59.01383	16.1
59.72659	0.7
61.98845	3.3
69.87130	0.6
71.01388	6.4
72.99299	0.8
73.02971	3.2
83.01409	0.9
85.02972	3.6
87.00883	1.1
89.02448	3.0
92.10751	1.1
93.03439	0.7
101.02451	4.2
102.73510	0.8
103.04050	1.1
119.03474	1.0
119.05015	1.1
123.00877	3.1
124.01633	0.8
125.02448	6.9
134.03683	1.0
137.06091	0.8
143.03510	0.7
151.00421	0.9
163.06104	5.9
165.01950	1.1
181.05075	1.3
233.15492	100.0
234.16074	0.9
269.04578	1.1
275.23563	0.9
290.08923	0.8
305.17511	0.9
307.10413	2.9
328.07358	0.8
494.20032	0.9
541.18689	3.1
541.26563	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	602.1316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51340	0.2
56.44801	0.2
57.46825	0.2
61.98838	100.0
75.95461	0.2
104.86652	0.2
107.65215	0.2
134.03674	0.3
139.90704	0.3
184.52141	0.3
285.03442	0.3
286.04120	0.3
486.35666	0.3
541.28326	0.3
579.88373	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.3
62.91444	0.9
65.00331	8.2
66.76282	0.8
69.03454	1.4
71.01369	1.1
81.03476	1.7
83.01398	9.5
85.97116	1.0
93.29508	0.9
95.01393	1.7
97.02937	3.6
101.02427	0.9
107.01405	15.6
109.02962	2.2
113.02463	1.1
123.00901	13.0
123.04527	3.7
124.01658	33.4
125.02439	100.0
133.02972	1.1
135.04543	1.6
137.02431	4.1
139.03973	1.1
149.02403	2.1
149.99599	43.9
150.03201	9.6
151.00375	52.9
151.03998	9.7
152.01192	9.9
153.01981	1.3
153.94049	0.9
167.03535	1.9
168.00645	82.7
169.01424	13.9
175.03938	1.3
177.01938	5.1
178.99878	10.0
179.03622	1.0
199.03966	1.7
215.03470	1.7
217.05127	1.7
227.12900	1.9
238.30862	0.9
241.05171	1.2
285.04028	24.8
303.05121	9.8
313.05759	1.8
331.06970	1.9
445.18915	1.0
449.10873	24.2
455.06244	3.5
509.96820	1.0
539.21991	1.2
541.19617	1.7
553.60706	1.2
601.13397	3.5
601.21490	92.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68341	2.7
57.75310	2.7
59.01405	4.0
59.31570	2.6
61.20001	2.8
61.98836	5.7
65.88125	3.0
66.87178	2.9
69.82428	2.8
81.30340	3.5
86.55289	2.6
90.80260	3.1
92.66052	4.0
95.01406	5.3
100.16309	3.0
108.02213	5.8
120.79073	3.5
121.02949	3.8
123.00884	19.4
124.01649	48.7
125.02472	4.2
125.09684	23.5
134.03732	54.9
135.04518	5.0
136.01663	6.7
137.02428	34.8
139.00327	3.9
139.04039	23.9
149.06100	44.2
151.00374	38.8
151.04028	4.4
152.01141	44.5
153.01913	17.0
165.01915	60.7
166.02702	34.5
167.03506	100.0
179.03476	7.0
180.04288	4.5
181.05057	36.8
187.09746	16.4
211.13284	4.6
222.61966	3.4
261.13425	4.4
301.07245	19.8
302.08017	3.8
304.48053	3.1
316.09537	25.5
317.10300	74.1
582.35144	3.8
601.20734	29.5
601.32532	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	601.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83173	2.8
59.01389	12.0
60.87177	2.1
65.00338	2.5
66.57653	2.6
68.08421	2.2
71.58211	2.3
79.91190	2.0
85.02956	6.3
102.96428	2.5
105.94229	2.4
124.01685	2.8
125.02463	6.4
125.06094	2.7
133.47758	3.0
137.21556	2.8
151.00398	5.5
151.07771	2.4
155.07150	10.8
157.18385	2.6
178.99886	3.2
214.02747	4.3
214.05627	3.0
223.04715	4.9
227.03426	3.9
242.02332	3.8
243.03046	4.1
255.02798	3.1
259.02438	10.0
264.51794	2.6
270.01715	12.0
271.02515	64.2
283.13492	3.4
287.02020	39.7
315.01465	12.7
316.02277	100.0
325.03656	3.2
365.80847	2.4
374.85751	2.5
481.84854	2.9
583.14984	4.4
601.16058	52.8
601.35791	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	600.1941
Annotation	Unknow
Peak:m/z	Relative Intensity
51.46445	0.1
55.16430	0.2
59.01385	0.5
62.84377	0.2
65.03975	0.2
65.18587	0.2
67.06828	0.2
71.01393	1.3
73.02946	0.4
79.87823	0.2
85.02457	0.2
85.02966	1.2
93.03464	59.3
94.03788	1.6
101.02456	0.5
101.79252	0.2
107.29198	0.2
111.00877	1.0
113.02446	0.9
119.62831	0.2
125.02393	0.3
137.02452	100.0
138.02794	4.7
138.05643	0.3
161.04619	0.2
164.75558	0.2
299.07782	11.5
300.08151	1.3
353.87228	0.2
459.53793	0.2
459.74442	0.2
490.34512	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.121
Annotation	(2S)-5,7,3',4'-Tetrahydroxyflavanone 7-(6-galloylglucoside)
Peak:m/z	Relative Intensity
50.08305	1.6
51.65650	1.6
57.03452	4.6
59.01394	9.1
65.00307	1.9
71.01398	7.7
73.37279	2.0
74.97748	1.7
77.71416	1.8
83.01383	7.9
93.03445	2.0
107.01408	12.5
111.38263	1.8
113.02444	2.7
117.03470	2.7
121.03023	2.0
123.00878	4.3
124.01635	2.2
125.02445	100.0
135.74431	2.1
151.00366	18.6
152.01082	3.4
153.01987	3.9
160.01657	4.9
167.03450	2.3
168.00659	3.7
169.01431	77.4
173.06085	2.2
175.04021	9.7
177.01875	3.1
178.99849	11.5
197.06297	2.2
211.02505	10.0
225.05586	8.5
243.06656	2.8
244.95084	2.0
259.06183	24.8
269.04596	80.4
271.04617	13.0
287.05630	8.4
313.05716	23.6
313.14130	2.1
373.98486	2.0
386.08969	2.3
439.08765	3.4
450.24207	2.5
583.11047	9.2
601.12164	74.9
618.38440	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	599.4172
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83109	2.6
59.01385	100.0
80.79512	2.0
106.27395	2.1
107.03273	2.1
122.15896	2.1
209.11855	16.7
235.71637	2.2
246.73322	2.3
255.23344	26.0
497.30725	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	599.157
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87223	0.5
53.38126	0.5
59.01384	1.1
59.81088	0.5
61.98844	0.9
63.02411	0.5
65.00340	1.1
75.77874	0.5
75.95016	0.5
83.01390	0.7
93.03458	0.8
107.01414	3.4
110.12022	0.6
116.92873	3.7
121.03009	0.6
132.02159	0.7
133.02963	11.8
134.03755	2.7
149.02460	2.6
149.06123	1.1
151.00377	8.9
155.04982	0.8
175.04016	3.4
183.02852	0.6
183.04535	2.6
199.04033	2.9
201.01915	1.0
213.01984	0.6
217.05161	1.1
227.03592	1.1
241.05020	0.8
255.03027	100.0
256.03799	34.6
283.02533	83.0
284.03302	61.4
285.04086	87.9
507.57214	0.6
539.13672	13.7
539.21045	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	599.1055
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76846	0.2
51.93435	0.1
54.80793	0.2
59.01396	0.2
63.02399	3.6
65.00330	6.2
66.53209	0.2
69.26402	0.2
83.01392	5.0
84.01736	0.2
91.01907	0.3
93.03466	2.4
94.20558	0.2
95.01369	0.3
107.01399	15.8
108.02228	0.3
108.59812	0.2
109.02958	6.4
115.05430	0.2
116.92871	3.2
119.01392	0.7
121.02955	13.4
123.00865	0.4
125.02438	0.9
135.00888	1.1
135.04483	0.2
137.02423	0.3
139.04008	1.5
144.61963	0.2
146.03781	0.2
147.00896	0.2
148.01653	0.3
149.02444	2.5
151.00388	49.9
159.04475	1.3
161.02451	0.4
161.06149	0.3
162.03331	0.3
163.00383	6.8
163.01649	0.4
163.03984	0.5
164.01161	1.0
165.01892	0.3
167.04991	0.4
169.01445	3.8
171.04608	0.2
175.04051	0.7
178.99876	22.8
179.39000	0.2
183.04581	1.3
185.02452	0.2
185.06088	0.4
187.04076	0.9
189.05655	0.2
190.99852	0.3
192.00659	0.4
193.01477	1.1
199.04022	0.7
201.05641	1.9
203.03523	1.0
205.05037	0.4
211.04041	3.2
212.04817	0.4
213.02010	0.4
214.02754	0.4
215.03621	0.2
217.05118	0.3
224.41608	0.2
227.03572	3.3
228.04315	0.3
229.05080	2.7
239.03552	1.0
243.02989	0.8
245.04578	4.6
255.03023	5.7
256.03738	0.4
257.04590	0.8
266.02023	0.3
271.02567	1.7
272.03256	0.2
273.04105	3.8
283.02579	2.7
284.03268	0.2
299.01996	0.4
300.02777	0.8
301.03592	100.0
302.03882	1.1
317.02777	0.2
381.57867	0.2
414.46796	0.2
428.00458	0.2
447.09387	0.4
449.47897	0.2
553.55762	0.2
566.38934	0.2
599.10651	6.9
599.18732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26310	0.8
56.34342	0.7
59.01375	1.2
65.00328	0.9
68.62503	0.8
72.97002	0.9
92.10064	1.2
107.01403	6.1
108.02246	0.9
109.02963	4.4
121.02959	6.0
125.02442	1.9
135.00880	1.3
151.00381	24.4
151.04002	1.3
156.17628	0.9
162.94029	0.9
163.00359	4.2
169.01404	1.3
178.99849	9.0
204.44855	0.9
211.03964	1.4
212.22282	1.0
227.03528	3.7
243.03024	10.7
245.04622	4.1
254.02290	1.1
255.03017	29.1
270.99594	2.0
271.02515	52.0
273.03983	1.8
283.02722	3.1
285.03760	1.0
300.02789	100.0
301.03574	63.0
433.46164	1.0
447.09427	89.6
506.74615	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.1051
Annotation	Kaempferol 3-(6''-galloylgalactoside)
Peak:m/z	Relative Intensity
50.19403	1.4
51.53492	1.4
53.75434	1.3
55.55325	1.4
59.01392	4.1
70.42346	1.4
71.01380	7.8
75.09621	1.5
76.38463	1.6
78.51988	1.7
90.90834	1.6
107.01422	16.4
108.14301	1.7
109.02990	2.5
119.05054	4.1
121.09855	1.8
123.00896	10.0
125.01487	3.1
125.02445	96.4
151.00395	12.0
159.69510	1.6
161.02379	1.7
163.03979	1.9
164.88724	2.0
168.00589	2.6
168.99982	3.3
169.01437	100.0
207.10544	2.0
227.03560	20.0
229.05074	7.4
237.68291	1.9
255.03024	33.9
256.03607	2.6
257.04388	6.3
284.03323	47.3
285.04074	37.4
300.02884	2.2
313.05637	20.5
539.34052	1.9
570.11566	2.2
599.10553	98.0
626.06323	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	598.2815
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02992	11.2
60.16273	2.2
61.65331	2.2
61.98840	3.7
62.50873	2.4
71.13992	2.4
72.00964	2.9
74.02499	23.7
86.02510	5.1
87.05664	6.0
90.00227	2.8
99.05636	23.3
99.87769	3.0
102.28237	2.7
109.04154	4.2
112.04073	3.0
127.05182	3.1
128.03540	54.0
135.05676	3.1
141.06728	3.6
143.04639	76.4
153.06699	4.4
160.00732	19.9
166.09816	3.4
167.04549	3.9
177.03343	2.5
179.04660	12.7
179.62146	2.5
185.05678	2.7
194.12814	2.4
210.08919	18.6
223.46960	2.7
254.07843	17.1
272.08975	24.5
288.06705	6.3
306.07700	100.0
598.28137	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	597.0896
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	6.5
60.21902	0.5
66.65942	0.5
72.99310	6.4
82.88274	0.5
87.00877	13.0
93.03447	0.6
103.00388	3.6
105.01977	0.6
107.05040	1.2
109.02984	1.2
112.98852	1.1
116.92870	1.0
120.20316	0.6
123.04493	0.6
125.02459	0.8
133.02971	1.4
134.03763	4.8
135.04535	100.0
144.79048	0.6
147.13368	0.6
149.00934	74.3
151.00398	0.8
151.03976	0.7
163.04021	0.8
169.01445	1.2
179.03519	84.6
206.72702	0.7
233.08928	0.7
269.00909	0.6
285.04065	3.1
311.04105	11.5
341.06717	0.7
458.04678	0.6
487.10629	2.4
561.16492	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2775
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	0.7
57.03463	6.7
58.00618	0.8
59.01396	100.0
60.56718	0.6
71.01395	31.6
71.01775	1.3
72.99323	1.3
81.66301	0.5
83.01409	1.3
85.02960	5.6
87.00891	2.9
88.04073	0.7
89.02453	48.4
95.01421	0.7
96.91642	0.5
96.96027	1.1
99.00877	1.1
101.02444	11.3
109.02948	0.7
111.00867	1.0
113.02459	9.9
119.03510	8.5
125.02454	3.3
131.03493	6.4
132.03061	1.0
137.02429	1.2
149.02527	0.8
149.04565	15.9
149.09776	5.4
150.03233	3.4
151.03990	0.7
153.09215	2.4
155.73065	0.6
156.03893	0.6
161.04576	2.5
165.01962	0.8
165.05569	3.4
179.04149	0.7
179.05611	6.5
179.07042	1.0
194.96007	0.6
195.06682	0.8
207.13924	3.2
243.16042	2.3
267.06650	0.7
297.11176	0.8
375.20358	2.5
436.54318	0.7
448.29251	0.7
459.64954	0.6
461.14981	0.8
504.45090	0.7
537.25610	21.8
579.44373	0.7
597.18188	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	595.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00824	0.2
52.24325	0.3
59.01392	1.6
71.16216	0.3
80.91695	0.3
85.02947	0.4
89.02475	0.4
91.01914	0.4
95.01415	0.3
95.05003	0.3
96.78975	0.3
100.50428	0.3
101.02448	0.5
105.15363	0.3
109.38090	0.3
119.05083	0.3
120.02145	2.1
121.02953	100.0
123.04514	0.5
125.02454	2.5
136.01649	1.2
151.00294	0.3
169.01436	0.7
177.01768	0.3
209.04581	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.29
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31725	0.5
59.01408	1.6
63.95848	0.6
66.22773	0.6
69.58255	0.6
78.95910	15.8
86.76860	0.6
92.10031	1.4
96.96980	2.7
104.08897	0.6
117.03478	1.5
152.98483	1.2
152.99611	16.7
153.06363	0.6
209.06081	1.0
210.06892	8.8
223.00206	1.0
237.05664	7.4
238.06363	31.5
241.01237	3.6
253.08722	100.0
254.08989	1.4
268.11087	25.7
279.23331	15.2
315.04965	2.6
535.21674	11.0
595.29034	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	595.3348
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40741	0.7
55.08051	0.7
57.03446	1.2
59.01387	4.6
61.91833	0.8
65.14177	0.7
71.83573	0.7
76.40040	0.8
91.36098	0.8
92.10163	1.7
93.07095	0.9
101.02496	0.7
102.31937	0.8
118.40177	0.8
119.03379	0.8
125.02436	5.9
126.02750	1.0
137.02423	0.9
139.04025	1.6
149.06039	1.2
150.03207	1.0
151.04007	7.0
162.96355	0.8
163.02510	1.2
165.05534	4.9
169.01480	5.7
170.01804	1.4
171.01869	1.3
189.10445	1.0
197.15413	1.0
230.55846	0.8
243.15955	1.4
255.03033	1.1
285.03946	1.2
301.10843	1.2
343.24908	8.4
355.25027	3.8
373.26025	100.0
374.26266	1.5
442.08170	1.2
443.08990	1.3
519.38055	0.9
535.31549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.2353
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99754	0.2
59.01390	2.5
61.12896	0.2
61.98863	0.4
65.38191	0.2
65.67496	0.2
73.62666	0.2
74.50676	0.2
78.95914	11.5
84.97469	0.2
93.03478	1.2
96.96981	2.7
108.02229	0.4
117.03497	1.8
131.38290	0.3
141.93457	0.3
152.99612	15.7
160.78702	0.3
169.06609	0.6
171.00684	0.3
176.44012	0.3
209.06079	1.1
210.06917	7.3
210.08727	0.5
215.70833	0.3
223.00143	2.1
227.90506	0.3
237.05621	6.2
238.06400	26.0
241.01210	4.7
253.08745	100.0
254.09033	1.0
268.11090	24.9
279.23315	15.3
279.25769	0.4
315.04950	1.9
535.21393	12.0
595.29010	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	595.235
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69036	0.6
59.01391	6.4
61.98837	0.7
64.89177	0.6
65.70289	0.7
71.20840	0.6
78.95918	0.9
80.74883	0.7
88.85358	0.8
93.30199	0.7
108.04060	0.8
116.92881	1.1
117.03503	1.3
152.99654	1.4
192.41559	0.8
210.06924	6.7
237.05644	6.7
238.06404	27.8
253.08740	100.0
268.11108	25.9
279.23471	0.9
352.70255	0.8
535.21393	10.7
595.29016	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	595.2043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.4
59.01391	9.4
64.34608	1.2
70.02247	1.3
71.01408	7.6
72.77463	1.2
78.26234	1.4
83.93522	1.3
86.37638	1.3
88.41746	1.3
89.02464	1.2
91.88202	1.3
101.02480	2.6
108.02173	12.6
113.02488	1.7
122.03761	2.1
123.04501	2.6
124.01682	3.1
125.02469	2.7
133.02873	1.4
134.03745	37.3
136.01675	29.9
139.04028	15.2
149.02454	7.4
149.06094	28.5
150.03244	28.9
151.00191	1.3
151.04025	100.0
153.05602	5.9
165.05582	78.5
176.71375	1.3
177.05600	1.8
182.85283	1.6
206.03777	1.4
301.10873	46.7
373.25931	1.9
378.48883	1.5
401.02307	1.5
433.13562	3.0
445.13464	5.4
463.16541	1.6
479.35092	1.5
485.49548	1.6
535.31592	2.8
595.20612	30.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1681
Annotation	Aromadendrin 3-rhamnoside-5-glucoside
Peak:m/z	Relative Intensity
53.74428	0.6
54.83472	0.6
57.03452	1.0
59.01391	4.5
60.42373	0.6
61.58032	0.6
63.02421	3.3
65.00329	12.6
66.48862	0.6
71.01383	1.6
71.39578	0.6
75.67683	0.7
83.01405	8.8
85.02964	0.9
101.02467	1.0
103.00372	0.9
107.01395	28.3
108.02177	5.7
109.03001	0.9
121.02943	1.0
123.00887	0.9
123.04492	2.3
125.02464	8.5
134.03743	39.2
135.04550	0.9
136.01656	5.9
137.02458	2.5
141.01877	0.6
141.56348	0.7
149.06099	23.7
151.00381	100.0
152.01012	0.6
158.03592	0.8
160.01613	0.8
164.01167	11.2
165.01923	4.4
169.01436	5.9
171.01935	0.7
173.05986	0.8
174.03204	1.4
175.00365	1.2
175.03996	4.4
177.02003	6.5
182.87169	0.6
187.04132	0.7
196.00143	4.2
199.04037	2.6
201.01981	2.7
202.02568	0.6
205.01506	0.7
213.05649	0.9
215.03525	1.2
241.05064	1.0
242.05916	1.5
257.08212	3.1
283.18176	0.7
285.04050	1.4
286.04794	2.7
291.38434	0.7
301.07220	83.5
302.07553	0.7
325.06854	0.9
343.08224	1.5
353.36935	0.7
373.18585	0.9
373.25970	1.5
433.11209	0.7
445.09631	5.1
468.99457	0.7
475.12347	2.9
559.14471	1.0
595.16797	57.3
596.17841	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0946
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	7.2
59.75021	0.9
61.16645	0.9
71.01379	1.7
73.02898	1.2
75.56582	0.9
75.76042	1.1
83.01392	1.4
92.65761	1.1
96.96006	1.4
101.02450	1.4
107.01420	2.2
109.02950	2.6
124.01636	1.6
125.02438	7.1
137.02428	5.9
149.99522	2.0
151.00377	15.6
151.04095	1.3
151.79831	1.0
165.01888	1.2
168.00717	1.3
169.01474	2.1
176.01158	4.5
178.99863	11.3
185.06123	1.2
191.03539	2.0
214.02681	6.4
219.97752	1.3
226.18402	1.1
242.02240	7.1
243.02986	2.3
259.02512	6.3
270.01672	6.1
271.02551	38.7
277.06378	1.2
287.02045	27.0
299.02075	1.6
316.02283	100.0
317.03030	24.4
463.02417	2.4
463.08932	64.0
595.09460	11.8
595.19922	2.1
620.85400	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1679
Annotation	Eriocitrin
Peak:m/z	Relative Intensity
54.32201	1.3
56.89700	1.4
57.03457	2.7
59.01385	21.6
63.02406	6.3
65.00340	9.3
66.76206	1.3
71.01391	7.4
72.93778	1.1
72.99323	2.1
78.61185	1.1
80.90510	1.4
81.03448	2.0
83.01415	10.0
85.02968	8.7
87.70293	1.4
89.02442	6.6
92.66174	1.6
92.66734	1.8
93.03468	3.6
95.01370	2.0
96.96024	5.9
97.02962	5.7
97.18510	1.5
100.24632	1.5
101.02439	3.2
107.01398	16.6
109.02962	7.7
110.24328	1.3
111.00876	1.8
113.02507	1.7
117.03484	2.4
119.03500	2.1
119.05013	22.8
121.02911	3.4
123.04497	4.8
124.01650	8.6
125.02449	38.7
126.02882	2.0
129.01976	2.4
133.02953	2.3
134.03740	2.9
135.04546	20.1
137.02469	3.5
139.00327	1.9
139.04082	5.4
143.05048	2.7
145.02927	2.9
147.03038	18.5
147.04216	1.8
147.04468	1.6
149.02461	6.7
151.00385	60.4
151.03990	3.3
152.01155	49.6
153.01967	10.8
161.08189	7.9
163.00349	2.2
163.03993	1.8
165.01903	3.4
167.03479	6.5
169.01419	6.4
173.06110	5.6
175.00394	2.7
177.01903	3.2
178.99875	100.0
179.03436	14.7
180.00575	2.5
181.01448	3.0
187.03995	2.1
193.01489	5.2
197.06091	1.7
203.64110	1.4
205.01402	2.6
215.07089	3.3
225.05548	1.8
233.42622	1.6
235.02492	6.1
239.03523	3.0
243.06587	2.2
249.04118	1.7
259.06143	53.8
259.68665	1.7
268.03870	11.2
269.04578	89.2
271.06253	1.9
283.06213	5.5
286.04678	1.7
287.05640	21.1
301.07156	2.2
311.05698	5.4
313.07346	10.0
343.08453	2.8
355.08279	29.6
385.09494	19.5
415.10419	3.4
421.11343	3.0
431.09933	11.2
433.11417	82.8
449.10886	17.4
475.12503	9.9
595.16840	26.5
621.56702	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.3552
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70590	1.4
53.82809	1.3
55.01898	3.7
58.00613	1.7
59.01388	74.7
61.98846	2.3
62.48571	1.7
71.01383	33.5
73.02951	6.9
83.01411	2.8
85.02974	13.1
87.00909	2.9
89.02447	14.5
95.01419	2.3
101.02431	20.8
113.02470	13.1
119.03503	2.8
125.02480	2.9
139.23196	1.7
161.04576	8.4
222.66486	2.0
371.28003	16.0
533.33398	100.0
534.34088	1.9
557.35095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.0952
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08587	0.4
57.03472	0.6
59.01384	9.4
62.35789	0.5
63.02396	0.6
65.00336	1.4
71.01374	2.6
83.01397	0.9
85.02975	0.6
87.00895	0.7
89.02447	0.7
92.65485	0.7
94.35349	0.6
96.96005	1.1
101.02438	0.9
107.01408	3.4
108.02204	1.2
109.02970	2.9
113.02396	0.6
121.02944	4.7
123.04531	1.0
125.02448	4.4
131.07085	0.7
137.02475	0.6
148.01724	1.2
151.00386	16.9
151.03935	0.7
152.01097	1.3
153.76825	0.5
161.02437	0.9
163.00383	3.7
164.01183	0.6
167.53314	0.6
169.01448	2.4
175.04053	0.7
177.01962	0.6
178.99844	5.1
183.04605	1.1
187.04048	0.7
206.54427	0.6
211.03961	0.7
213.01985	0.6
226.02823	0.9
227.03508	3.4
227.12932	0.7
243.02998	8.6
245.04610	1.2
254.02158	1.4
254.87144	0.7
255.03020	26.9
269.04614	3.1
271.02505	55.1
272.03070	2.0
273.04111	0.8
283.02502	0.8
287.15002	0.7
299.02054	2.1
300.02802	100.0
301.03574	37.0
463.08939	76.7
463.14127	1.3
464.09106	1.0
595.08923	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	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42547	2.0
54.83027	2.3
56.62565	2.2
59.57036	2.3
60.18903	2.2
68.45527	2.5
78.95901	78.7
78.96317	4.3
83.86092	2.6
84.70345	2.3
92.10207	3.6
96.96954	13.5
108.61298	2.3
152.99593	100.0
223.00143	12.6
237.26241	2.6
241.01196	25.9
251.29108	2.5
277.21793	67.6
290.50079	3.0
315.04953	15.8
424.49713	3.4
593.27551	90.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58731	0.8
54.82776	0.8
59.33945	0.6
64.95518	0.8
72.25315	0.8
76.89095	0.7
78.95905	68.0
80.81364	0.7
81.93701	0.8
87.71317	0.8
91.95289	0.7
96.96963	14.6
97.53385	0.9
105.12360	0.8
105.13203	0.8
127.11829	0.8
148.92477	0.8
152.99605	100.0
171.00676	1.5
190.30527	0.8
207.74403	0.9
223.00186	11.6
236.29498	0.8
241.01227	25.2
259.02179	1.0
274.79810	1.0
277.21762	59.0
287.57947	0.8
315.04987	11.4
593.27496	77.5
594.27533	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98844	0.9
55.01891	1.7
57.03457	2.4
58.00618	0.9
59.01390	64.8
61.98848	2.0
65.61353	0.8
70.74788	0.9
71.01391	32.2
71.54186	0.9
72.99335	1.1
73.02959	9.8
83.01411	4.5
85.02964	14.9
89.02451	15.4
95.01395	4.0
99.00877	1.8
101.02445	23.8
103.87979	1.0
107.01392	1.3
109.02975	1.2
113.02442	13.8
119.03510	4.3
125.02474	1.7
137.02342	1.0
143.03517	1.3
151.00372	4.5
159.03073	1.1
161.04552	6.5
169.01408	1.4
178.99895	2.0
179.05774	1.3
213.84271	1.0
238.14342	1.0
241.14449	3.8
253.86565	1.1
255.03036	5.0
271.02600	8.0
289.06985	1.2
300.02869	7.8
301.03622	10.5
353.26758	1.3
371.28070	14.8
445.88913	1.4
489.34158	1.9
529.22345	1.2
533.33398	100.0
593.13129	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30194	0.4
57.03460	0.7
59.01389	0.7
59.61173	0.3
64.34618	0.4
65.00331	0.5
81.03461	2.8
92.10072	1.9
93.03468	0.7
95.27180	0.5
96.96022	0.9
107.01424	0.9
108.02193	0.4
109.02923	0.6
121.02975	0.5
122.03693	0.8
123.08183	0.9
125.02456	6.5
125.06107	3.0
138.72427	0.4
149.02478	0.4
151.00359	1.5
159.04488	0.4
165.09221	32.9
175.00502	0.5
187.04019	0.7
191.07161	0.8
197.06194	0.5
205.08691	0.5
209.08228	100.0
210.08583	0.6
211.03957	0.8
223.09801	2.4
227.03574	6.7
229.05136	2.9
233.08234	15.4
241.05298	0.5
251.09296	7.8
255.00429	0.7
255.03072	14.2
257.04587	1.8
263.09375	1.7
271.02359	0.6
284.03345	13.3
285.01221	0.8
285.04102	16.7
299.02008	0.5
300.02780	1.8
301.03494	0.8
325.63687	0.4
371.13553	40.5
380.61618	0.4
444.86298	0.5
447.09775	0.6
593.15240	11.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64256	0.3
59.01392	3.8
60.39463	0.3
70.91788	0.3
71.01410	0.5
79.85239	0.3
89.02473	1.8
93.03490	0.8
107.01437	0.7
109.02949	0.5
117.03490	0.8
123.04516	0.5
125.02444	2.7
137.02441	0.4
151.00404	0.8
159.04550	0.6
163.00378	0.7
169.01425	0.8
169.06622	1.6
171.04601	0.5
183.04515	2.9
185.06116	0.6
187.04065	0.6
195.04514	0.4
199.03970	0.4
211.04059	2.5
213.05553	0.8
215.03711	0.5
227.03610	3.6
239.03522	0.4
243.03011	0.7
255.03026	36.6
256.03525	0.5
257.04593	0.9
269.04578	0.7
281.04727	0.7
283.02524	67.7
284.03165	3.7
285.04095	100.0
286.04523	0.6
327.05112	2.7
431.09985	5.6
446.08707	7.5
447.09360	11.2
533.26245	0.6
593.15222	20.0
594.15344	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32845	7.9
56.12116	7.7
57.43701	9.3
59.01391	15.5
60.61100	7.9
61.98830	100.0
65.57417	8.2
81.14819	9.1
92.10768	36.5
104.89901	9.1
119.93111	10.9
125.02444	16.0
128.51743	12.6
135.04561	89.3
147.04616	9.5
151.00363	24.3
176.25609	10.1
211.13449	12.9
217.40825	10.6
297.62875	10.7
344.04636	10.9
370.61923	9.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79603	0.6
51.02872	0.6
53.93990	0.6
59.53761	0.6
93.03474	1.3
107.01415	3.7
117.03522	0.9
132.02190	0.8
135.00885	3.0
143.05077	1.3
151.00398	4.1
156.57436	0.7
157.06653	1.3
159.04489	1.4
163.00395	5.1
167.04930	1.1
171.04616	1.1
183.04541	1.4
185.06105	3.7
187.04027	6.0
189.05615	1.7
197.06113	1.1
201.05701	1.2
211.04019	4.2
213.05627	4.1
227.03535	51.1
228.04007	0.8
229.05060	17.6
239.03525	1.6
241.05031	1.5
255.03024	80.1
256.03705	6.3
257.04565	8.9
284.00745	1.3
284.03299	87.6
285.04083	100.0
313.67697	1.0
392.99255	0.7
593.15308	81.5
594.15967	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	593.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14958	0.2
52.48208	0.2
55.10254	0.2
58.95253	0.2
59.01393	0.3
63.02415	0.4
65.00341	0.8
76.33730	0.2
83.01379	0.4
85.49599	0.3
92.10785	0.2
93.03477	0.5
96.96014	0.3
101.02452	0.3
107.01395	2.4
109.02965	0.3
125.02477	1.2
132.02185	1.2
133.02972	0.4
135.00868	2.1
143.05057	0.9
151.00386	3.9
152.80737	0.2
153.01903	0.3
156.05992	0.2
157.06552	0.4
159.04558	0.3
163.00398	1.9
164.01192	0.4
165.01923	0.3
165.09241	1.3
167.05040	0.4
169.01349	0.3
169.06567	0.4
171.04578	0.4
175.03932	0.3
178.99939	0.3
183.04533	1.2
185.02496	0.3
185.06076	1.5
187.04076	1.4
188.66472	0.2
189.05580	0.5
190.99922	0.3
195.04613	0.3
197.06160	0.8
199.04074	1.0
200.04863	0.4
209.08255	2.9
211.04001	2.2
213.05620	1.0
214.02696	0.3
217.05122	0.3
227.03540	47.6
228.04146	1.2
229.05086	7.4
233.08162	0.3
239.03625	1.8
240.04308	0.4
241.05165	1.3
255.03029	85.0
256.03723	5.4
257.04498	3.5
267.02911	0.3
269.04504	0.3
273.01520	0.2
283.02606	1.3
284.03311	100.0
285.04083	33.3
286.04391	0.3
327.05298	0.5
371.13535	1.4
374.19339	0.3
398.16818	0.2
521.80646	0.2
533.26068	1.4
593.15277	57.6
594.15356	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	2.0
58.97580	0.8
59.01396	5.4
61.59648	0.8
63.73463	0.8
65.00339	1.4
69.03471	1.2
70.61658	1.0
71.01400	1.9
73.02934	1.0
81.03506	1.3
83.01447	2.1
85.02985	1.3
96.96031	1.8
97.02979	3.8
107.01402	5.0
109.02980	8.9
111.01007	1.2
121.02979	3.7
123.00830	1.3
123.04513	4.6
124.01702	1.0
125.02455	60.1
135.00897	1.6
137.02460	4.6
140.29881	0.9
144.96159	1.1
145.02983	1.7
148.01631	3.8
149.02460	2.1
151.00389	13.7
151.04016	5.8
159.04521	3.6
161.02484	1.3
161.06165	1.8
163.00420	3.9
164.01132	2.1
165.01979	1.7
168.00612	1.1
169.01445	57.7
173.06149	1.1
178.99870	7.5
179.03490	1.7
187.04004	2.1
189.10829	1.0
190.99901	1.0
193.01456	2.1
203.07213	3.6
211.04099	1.1
226.02760	1.4
227.03546	6.3
227.07130	1.7
229.05159	1.2
243.02982	17.2
245.04785	1.2
245.08066	4.2
253.05083	1.5
254.02254	2.1
255.03012	40.8
269.08173	1.1
271.02539	69.5
271.05649	2.5
272.03128	1.3
283.02457	1.4
284.03339	5.4
285.04077	4.2
289.07205	20.2
299.02008	5.3
300.02820	100.0
301.03586	26.5
369.09976	1.2
371.24408	4.8
397.09262	1.9
399.99133	1.0
441.08408	25.5
442.09286	1.2
483.26563	1.3
533.29590	1.2
592.29248	1.1
593.15295	69.5
594.15820	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.1524
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94332	0.3
53.53199	0.3
53.66854	0.3
55.01884	0.3
57.03452	0.7
59.01384	2.9
63.02399	0.4
65.00336	1.3
71.01382	1.8
81.03467	0.3
83.01400	2.1
85.02986	0.6
89.02454	0.5
93.03486	0.6
95.05009	0.3
97.02941	0.6
101.02444	1.1
107.01378	2.7
108.02165	0.5
109.02960	4.8
110.69222	0.4
111.00908	0.4
112.92336	0.3
113.02475	0.4
121.02938	2.6
123.00893	1.7
123.04541	1.9
125.02446	24.1
126.02815	0.4
135.00845	0.6
135.04506	0.4
136.98953	0.3
137.02435	2.6
139.00392	0.5
140.01126	0.4
145.02931	0.8
146.03717	0.4
148.01692	0.5
149.02422	0.6
151.00385	8.5
151.04025	2.2
157.06607	0.4
159.04550	0.8
161.06075	0.5
163.00378	2.2
164.01222	0.5
165.01933	0.5
167.03520	0.3
168.00677	1.7
169.01431	26.9
170.01862	0.4
173.06039	0.4
178.99867	3.4
179.03462	0.7
180.05833	3.7
181.06622	8.5
183.04492	7.2
185.06073	0.8
187.04071	1.5
192.14922	0.4
193.01451	1.4
196.05231	0.5
197.06117	0.5
198.42982	0.3
199.04036	0.5
201.05588	1.4
203.07123	1.6
205.05051	0.8
211.04022	0.8
224.04732	1.5
225.05600	100.0
226.06062	0.4
227.03546	2.7
229.05077	3.2
243.03049	4.1
245.04584	1.4
245.08142	2.6
249.05513	1.2
254.02299	0.4
255.03029	8.9
257.04602	0.8
267.06625	0.3
271.02505	17.1
271.05814	1.2
273.04285	0.5
283.02548	1.3
284.03253	1.3
285.04089	7.8
289.07236	9.5
299.02115	1.9
300.02795	20.0
301.03583	18.9
303.05099	0.5
318.87823	0.3
369.09818	1.9
397.09457	0.5
441.08292	12.2
533.16785	23.0
533.25195	1.3
593.15381	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	593.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	0.2
59.01401	0.8
59.22647	0.1
60.97939	0.2
77.03990	0.2
78.52271	0.2
92.10129	0.2
120.02187	0.9
121.02964	100.0
121.57561	0.2
122.03773	1.4
125.02329	0.2
136.01660	0.2
165.01947	3.2
167.10594	0.2
180.05939	0.5
181.06613	2.5
195.13878	1.0
197.06113	2.3
202.18147	0.2
207.04475	0.8
209.04593	32.0
221.15453	0.4
223.13365	0.3
225.05598	2.0
251.07175	0.2
253.89076	0.2
257.09677	0.4
283.09781	2.8
291.19760	1.9
297.08981	0.2
309.20761	7.8
313.07288	2.0
357.06241	0.8
383.07864	0.8
417.09824	1.2
505.11469	1.9
549.10431	4.5
593.04382	0.4
593.13196	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	593.1312
Annotation	CHEBI:75674
Peak:m/z	Relative Intensity
57.03455	15.8
68.73129	1.0
81.03465	1.3
83.01408	4.8
83.63783	1.0
93.03452	4.5
95.05057	1.8
96.96027	1.5
97.02953	5.0
108.02187	1.2
109.02964	27.8
121.02958	10.2
123.04514	19.4
125.02448	95.2
133.02974	4.4
137.02443	24.5
138.03273	1.1
139.03993	4.9
145.02995	1.4
146.03677	1.4
149.02477	16.3
151.04027	20.5
159.04515	4.5
160.05273	1.4
161.02423	3.9
161.06081	4.8
162.03343	1.5
163.00342	1.2
163.03990	2.7
164.01181	4.7
165.01909	7.5
167.03571	2.6
175.04048	13.4
175.07709	1.1
177.01947	100.0
179.03532	8.3
185.06145	2.0
187.04027	9.5
188.04677	4.1
193.05066	2.0
203.07166	13.1
205.05034	9.7
211.04015	1.4
215.03540	1.6
217.05086	1.7
221.08104	2.1
227.03551	1.5
227.07100	1.4
229.05032	2.5
243.02998	4.8
245.08246	14.7
255.02914	11.6
256.03711	5.6
257.04620	2.5
261.04089	1.5
273.04105	3.9
281.04608	4.4
289.07251	48.6
297.07666	1.2
303.05029	4.6
315.05231	1.8
339.08731	2.5
381.09921	1.5
407.07788	48.3
407.13123	1.8
425.08942	24.6
441.08130	1.3
463.86206	1.3
467.10153	3.9
593.13055	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	593.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.4
59.01389	1.1
69.03474	1.3
71.01402	1.1
76.44289	0.8
81.03480	3.1
83.01405	1.8
93.03458	0.9
95.05019	0.9
97.02968	1.7
107.01378	1.4
109.02972	8.3
121.02948	1.1
123.00909	1.0
123.04520	7.8
125.02442	86.5
137.02437	8.6
145.02968	1.8
146.03877	1.1
149.02484	1.6
151.04033	7.3
159.04526	1.8
161.06142	1.8
164.01157	1.5
165.01959	1.3
169.01431	100.0
179.03502	1.7
184.94815	0.8
185.06168	1.3
187.04008	3.1
188.04794	1.7
193.01463	4.9
203.07227	5.9
205.05167	1.5
221.08380	0.9
225.05585	1.0
227.07265	1.0
245.08255	11.3
253.05058	0.9
255.03011	3.3
271.06140	4.1
284.03375	4.4
285.04068	3.3
289.07220	33.6
303.05142	1.4
417.79388	0.9
431.22733	0.9
441.02332	1.9
441.08310	41.8
441.14264	1.8
562.67957	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	593.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28295	0.6
57.03464	2.5
69.03455	0.9
81.03479	1.4
83.01405	3.1
87.57384	0.6
95.77036	0.5
97.02955	4.0
109.02958	9.8
121.02979	0.8
123.00896	1.1
123.04514	5.2
125.02453	83.3
134.39226	0.6
135.04587	0.8
137.02451	8.0
140.01094	0.7
145.01508	1.0
145.02962	2.5
146.03706	0.9
149.02441	3.7
151.04015	6.0
159.04530	2.4
161.06052	2.7
164.01187	0.8
165.01949	3.2
168.00615	1.0
169.01442	100.0
170.01894	0.9
179.03505	2.9
187.04054	1.1
188.04826	0.9
188.38925	0.7
193.01379	4.0
203.07150	6.5
205.05049	3.5
221.08189	2.4
245.08235	11.7
253.05098	0.7
271.02341	0.9
271.06177	4.0
289.07233	32.7
300.02805	2.6
303.05170	1.3
316.03992	0.7
321.02487	0.8
441.02283	1.4
441.08353	44.9
447.09192	2.2
593.09363	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	593.0948
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.2
59.01385	0.9
64.60707	0.5
69.03468	2.2
81.03472	3.0
83.01428	0.9
89.02372	0.5
95.01414	0.7
95.05041	2.4
97.02937	4.0
101.61633	0.6
107.01425	1.2
109.02952	12.7
121.02962	1.0
123.00902	2.3
123.04514	6.3
124.01685	1.1
125.02442	91.8
126.02767	1.1
127.00363	0.6
135.04565	1.1
137.02448	10.9
138.03268	0.7
139.03990	2.5
140.01149	0.5
145.02956	3.6
146.03749	0.8
149.02477	4.1
151.00412	0.8
151.04028	8.0
159.04515	3.3
161.02414	1.2
161.06096	3.0
164.01167	1.1
165.01907	2.7
166.99976	1.2
168.00661	1.1
169.01437	100.0
170.01698	0.6
175.07574	0.9
179.03534	2.7
185.06114	1.0
187.04016	2.0
188.04770	2.1
193.01469	4.9
202.06429	1.1
203.07193	8.4
205.01620	0.7
205.05139	4.0
221.08238	1.0
227.07042	1.1
231.02766	0.6
245.08163	9.5
253.05144	0.9
255.02969	0.7
257.70880	0.5
271.06165	4.5
287.05719	0.6
289.07208	39.3
303.05127	2.7
321.02530	0.8
331.04623	1.1
441.08334	43.8
593.09558	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.217
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98854	70.9
66.03838	64.5
88.94353	79.3
89.92098	72.4
113.17554	75.1
129.06372	81.4
138.16429	88.1
175.68332	86.3
180.21057	89.0
198.34937	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	592.2045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36570	0.6
54.83086	0.8
57.03457	6.5
59.01395	0.7
61.66788	0.7
66.43362	0.7
69.03481	0.9
81.03472	5.8
83.01408	5.3
85.03004	0.9
87.00929	0.8
93.03483	4.3
95.05052	5.3
97.02962	11.5
97.22203	0.7
99.00988	0.7
99.04534	0.7
107.05018	1.2
108.02142	1.0
109.02964	45.0
119.05029	3.0
120.05363	1.5
120.71278	0.7
121.02949	5.6
122.03745	1.8
123.04528	35.0
124.01712	0.7
125.02451	37.9
135.04544	2.9
137.02452	16.9
138.03300	1.7
139.04021	6.9
145.02992	2.5
146.03793	1.4
149.01067	1.3
149.02480	9.4
150.03221	1.7
151.04033	17.6
157.72467	0.8
159.04570	6.0
160.05331	3.2
161.02490	1.6
161.06082	9.1
162.03259	1.7
163.04024	5.0
164.01207	5.2
164.04347	1.0
165.01935	7.6
166.02681	0.9
167.03516	5.5
173.06123	1.6
175.04050	6.2
175.07663	3.4
177.01982	4.8
177.05536	1.2
179.03520	9.1
181.01376	0.9
185.06129	1.2
187.03958	6.3
188.04794	7.7
199.07730	0.9
201.05603	1.6
202.06442	3.2
203.07182	19.9
205.05121	13.4
212.04953	0.9
217.05170	0.8
217.08791	1.0
221.08325	5.9
227.07214	3.1
230.05913	0.7
231.02869	1.2
239.05695	1.0
243.02960	1.2
245.08223	25.5
245.10603	1.5
247.06172	1.4
271.06009	0.9
279.44067	0.7
289.07239	100.0
290.07498	1.1
328.09155	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	592.2047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56991	2.7
54.19466	2.2
57.03455	3.5
58.00600	3.8
59.01385	100.0
61.98846	7.0
69.03450	5.8
71.01377	42.3
72.99330	4.4
73.02969	17.2
82.58884	2.4
83.01435	4.6
85.02952	23.5
86.43172	2.7
87.00866	4.2
88.98806	3.8
89.02448	21.0
96.80708	2.8
97.02940	3.6
101.02457	29.0
103.04021	23.2
116.92876	7.0
119.03506	5.5
125.02455	24.1
131.51567	2.8
163.06128	24.4
223.06335	4.4
267.06473	3.3
280.59302	3.0
307.10373	54.1
349.79889	3.9
393.43619	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	589.3239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83054	1.6
59.01391	20.5
61.98838	44.5
71.01402	4.6
85.02999	1.9
89.02460	2.5
89.60401	1.7
96.23590	2.4
101.02439	2.6
102.67788	2.1
111.08170	2.1
113.71150	1.9
125.02468	3.6
137.02434	2.0
161.02513	2.3
172.69034	2.5
195.13911	12.3
223.13428	8.4
250.74539	2.4
253.09337	26.9
265.93555	2.0
273.46997	1.8
275.20181	4.0
285.81149	1.8
289.03345	1.9
293.21252	100.0
319.16022	2.5
444.91220	2.0
529.29877	2.6
601.98779	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	590.2828
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98836	100.0
70.73135	0.2
72.81848	0.2
77.36957	0.1
92.10788	0.4
127.94009	0.2
133.33185	0.2
146.17461	0.2
244.55792	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2831
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68855	0.2
58.33021	0.2
59.01387	2.1
60.01739	0.2
61.98838	100.0
68.60332	0.2
71.01392	0.4
73.02934	0.2
75.95338	0.2
85.02934	0.2
89.02455	0.4
101.02461	0.4
114.64149	0.2
163.06134	0.4
205.66245	0.2
207.07597	0.2
254.14493	0.2
281.46667	0.2
550.73071	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.3557
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73930	0.7
54.83144	0.9
59.01386	1.7
61.98834	100.0
63.44120	0.9
71.01377	1.2
74.86761	0.8
92.10777	1.9
137.02472	1.1
185.28041	0.9
209.11882	2.0
232.27550	0.9
279.20657	0.9
370.55679	1.0
499.55737	0.9
520.65491	1.0
561.43958	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.1731
Annotation	Isocytisoside 3''-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
51.14285	2.0
57.03468	4.7
59.01376	20.7
61.98850	5.5
65.00339	10.4
71.01373	2.3
72.99340	2.7
77.20640	2.5
78.58394	2.1
79.41505	2.0
81.60828	2.4
83.01408	5.1
85.02989	3.0
85.51324	2.2
87.00871	3.3
88.98808	3.6
93.03474	3.4
96.96021	13.1
104.34532	2.4
107.01430	11.1
123.04552	3.2
124.01667	5.5
125.02458	35.0
130.32191	2.9
133.02930	5.8
137.02472	3.0
145.02980	3.0
149.02422	2.5
151.00401	27.8
152.01201	2.6
161.02510	4.1
164.01154	4.7
177.01886	4.8
178.99858	12.5
185.02435	3.8
187.07782	3.1
193.01360	4.5
199.04062	10.0
209.11801	3.5
214.02669	4.7
215.03569	3.7
227.03395	9.7
243.03023	30.9
271.02563	3.4
275.05637	27.1
286.01263	2.5
287.01968	10.4
301.03757	2.8
303.04974	3.2
303.45999	2.5
323.09204	4.6
329.02991	9.8
330.03946	4.6
359.11395	3.1
367.08249	3.4
369.22702	2.7
375.37979	2.6
381.10016	3.4
399.10791	3.2
415.10056	2.9
427.10306	10.2
445.11545	4.6
591.17297	100.0
591.26251	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	588.2678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28050	0.7
58.33016	0.8
61.98835	100.0
67.58253	0.7
125.02460	1.7
149.06152	1.5
151.04039	2.0
165.05527	1.7
337.35110	0.9
348.41382	0.9
357.46243	0.8
403.02917	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09155	1.9
57.03461	13.0
59.01381	3.3
63.58589	2.0
72.33741	2.6
83.01402	3.8
93.03455	3.9
95.58781	3.0
105.75838	2.3
109.02953	9.8
121.02968	15.1
125.02448	80.1
133.02917	4.2
139.04070	3.4
149.02431	10.8
151.00343	19.4
161.02458	32.9
175.03993	5.1
178.99899	3.3
185.02460	2.9
185.08188	4.0
190.99821	3.3
199.04062	17.0
201.01845	3.7
243.03001	75.1
245.04417	4.1
255.02916	4.1
269.00928	4.0
271.02676	4.5
272.03516	2.7
283.02719	3.0
295.02252	3.6
300.03091	2.9
301.03571	100.0
359.00421	2.6
437.05212	67.0
445.05807	3.5
463.06924	24.5
589.09888	15.7
590.67908	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2008
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02661	45.8
59.01383	71.9
61.36535	54.3
61.98835	100.0
71.16844	48.7
80.93497	53.0
81.57904	47.8
99.59989	60.6
106.87257	57.6
115.48319	60.4
133.43704	53.6
139.97675	57.4
165.68788	58.1
215.08054	59.0
267.82892	58.0
501.20383	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	7.0
59.01401	13.3
61.98835	20.8
64.35030	2.3
65.00340	3.8
78.95930	15.1
83.01421	17.2
91.05537	4.9
93.03448	5.4
107.01406	11.0
108.02198	30.2
108.57363	3.1
109.02991	5.5
122.03719	4.0
123.04530	45.9
124.04872	6.8
125.02493	26.3
126.02821	5.5
133.02959	5.1
134.03761	100.0
135.04491	5.4
136.01678	12.1
137.02444	3.1
148.01692	14.3
149.02472	3.9
149.06119	59.9
150.03284	18.6
151.00415	12.5
151.04044	34.7
152.00851	3.1
152.99620	11.2
153.05630	4.3
156.67532	3.1
161.02487	11.6
161.48595	2.8
162.03194	3.1
163.04007	25.6
164.01256	5.2
165.05589	28.3
167.03484	45.1
168.03877	19.0
169.04034	17.2
176.01172	50.9
178.02779	4.1
188.01172	4.8
189.01903	30.1
190.02704	12.2
191.03499	24.1
201.11340	6.8
203.29753	3.2
205.05162	6.7
209.06128	6.2
209.11856	45.3
225.05551	3.5
226.06284	4.3
227.03503	5.8
237.05624	14.6
239.03644	5.7
239.07091	4.1
240.04292	4.8
251.03476	4.8
253.04967	4.4
253.08701	3.1
254.05891	6.2
255.06648	6.4
265.05212	4.0
267.06598	12.1
269.04483	4.5
269.08173	5.7
282.05475	3.1
285.07654	6.0
297.07669	11.6
299.09216	6.4
301.10696	4.2
313.10880	6.8
325.07233	18.0
340.09570	17.3
341.10342	20.8
405.13593	5.3
407.10919	3.3
589.24585	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	587.3814
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94436	2.0
57.03463	2.5
57.10595	2.3
58.43322	1.9
59.01389	58.7
59.96468	1.8
60.51389	1.9
61.98841	14.3
71.01424	4.9
73.02950	12.1
82.29045	2.6
85.02959	2.6
87.04518	3.3
88.98837	2.8
99.04546	4.3
111.08200	2.6
113.50980	2.5
121.06619	3.5
123.04565	2.9
123.08204	2.9
125.02460	4.0
133.76068	2.3
134.03751	6.1
135.08127	18.7
137.06110	15.0
139.07614	3.0
148.01714	5.5
149.06180	3.8
149.09750	4.7
153.09285	3.6
162.06868	53.7
162.08087	3.0
165.13145	2.2
167.03511	3.9
177.09222	74.8
179.07104	5.7
217.14397	4.4
269.08105	4.3
331.24823	4.0
387.27490	2.8
485.34940	4.0
509.34891	100.0
527.36084	78.3
551.94891	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	587.3812
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82955	1.6
57.03463	2.4
59.01391	100.0
59.01693	3.3
61.98837	2.3
71.01384	2.8
73.02963	10.4
83.05065	1.4
87.00893	3.1
87.04531	1.5
89.02425	1.8
94.76588	1.5
101.02450	1.5
109.06619	1.7
113.09728	1.9
135.08189	15.0
137.02441	1.7
137.06044	11.7
139.07666	5.8
148.01707	2.4
149.09624	2.6
151.00336	2.1
153.09135	2.2
162.06856	29.3
163.07686	1.9
177.09225	48.5
179.07152	7.5
183.14055	1.8
199.07628	1.4
209.11827	1.6
217.14360	1.7
217.44589	1.5
233.85100	1.5
269.08051	1.7
300.02817	2.3
331.24927	2.3
335.80313	1.6
401.29269	1.7
415.30786	3.4
451.01614	1.8
483.33176	2.1
485.34912	2.1
509.34930	75.0
527.36029	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3087
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15182	2.5
52.13108	2.3
55.01907	2.7
58.65237	2.1
59.01389	100.0
61.98859	10.4
69.03487	2.9
71.01393	35.4
72.99340	4.9
73.02953	27.4
77.10098	2.8
82.40051	2.3
85.02981	17.2
87.00899	6.4
89.02448	31.9
92.10176	3.7
93.03484	11.7
101.02455	45.3
103.04008	18.1
113.02491	5.5
115.03979	4.7
119.03493	14.3
119.29375	2.4
121.02952	3.1
125.02470	5.0
131.03511	5.0
134.03752	26.2
143.03455	18.7
149.02437	3.0
149.06126	6.2
151.04022	15.4
163.06136	61.1
165.05583	11.1
184.97867	2.8
205.05446	2.8
205.07262	28.0
213.05620	6.3
214.06375	24.0
225.37695	2.5
234.22321	2.7
242.05827	13.7
253.05049	3.1
257.08167	21.9
265.09372	5.8
291.19626	4.2
301.10739	5.9
437.16046	13.6
493.18750	3.2
527.28632	10.0
571.90094	3.2
587.22540	8.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.3083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40125	0.3
54.75470	0.3
54.96541	0.3
55.01879	2.5
57.03450	2.0
58.00609	2.2
59.01384	100.0
60.01226	0.3
60.50099	0.3
61.98832	2.3
62.53259	0.3
63.32075	0.3
63.80020	0.3
64.64435	0.4
69.03460	1.4
71.01382	35.1
72.99298	3.2
73.02943	19.8
74.30576	0.4
75.00883	0.5
80.53668	0.3
83.01389	5.0
85.02950	15.1
85.97637	0.3
86.00100	0.8
87.00876	7.6
87.04510	1.9
89.02441	30.5
95.01381	2.1
97.02972	0.9
99.00874	2.1
99.04556	0.4
101.02444	41.9
103.04013	11.3
103.04692	0.5
113.02445	8.2
114.10357	0.4
115.04008	5.3
119.03496	12.3
121.15878	0.3
121.47829	0.3
125.02442	3.5
127.04034	1.4
131.03494	8.0
134.03760	0.7
141.03314	0.4
143.03506	11.3
145.05072	4.4
161.04543	1.6
163.06134	44.7
179.05605	0.8
205.07199	18.5
235.08099	0.4
265.09293	6.6
325.11478	0.7
381.22986	1.9
527.21173	0.6
527.28680	12.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.23
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23657	3.3
54.82813	3.7
56.46357	3.1
59.01388	6.4
61.98852	9.1
63.91270	3.5
81.49585	3.6
82.92590	3.5
87.53120	3.7
88.30038	3.5
92.10183	7.9
106.93996	4.1
107.05026	4.2
108.02222	16.3
121.02975	5.7
125.02482	4.6
134.03737	100.0
135.04530	9.5
136.01653	26.7
137.22464	4.5
145.02957	3.9
148.01674	25.1
149.02391	8.7
149.06079	60.6
150.03265	7.6
151.04001	59.3
163.04021	40.6
165.05621	27.7
211.13356	5.3
225.05653	5.2
239.03439	6.1
269.08240	5.5
271.05948	7.5
285.07486	6.9
301.10886	45.0
315.12378	7.0
331.38870	4.7
437.15952	5.3
585.60480	4.2
587.23035	31.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2299
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	17.7
61.98832	4.4
74.97374	2.7
82.46807	2.8
94.40467	3.3
108.02184	13.8
121.02924	3.6
121.07272	3.5
134.03748	100.0
135.04529	15.4
136.01633	25.0
137.04492	3.2
148.01709	29.9
149.02463	7.0
149.06090	61.9
150.03233	17.9
151.04002	86.8
163.04036	50.0
165.05560	38.1
177.94125	3.0
180.41449	3.1
243.88884	3.2
299.09348	4.0
301.10895	38.8
393.00015	3.5
587.22845	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	587.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17547	0.4
57.03459	7.3
59.01388	5.7
61.98838	0.9
65.00333	10.2
67.88463	0.5
73.02956	1.0
74.42896	0.4
79.05530	0.5
81.03453	7.9
81.03862	0.5
83.01388	24.2
83.31248	0.5
92.10040	1.0
95.05043	0.9
107.01388	12.6
108.02179	1.1
111.55447	0.5
123.00932	0.7
123.04523	45.7
125.02445	36.1
134.03743	22.9
134.04533	0.5
135.04510	1.3
135.08167	0.9
137.06097	0.8
143.05098	0.6
149.06091	12.3
150.99156	1.1
151.00380	29.1
162.06824	3.5
165.01924	0.9
167.03502	100.0
169.01405	0.6
177.01929	2.7
177.09236	4.1
179.07133	0.6
197.06134	1.0
199.04024	1.3
202.11501	0.6
210.03058	0.6
211.03984	0.8
211.07741	0.6
224.04829	4.8
225.05547	8.5
226.02803	1.2
230.02092	0.9
239.03551	2.5
241.05037	2.3
242.02251	0.7
243.02950	3.1
251.03423	0.8
252.04297	1.0
253.05093	7.5
254.02232	2.7
254.05797	3.4
255.03046	2.8
255.06729	1.2
257.04599	2.6
259.06107	0.8
267.02985	3.3
267.06506	4.5
269.04620	4.3
270.05267	1.3
271.05759	0.6
284.07034	0.6
285.07739	5.6
299.09232	1.7
311.05692	3.1
417.13446	1.2
419.11508	12.6
419.16940	0.9
435.14676	2.9
461.12354	3.4
509.34897	3.7
527.36047	7.2
569.14453	0.7
587.15619	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	587.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07346	0.4
56.27414	0.4
57.03456	6.4
59.01383	5.4
61.98835	7.1
63.13478	0.5
65.00328	10.6
71.94958	0.5
81.03462	9.3
83.01391	25.9
83.01884	0.9
88.98817	1.1
95.05026	0.8
99.09584	0.5
107.01398	13.4
109.02960	0.9
123.00892	0.7
123.04528	42.5
123.81467	0.5
125.02452	35.2
127.88929	0.6
134.03746	25.9
135.08092	0.6
136.83594	0.5
137.02420	1.0
143.34047	0.4
148.01678	1.1
149.06091	11.9
151.00391	29.4
151.07762	0.5
162.06894	1.1
165.01956	1.2
167.03508	100.0
169.01482	0.7
177.01953	3.2
177.09201	2.3
179.64664	0.5
197.06116	1.2
199.03967	2.2
224.04770	3.8
225.05612	7.3
226.02821	0.9
227.03523	0.6
237.05469	1.2
239.03471	3.5
241.05098	2.6
242.02217	1.1
243.03040	2.6
252.04346	1.1
253.05074	8.5
254.02222	3.0
254.05836	3.0
255.03098	0.9
255.06679	1.2
257.04572	2.1
266.05899	0.6
267.03033	3.2
267.06546	4.7
269.04654	3.2
270.05356	0.9
273.07629	0.6
283.06073	0.8
284.06787	0.8
285.07648	5.5
299.09317	2.3
311.05579	2.0
391.08261	0.6
417.13794	0.7
419.11447	14.0
435.14731	3.8
461.12473	4.0
509.34753	2.7
527.35986	2.7
587.15961	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	587.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45945	2.7
50.54837	2.4
57.03460	3.8
59.01396	35.6
60.64050	2.9
61.98839	4.1
65.51078	2.9
71.01388	6.6
72.46066	2.5
77.30318	3.1
78.48366	2.8
85.93112	3.1
87.47591	3.1
93.03465	13.0
95.29389	3.0
100.27032	3.1
101.02431	5.4
109.02962	28.3
117.03429	3.0
119.05044	3.5
123.00900	4.4
123.04538	22.7
125.02448	97.7
133.02992	3.2
134.03752	3.8
134.64841	3.1
142.35770	3.1
145.02957	19.9
148.01717	4.9
149.02425	3.2
151.04036	14.7
159.04543	4.3
161.02458	5.3
168.00533	3.3
169.01437	100.0
177.01945	49.7
180.08818	3.3
187.04042	4.7
189.01950	48.6
190.02744	7.7
191.03514	13.1
193.01471	11.7
203.03575	4.6
216.00693	4.7
217.01472	29.9
219.03110	14.0
229.05057	5.9
231.03055	7.4
255.02843	3.8
269.08328	3.9
271.02615	4.7
271.06116	13.5
283.06082	5.0
289.07529	3.4
300.02911	6.5
323.05652	7.8
341.06711	80.3
435.10800	57.8
509.35043	6.5
527.35645	5.8
587.12238	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	587.1208
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99078	3.9
56.29015	2.9
59.01395	7.7
61.98832	6.5
69.03465	3.7
71.92793	3.7
78.17858	3.6
83.94177	3.4
89.02441	3.7
92.10800	8.0
93.03457	15.3
97.02985	4.4
109.02993	21.0
119.05083	3.3
120.17159	4.1
123.04528	23.4
125.02451	100.0
125.03312	5.8
133.02919	4.4
145.02995	24.1
149.02388	4.1
151.04045	15.6
161.02513	6.2
169.01439	89.2
177.01929	81.4
184.91277	4.0
187.04121	5.1
189.01962	83.9
190.02773	18.0
191.03540	14.5
193.01448	5.3
203.03644	7.6
216.00615	5.5
217.01468	60.4
219.03094	27.3
231.02977	17.7
257.25751	4.1
271.06232	16.4
289.07059	5.7
311.05737	8.9
323.05673	27.4
341.06693	87.0
404.35635	4.3
417.10242	5.7
435.10907	85.6
437.12982	4.9
516.11609	3.7
534.66510	4.8
587.12292	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	585.3058
Annotation	Methyl ganoderate H
Peak:m/z	Relative Intensity
53.28120	5.5
53.77105	4.7
59.01402	29.8
60.99320	5.0
63.18438	5.0
71.01385	7.7
83.52560	5.5
84.34505	5.5
116.26781	6.2
125.02444	24.5
128.91890	5.9
135.04526	6.7
151.04039	13.2
163.31758	6.6
165.05542	8.8
174.04230	6.7
199.11806	6.3
201.78281	6.0
204.86186	5.7
229.54291	5.8
358.33557	6.7
445.10037	7.4
478.35083	8.7
549.33038	31.5
585.30585	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	585.5104
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	0.6
79.90870	0.4
96.37222	0.4
117.13457	0.4
127.40414	0.4
159.05342	0.4
168.72052	0.4
174.07306	0.4
255.23341	100.0
256.23538	0.5
282.17923	0.4
411.41162	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1204
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24672	0.7
59.01381	5.2
61.98842	1.4
65.00323	0.9
67.01859	0.8
69.03450	3.5
71.24067	0.8
83.01394	0.9
85.02950	0.9
86.47742	0.9
88.98798	0.8
89.03952	1.5
90.26555	0.8
91.01922	0.9
93.03457	18.5
95.01363	1.8
96.95934	1.0
97.02943	1.7
108.02208	1.2
109.02956	27.4
117.03466	2.2
119.05004	3.7
121.02920	1.7
123.00866	4.5
123.04508	21.3
125.02439	84.3
133.02940	6.6
134.03636	1.0
135.04546	1.2
137.02434	2.0
145.02980	21.3
147.04506	4.5
148.01692	2.1
149.02393	1.5
150.03230	1.5
151.04022	12.8
159.04514	3.8
161.02480	1.6
163.04066	1.7
166.99748	1.9
169.01428	97.1
176.01190	0.9
176.22050	0.9
177.01929	80.4
178.46895	0.9
184.45370	0.9
187.04045	5.5
189.01942	70.7
190.02736	16.5
191.03482	13.3
193.01430	7.7
201.01947	5.1
203.03555	8.2
209.06030	1.5
216.00705	11.3
217.01436	52.0
218.02206	1.9
219.03009	22.3
227.07249	1.5
229.05064	5.8
231.03027	15.6
232.03746	0.9
233.04523	1.5
241.04997	6.3
243.06653	1.1
269.04654	2.1
269.08209	3.7
271.06177	16.6
275.05569	1.2
281.04559	2.2
283.06146	7.5
289.07135	4.2
295.06229	0.9
297.07758	2.1
311.05673	8.8
323.05643	27.2
341.06717	100.0
417.09891	11.3
435.10889	79.2
477.08304	4.6
587.12054	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2355
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	4.5
61.98828	1.4
63.20020	0.9
76.58074	1.1
82.79922	0.9
88.98812	4.1
93.03479	2.3
117.86378	0.9
121.02978	5.8
122.03743	11.1
125.02457	3.9
135.04549	1.2
136.01692	1.2
137.02438	1.0
149.02469	36.9
150.03239	100.0
151.00398	1.1
151.03944	1.5
152.01137	1.0
160.01634	1.2
161.02390	1.0
164.04764	6.9
165.05585	76.5
180.04289	5.7
190.89098	0.9
195.06650	31.7
229.90985	1.1
259.06226	2.1
270.09070	1.4
283.09808	1.2
285.11340	1.9
297.95212	0.9
298.08511	1.4
299.09323	1.6
314.07822	1.7
327.12302	1.9
328.13168	9.6
329.10370	6.7
341.10403	7.5
343.15594	1.9
344.12589	7.1
356.12668	4.2
359.15079	16.8
371.15158	11.8
387.14053	1.0
507.20374	6.2
537.13092	1.4
537.21405	36.6
585.23193	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	585.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24965	1.6
59.01388	8.5
60.54037	1.6
61.98832	3.1
64.51376	1.5
65.00345	2.1
75.88450	1.6
93.03456	100.0
108.02195	11.5
121.02983	11.8
122.03767	3.1
123.04527	10.1
132.52301	2.0
133.02971	2.4
134.03802	14.4
136.01624	2.4
137.02426	2.2
139.04030	2.0
143.70354	2.0
145.02892	2.8
149.02469	7.3
149.06110	3.4
150.03233	9.7
151.00409	8.5
155.11140	1.7
157.07892	1.8
161.02496	3.0
164.01155	2.4
165.05620	10.3
175.03952	2.6
179.03545	1.9
188.01187	3.1
189.01840	2.3
225.03442	1.8
225.05673	3.6
240.04146	2.5
253.05081	16.3
254.05783	7.5
255.06779	3.1
265.05035	2.7
266.05722	2.1
267.06696	3.6
268.03867	3.7
268.07434	3.0
281.04572	8.4
283.06082	7.5
296.06845	2.4
297.07556	7.2
309.04153	7.3
311.09286	12.8
312.09894	2.6
317.10501	2.7
324.06381	2.5
339.08823	17.6
355.12244	2.9
357.07834	2.0
385.07266	3.6
394.19824	1.9
401.10110	2.3
405.13434	2.4
419.15027	4.2
461.12421	3.0
476.14203	2.4
491.17172	72.7
567.20496	8.6
585.21155	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	585.2199
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.3
59.01382	20.5
59.27196	0.7
62.63968	0.7
64.34923	1.0
71.01392	4.9
73.02935	1.1
83.01398	1.5
85.02961	4.3
95.01373	1.7
96.35685	0.9
101.02463	1.3
108.02181	86.4
108.39650	0.8
109.02959	67.2
109.60931	0.9
113.02457	1.2
121.02961	1.0
123.00890	2.2
123.04516	3.4
125.02416	6.3
135.04486	1.4
151.04022	1.9
152.01161	98.0
153.00668	1.5
153.01944	42.6
163.04037	1.3
165.01875	2.1
169.01392	1.7
172.62076	0.9
173.78369	0.9
179.03421	1.0
209.11809	2.0
227.12917	4.9
294.20410	1.3
315.07257	9.6
357.08322	8.0
525.19946	1.2
541.23334	2.8
567.21106	4.6
584.74908	1.4
585.22040	100.0
586.22540	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	585.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
57.05433	6.2
58.91144	5.6
59.01394	14.9
61.98837	15.3
65.00361	8.1
80.57159	6.0
93.03437	44.9
108.02200	31.7
119.05022	27.3
123.04506	30.6
125.02442	25.3
134.03754	88.0
135.04535	14.5
136.01718	6.0
148.01643	8.2
149.06099	39.5
151.00397	8.9
151.04033	10.8
154.76163	7.5
165.05597	14.3
171.04420	8.5
175.00493	10.4
177.01950	27.3
189.59647	6.4
195.04610	8.5
195.06657	47.4
211.04004	6.9
214.50758	7.4
225.05569	7.4
227.03397	7.2
233.53256	7.1
241.05104	51.1
253.04987	6.9
255.02916	27.6
267.03049	25.2
268.03720	12.8
269.04596	95.5
281.04510	9.8
297.03757	7.8
299.09436	11.1
301.10995	67.4
311.05740	25.7
435.13898	10.3
450.66492	7.4
463.14020	15.8
525.15558	10.5
557.18152	46.4
585.18079	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	585.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16509	2.8
54.82888	3.9
57.43016	3.2
59.01403	19.6
60.07137	3.2
61.98843	15.6
75.35115	4.0
76.61638	3.3
80.80130	3.5
93.03484	29.9
101.02555	4.6
108.02193	4.8
109.02928	14.6
113.02328	3.5
116.71803	3.4
119.05038	29.5
121.02962	21.2
123.04541	28.4
125.02371	4.0
133.02942	28.9
134.03709	14.0
135.04533	53.6
138.49336	3.6
138.50441	3.8
147.04556	5.7
149.06099	33.4
159.04524	21.8
165.05524	6.2
197.06177	4.3
209.09743	5.6
239.07178	73.4
243.06450	4.3
251.07144	5.5
253.04916	7.8
253.08759	61.0
255.03017	19.9
256.03906	4.5
265.08652	8.6
267.06677	22.9
269.08197	22.3
281.08337	4.2
283.02585	5.4
283.09781	59.3
341.81927	4.1
389.14026	100.0
390.14697	4.2
447.34305	4.3
457.48938	3.6
470.51208	4.1
525.19287	71.5
543.71619	3.8
551.30042	4.5
586.79047	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53000	2.0
59.01387	16.8
61.98842	3.1
65.96256	1.6
69.87740	1.6
71.01395	2.7
72.99308	3.2
77.88203	1.8
83.42374	2.1
84.68427	1.8
85.70971	2.0
90.92144	1.6
93.03466	14.2
107.05039	3.9
108.02195	8.3
109.02967	18.6
117.03451	2.2
119.05018	24.6
121.02980	13.6
123.04509	25.5
132.02174	2.6
133.02942	19.9
134.03754	9.7
135.04526	47.6
137.06143	2.8
143.04999	2.5
147.04547	8.8
149.02438	2.3
149.06120	23.3
159.04524	24.3
165.05557	3.3
171.04448	1.9
175.33849	2.0
189.05672	3.1
195.08153	2.9
197.06166	2.3
238.06618	2.4
239.07173	69.3
249.05675	3.7
251.07086	7.7
253.05090	11.8
253.08745	53.0
265.05029	4.4
265.08752	9.3
267.06638	24.6
268.07352	2.6
269.08200	19.9
271.02432	3.7
281.08252	3.9
283.09796	57.4
295.09918	2.8
299.02280	2.8
318.10059	2.4
319.52765	2.2
328.13525	2.1
389.13992	100.0
525.19110	48.7
525.34540	2.4
551.92511	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	585.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83043	0.5
58.91314	0.7
59.01386	3.7
61.98841	1.6
65.00336	0.8
71.01377	0.8
76.40884	0.8
81.07137	0.7
83.01385	0.7
93.07093	0.7
103.68836	0.6
107.01408	1.5
108.02208	1.3
109.02978	0.7
113.61813	0.6
117.36086	0.7
121.02959	1.0
125.02451	1.4
125.06103	1.1
148.01639	1.4
151.00381	9.2
155.07132	7.0
161.02431	1.0
163.00394	2.5
164.01115	1.1
169.01448	0.9
175.03978	0.7
178.99866	3.6
182.01176	0.7
187.21638	0.7
190.02763	1.0
199.04042	2.9
203.03424	0.7
211.03995	1.0
215.03488	0.9
215.60899	0.8
226.02771	1.3
227.03561	4.5
243.03030	14.5
254.02289	3.2
255.03026	35.5
271.02518	77.6
272.03195	3.2
287.24283	0.7
291.94754	0.7
299.01984	13.0
300.02798	100.0
301.03574	16.5
317.10367	1.2
369.09409	0.9
429.08078	3.1
447.09360	4.2
525.33978	1.0
555.15198	4.5
564.97510	0.7
567.15076	24.5
585.16284	34.7
585.25452	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	585.147
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97578	0.7
53.20649	0.7
56.63333	0.7
62.00979	0.7
64.35332	0.8
71.01402	0.8
75.10643	0.8
81.32688	1.1
87.00878	19.1
96.95990	6.6
113.70566	0.8
115.00385	1.0
121.03023	1.1
122.03712	1.9
123.04537	100.0
126.91439	0.8
135.04605	0.8
140.88626	1.0
149.06099	24.6
150.03242	4.7
151.04051	1.5
165.05595	17.9
175.03995	1.4
193.05069	15.0
195.03024	20.0
219.02954	1.2
255.05153	84.1
255.59526	0.9
303.47360	1.0
420.82822	1.1
612.47430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	4.3
61.98834	1.1
63.02415	0.9
63.27627	0.5
63.40309	0.5
69.51875	0.5
71.01370	0.6
77.55573	0.5
83.01402	2.6
91.73949	0.6
92.10107	1.8
107.01404	12.7
108.02180	2.2
123.04539	0.7
124.01630	0.6
125.02463	2.5
133.02994	0.7
134.03755	17.9
135.04521	1.1
149.02473	0.8
149.06105	6.6
150.03233	0.8
150.99159	1.0
151.00389	28.6
151.03946	0.8
161.02481	1.1
165.05597	0.9
176.01183	2.3
183.04565	0.9
184.12802	0.6
189.02066	1.0
190.54419	0.6
193.01404	1.4
199.04095	0.7
211.04001	1.4
213.05603	1.0
214.02794	0.7
223.04065	0.8
227.03444	1.1
238.02698	1.1
239.03535	5.5
241.05042	0.7
243.03143	0.9
249.44511	0.7
251.03506	19.8
253.05055	1.4
255.03029	15.4
256.03738	3.5
257.04602	1.4
261.05707	0.8
265.05118	3.1
269.04568	1.1
277.05026	0.7
281.04681	5.1
283.02585	8.1
283.05640	1.4
284.03400	5.7
285.04114	1.3
295.02371	1.2
295.05969	0.7
296.03323	1.4
297.03912	2.2
305.04593	2.8
307.02765	0.8
317.04498	1.1
319.06024	0.8
321.04282	2.1
322.04916	1.4
323.05563	5.2
325.03503	2.2
333.04202	1.0
335.05743	2.7
347.05634	2.6
358.41287	0.8
359.05533	1.1
363.05060	0.7
375.05240	0.8
390.03882	8.9
391.04630	30.1
403.04657	45.6
405.06195	3.1
415.04382	1.2
417.06219	8.3
421.05856	0.8
423.07462	3.0
429.06052	0.9
431.08173	0.7
435.07254	5.6
447.07425	2.7
449.08713	0.9
520.62323	0.7
542.04980	0.7
553.11578	7.8
585.14154	100.0
586.14685	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1412
Annotation	Protosappanin E-2
Peak:m/z	Relative Intensity
53.62750	0.8
58.40354	0.8
59.01392	5.5
61.98838	1.4
65.00342	4.9
79.72946	1.0
83.01407	3.6
88.83920	0.9
92.10891	2.0
94.90703	0.9
107.01417	11.1
108.02194	0.9
108.50267	0.9
125.02445	4.7
128.46054	1.1
134.03754	17.0
136.01653	1.3
144.16435	1.0
149.06096	5.1
151.00392	26.3
151.04016	1.8
165.05583	1.2
167.39149	1.0
176.01170	1.5
186.78287	1.1
223.03929	1.1
227.03371	1.1
231.08138	1.1
237.05602	1.1
238.02705	1.2
239.03568	4.8
249.05750	1.1
251.03514	19.3
251.30623	1.2
255.03000	14.0
256.03760	4.3
257.04626	2.2
269.04626	1.4
281.04691	3.6
283.02545	7.8
284.03436	6.7
293.04672	1.3
295.02698	1.3
296.03467	1.2
301.05109	1.2
305.04730	1.2
321.04312	1.0
323.05692	3.7
335.05688	4.9
359.05557	1.5
375.05032	2.1
390.03760	6.5
391.04666	27.5
403.04712	38.4
405.06100	1.6
417.06195	9.5
423.07465	1.1
433.05643	1.5
435.07214	6.2
447.06293	1.0
507.33698	2.0
525.34467	2.1
553.11279	8.2
585.14160	100.0
586.14819	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	585.1411
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86004	0.6
56.19566	0.6
59.01392	2.8
61.14238	0.6
61.72499	0.6
61.98844	1.7
63.02406	5.0
65.00330	29.5
80.47252	0.6
83.01391	13.3
89.37466	0.6
89.47620	0.7
103.76547	0.6
107.01398	44.1
109.61574	0.7
123.04494	1.0
125.02431	4.9
134.03751	44.0
135.04518	3.4
136.21466	0.6
137.02458	0.8
140.65164	0.7
146.87915	0.7
149.06093	19.7
151.00381	100.0
152.00806	0.7
163.00391	6.3
168.42599	0.7
169.01358	1.7
193.01462	1.3
225.05617	1.1
227.03491	3.1
228.25510	0.7
239.03529	1.1
240.04236	1.3
241.05165	1.3
242.02219	1.0
252.04317	1.7
253.01572	2.6
253.05159	3.7
255.03021	1.5
256.03799	5.2
257.04617	4.0
267.03149	0.9
268.03815	16.1
269.04553	5.5
270.05450	1.4
271.06180	4.7
280.03818	3.6
281.04639	8.9
282.01660	0.8
282.05435	3.0
283.02600	3.1
283.06201	15.6
284.03238	2.6
285.03940	1.4
295.06271	1.0
296.03293	0.8
297.07733	3.0
309.04105	1.3
403.04617	3.0
417.06161	1.0
433.13266	3.2
435.07172	5.0
437.08939	1.0
445.97733	0.8
447.07547	0.9
449.08987	1.2
449.29529	0.8
525.34656	1.0
585.14203	69.9
586.14545	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50777	0.2
51.25296	0.2
54.09693	0.2
54.36447	0.2
55.01868	0.2
57.03450	0.3
59.01390	2.7
61.01814	0.2
61.98834	100.0
63.00978	0.2
67.98528	0.2
71.01382	1.3
76.32932	0.2
76.80282	0.2
83.01405	0.2
85.02960	0.3
99.97630	0.2
101.02454	0.3
109.03006	0.5
110.03254	0.2
113.02431	0.5
123.04520	0.3
125.02454	3.7
135.04463	0.2
140.67854	0.2
143.56017	0.2
151.04010	0.4
161.02533	0.3
169.01422	0.5
289.07120	0.3
360.15372	0.5
361.15579	0.5
362.15628	0.5
436.49683	0.3
457.82248	0.3
522.20355	0.5
523.20746	2.0
524.21216	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	585.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76476	1.5
52.86810	1.7
59.01387	14.3
60.05424	1.9
63.02418	2.6
65.00321	18.9
77.63942	1.8
83.01390	14.8
83.54813	1.9
100.51003	1.9
107.01400	32.7
108.02191	2.7
112.88809	1.8
119.16055	2.0
125.02458	19.5
134.03749	45.7
135.04538	3.3
149.02496	3.0
149.06111	14.6
151.00383	87.6
151.07767	2.3
162.06985	2.9
163.00323	2.2
173.02457	10.0
175.03990	3.6
187.03946	3.2
206.02628	2.2
211.04103	7.6
213.05582	4.6
215.03516	28.0
227.03502	5.0
229.04993	2.9
237.05501	2.9
238.02708	2.8
239.03540	15.8
241.05328	2.0
251.03540	14.8
253.05099	3.4
255.03015	18.5
256.03790	4.1
281.04581	10.0
283.02487	33.0
284.03223	9.1
296.03357	3.8
297.04147	11.3
305.04733	3.0
321.04053	3.7
323.05573	11.2
325.03592	100.0
347.05713	4.6
349.03540	9.1
367.04565	8.2
390.03693	8.8
391.04697	31.8
403.04721	30.7
409.05713	2.5
417.06311	8.4
423.07452	2.8
433.09369	10.1
525.34094	3.3
553.11523	10.4
585.11499	81.4
586.12006	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	585.141
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.0
59.01405	2.1
61.98851	1.9
63.02413	4.4
65.00335	29.4
67.66908	0.7
73.76588	0.9
74.41610	0.9
80.74559	0.8
81.12675	0.8
83.01395	13.8
92.10781	2.0
93.03475	1.7
107.01399	46.0
108.02198	3.7
123.04530	1.2
125.02467	7.2
134.03749	38.1
135.00848	1.5
135.04529	4.9
149.06099	16.5
151.00378	100.0
157.06554	1.0
159.04482	0.9
161.02504	1.3
163.00389	6.1
167.04929	0.9
168.00758	0.9
169.01472	3.6
169.06557	0.9
171.04489	0.9
185.06126	1.5
187.04073	1.6
192.76514	0.9
193.01369	1.4
198.03394	0.9
211.03983	1.5
213.05505	0.9
215.03499	1.4
227.03528	3.7
239.03529	3.5
241.05197	1.0
242.02237	1.0
251.03546	2.0
252.04330	1.2
253.01434	1.0
253.05109	2.1
255.02975	7.0
256.03720	12.8
257.04575	5.2
268.03815	16.2
269.04532	6.8
270.05316	1.2
271.03040	1.0
271.06149	5.6
280.03799	1.3
281.04575	9.6
282.05350	4.5
283.02783	1.8
283.06082	16.4
284.03290	17.9
285.04056	73.7
295.06161	1.7
297.04257	1.2
297.07669	1.7
299.05646	8.2
323.05719	1.2
341.42233	1.0
363.05124	0.9
369.64221	1.3
386.11588	0.9
390.03967	1.3
391.04584	6.9
403.04510	12.1
418.10773	1.4
432.89743	1.0
433.13217	4.8
435.07358	6.1
436.97687	1.2
447.07285	1.5
449.09003	1.4
525.34833	1.2
547.35608	1.1
553.11371	2.2
585.14166	79.0
586.14203	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39347	0.2
59.01389	0.3
61.98835	100.0
69.76820	0.2
80.47913	0.2
87.94164	0.2
134.74799	0.2
180.30820	0.2
203.06712	0.2
209.91214	0.2
239.03372	0.2
257.54703	0.2
268.03677	0.2
269.04510	0.3
303.97806	0.2
425.89270	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50449	0.2
61.98838	100.0
65.98032	0.2
69.78836	0.2
71.11739	0.2
79.28094	0.2
91.82458	0.2
92.10815	0.2
94.16189	0.2
119.05025	0.3
123.47642	0.2
159.20261	0.2
287.58295	0.2
524.20715	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	584.1936
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70748	0.5
61.98841	100.0
66.67723	0.5
110.61751	0.6
119.05043	3.1
300.25879	0.6
524.20752	0.9
563.01990	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21233	0.6
53.38744	0.7
57.03453	0.9
57.52156	0.6
59.01392	2.9
71.01375	0.8
76.58456	0.8
79.95763	1.2
87.00883	1.1
88.04045	2.8
89.02438	1.7
96.96004	4.2
107.05036	4.2
109.02988	1.2
113.39592	0.6
119.05029	23.8
123.04559	0.8
125.02493	7.3
130.08731	3.0
132.03030	2.5
133.02969	3.2
134.06097	4.5
135.04527	100.0
151.04015	2.9
152.04152	0.7
161.02466	20.5
163.04021	20.3
172.09770	3.0
172.38287	0.8
177.01892	0.8
178.05037	1.1
180.06618	1.2
206.04608	34.1
214.01842	2.8
217.05197	0.8
238.49146	0.8
250.07172	0.9
289.07141	1.0
297.09821	0.9
298.10889	7.8
308.79831	0.6
323.07693	1.2
342.09793	8.5
422.05493	3.4
504.15247	7.5
584.10883	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.5
61.98837	1.9
71.01383	0.9
97.75089	1.1
107.50104	1.1
108.02197	2.4
134.03755	75.0
135.04495	5.0
136.01688	1.4
149.02362	1.4
149.06094	24.7
151.03996	5.3
151.62305	1.0
175.03964	1.1
185.05998	1.8
187.04080	1.4
194.91507	0.9
195.13907	1.3
199.03828	1.2
211.04066	1.7
212.04755	1.4
213.05603	2.2
214.02699	4.1
215.03577	12.2
225.05589	1.4
227.03465	2.0
228.04340	1.2
229.05052	4.4
234.14594	0.9
239.03555	7.1
240.04230	9.9
241.05118	2.2
242.02319	5.0
243.02992	21.8
243.06615	1.2
253.09142	5.6
255.03088	1.8
256.03793	5.0
257.04565	15.4
258.05328	17.2
267.06653	1.8
270.05383	2.2
271.06033	9.1
272.03494	1.4
272.06769	1.6
291.19650	18.3
292.20038	1.9
347.09326	2.1
357.07886	1.7
361.11047	1.1
385.07224	4.3
386.07941	1.9
390.11142	2.2
401.10416	17.6
415.12039	1.3
429.09897	1.9
433.13046	100.0
434.13391	1.4
435.14432	1.8
447.14487	22.3
583.19855	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	583.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
58.01477	1.3
59.01383	1.6
63.46862	1.4
72.65111	1.5
73.76569	1.5
76.58488	1.7
76.76469	1.3
99.73758	1.6
108.02136	2.9
134.03751	75.9
135.04491	7.4
135.94189	1.3
137.02428	1.5
149.06100	23.4
149.74808	1.3
151.04031	3.6
171.04547	2.0
185.06165	2.1
191.65205	1.6
201.05666	1.5
203.37428	1.7
211.03976	1.6
212.05020	1.7
213.05710	2.5
214.02982	2.4
215.03418	10.5
229.05054	6.0
239.03542	6.1
240.04347	9.1
241.05061	1.9
242.02184	1.9
243.02974	23.7
255.03215	1.8
256.03979	2.9
257.04620	16.3
258.05338	13.8
271.06177	9.6
275.83133	1.6
291.19620	1.7
349.11069	1.9
385.07239	2.5
386.07834	1.8
387.08890	1.5
390.11508	2.6
399.09091	1.5
401.10571	11.5
415.12109	2.2
432.12054	2.3
433.13016	100.0
435.14310	1.9
447.14581	27.5
583.20154	33.8
613.07996	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	583.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.8
57.03465	4.4
58.00611	0.8
59.01390	34.9
59.52087	0.9
60.99324	1.1
61.98835	1.3
63.02431	1.0
65.00340	1.0
67.17085	0.8
69.03476	1.6
69.18414	0.7
71.01398	22.4
72.99326	1.9
73.02969	5.5
81.03481	1.3
83.01413	7.7
85.02966	11.7
87.00906	5.2
89.02460	5.3
93.03465	1.6
95.01378	2.3
96.96036	2.2
97.02973	1.5
99.00875	1.5
99.08145	1.3
101.02459	11.0
107.01399	4.5
109.02972	1.3
111.00858	1.2
113.02461	6.1
117.03495	1.1
121.02960	4.5
123.00900	3.7
123.04510	8.5
124.01672	2.1
124.89632	1.0
125.02450	25.5
126.02894	1.2
133.02966	1.3
134.03864	1.0
135.00890	1.0
135.04532	1.1
137.02448	1.5
141.12874	1.4
143.03458	0.9
143.05037	1.5
149.99680	1.4
151.00417	12.8
157.06628	1.4
159.03122	1.0
159.04442	1.9
163.00464	3.2
165.01994	1.2
167.03496	19.5
168.00693	2.1
169.01425	5.4
178.99835	5.2
179.03612	1.1
185.06102	4.2
187.04018	5.5
189.05577	1.2
195.04485	1.0
211.04124	1.5
213.05676	1.4
227.03413	2.2
229.05087	16.4
232.86607	1.1
239.03549	1.3
255.02960	3.6
256.03717	1.3
257.04590	8.1
269.21219	4.8
285.04095	74.7
285.20706	1.1
286.04419	3.9
287.22321	57.1
297.06046	1.9
301.03568	18.1
350.22980	1.0
361.29578	2.1
363.27014	1.1
368.19888	1.1
385.12891	11.3
431.26556	76.9
449.27637	100.0
523.35046	14.5
583.10992	4.4
583.29431	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	583.04
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	1.3
60.98874	0.2
65.00309	0.3
71.01405	0.3
73.02931	0.3
99.92587	7.8
107.01358	0.3
116.92865	100.0
117.01978	0.2
117.92845	1.0
126.33717	0.2
126.86713	0.2
131.07141	0.4
151.00362	2.1
152.01221	0.3
175.49101	0.2
178.99867	1.0
227.03723	0.3
227.61943	0.2
243.02856	0.2
301.03571	1.2
347.65576	0.3
397.57104	0.3
465.10571	1.1
507.23309	0.3
529.00867	0.4
547.01990	1.3
582.22662	0.4
583.23315	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.1103
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91395	0.2
57.28516	0.2
59.01393	2.9
63.02397	0.4
65.00329	0.2
65.19908	0.2
71.01394	1.8
73.02975	0.4
83.01404	1.2
85.02957	0.9
88.86543	0.2
89.02467	0.4
91.01909	0.5
93.03459	4.0
95.01368	0.3
96.95998	0.2
101.02455	0.3
102.07490	0.2
107.01393	3.6
108.02267	0.2
109.02947	1.7
110.78328	0.2
113.02426	0.3
115.85625	0.2
117.03462	1.0
119.01387	0.2
123.00897	1.4
124.01648	0.4
125.02426	1.1
131.05031	0.5
135.00890	2.2
137.02457	1.9
141.07135	0.3
143.05080	2.1
145.03014	0.4
145.06610	0.2
151.00371	2.0
153.01978	0.4
155.05026	0.3
156.05751	0.2
157.06592	2.1
159.04523	2.9
163.00377	3.3
163.60416	0.2
164.01227	0.2
165.02060	0.5
165.06255	0.2
167.04964	0.4
168.00696	0.3
168.33542	0.3
169.01453	0.8
169.06625	1.6
171.04510	1.8
173.06110	0.3
178.99878	0.4
183.04518	1.0
184.05353	0.5
185.06104	5.2
187.04030	6.7
189.05653	2.3
195.04514	1.4
197.06099	1.4
198.03226	0.3
199.04045	1.5
201.05667	1.5
202.02766	0.2
209.11847	0.4
211.04051	3.6
212.04799	0.3
213.05623	3.0
214.02702	0.5
215.03403	0.4
223.04137	0.4
227.03568	3.8
229.05089	20.0
239.03682	1.8
240.04332	1.1
241.05066	2.3
243.03008	1.3
255.03021	1.2
256.03827	1.0
257.04578	9.5
267.03003	1.3
269.21335	0.3
271.02478	2.3
285.04092	100.0
286.04404	0.9
287.02075	1.5
287.22351	4.0
297.06339	2.5
315.01624	0.4
316.02206	3.9
317.02982	1.1
317.06967	0.2
431.26605	5.9
449.27640	7.8
522.33453	0.2
523.35760	0.6
583.11188	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	583.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40300	1.0
52.85486	1.0
57.03452	1.5
59.01387	20.6
61.98834	5.3
65.51079	1.1
69.14272	1.2
71.01379	11.3
72.99321	1.2
73.02943	1.7
85.02969	5.6
87.00896	1.5
87.27655	1.4
89.02472	2.8
93.03458	1.8
101.02454	7.9
107.01373	1.6
109.02962	1.8
113.02490	1.5
124.09359	1.3
125.02482	3.1
135.00868	1.2
135.82773	1.2
151.00352	2.6
154.13449	1.3
163.00380	3.2
187.04031	3.0
189.05450	1.4
227.03522	19.2
229.05118	13.5
239.03374	1.5
240.04266	1.7
253.08765	10.8
255.03036	39.9
257.04370	9.1
265.96075	1.4
284.03311	48.3
285.04102	100.0
361.29373	2.0
390.01782	1.3
394.14349	1.6
431.09930	61.3
522.34119	4.5
523.34955	25.9
547.18329	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	583.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15152	1.2
59.01156	1.4
59.01385	13.6
61.98848	8.5
65.00319	1.7
71.01389	7.2
75.91272	1.3
80.63338	1.3
87.00852	2.1
88.98816	6.2
89.02443	2.7
95.00685	1.4
96.96057	1.6
101.02454	2.2
113.02479	1.6
117.31587	1.4
125.02438	6.2
134.03745	19.0
135.04565	2.0
137.02528	3.2
146.03769	2.9
149.06079	3.1
151.00372	2.5
161.04552	1.7
165.01912	2.6
167.03528	1.9
208.56194	1.5
209.11920	10.3
268.03729	1.4
283.13187	1.6
287.22360	6.3
292.03653	1.8
293.42377	1.8
295.02493	1.9
296.03311	8.2
304.03864	1.6
308.03323	3.6
317.04599	2.8
320.03366	10.6
321.04123	25.5
330.05432	7.6
333.04150	8.6
334.04987	2.0
345.04126	6.1
346.04895	8.8
349.03540	2.2
350.04330	7.7
357.04047	2.6
361.03473	5.8
362.04468	7.4
373.03519	2.1
374.04272	6.3
377.02274	1.9
390.03894	2.2
391.04477	2.6
417.03098	2.2
433.05719	100.0
433.11670	3.2
574.71918	2.0
583.12634	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	581.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	37.4
61.98846	70.2
62.34963	15.0
70.55472	18.1
79.84074	16.8
125.40511	16.2
163.50523	17.4
261.79788	21.9
269.04779	20.0
281.31976	17.9
309.20752	100.0
468.02515	20.0
524.21014	21.7
545.30133	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2749
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11190	15.1
53.24860	20.3
54.83057	17.7
59.01409	41.1
61.98841	77.8
90.27466	17.1
110.72045	19.5
159.63795	17.6
209.11798	19.4
309.20697	100.0
525.80194	21.0
545.30487	67.8
554.63538	21.4
581.28046	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	581.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64732	0.7
56.12424	0.6
58.00614	1.1
58.34137	0.7
59.01385	62.6
61.98847	1.8
62.20158	0.7
69.03471	0.9
71.01382	12.2
71.05016	8.2
71.61003	0.8
72.99324	0.9
73.02952	15.3
73.03300	0.9
77.08527	0.7
83.01402	1.1
85.02956	15.0
86.00145	0.9
87.00900	5.2
87.04548	0.9
89.02445	7.5
101.02428	14.4
103.04041	4.7
109.84265	0.8
113.02447	1.0
115.04018	3.3
119.03515	1.6
125.02462	5.5
127.11290	46.1
131.03505	3.7
139.11194	0.9
141.58942	0.8
143.03525	4.0
149.00903	1.3
153.12865	1.4
163.06136	16.7
165.68239	0.9
169.15994	3.5
190.20528	0.8
195.13924	17.9
205.07188	6.5
213.14999	100.0
243.08548	0.9
267.38925	0.9
293.09247	0.9
304.19406	1.0
307.10358	1.1
366.25885	0.8
396.06116	0.9
521.25842	1.5
591.81201	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.4558
Annotation	Unknow
Peak:m/z	Relative Intensity
60.07001	1.6
70.07328	1.8
71.85511	1.6
141.67877	1.9
155.95180	1.9
175.04517	2.2
185.39606	2.0
199.96805	2.1
279.20306	3.6
279.23334	100.0
309.07736	2.0
581.37164	3.6
581.45715	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	582.3784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87077	1.5
56.62764	1.4
59.01392	16.7
60.29008	1.3
66.31772	1.5
78.95902	17.2
106.01682	1.8
106.30405	1.8
118.80193	1.8
129.42531	1.5
129.85938	1.5
135.55765	1.8
137.95868	1.9
199.52994	1.6
203.80986	1.6
224.06967	3.7
283.26468	100.0
459.81924	2.1
508.34161	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88580	0.4
59.01405	2.2
71.01392	0.7
86.79176	0.5
89.02431	0.6
92.10168	0.7
109.02975	0.7
113.08094	0.5
119.05058	0.5
124.01659	1.4
125.02431	2.2
135.04568	0.9
137.02486	1.0
139.04022	3.5
153.05565	1.1
153.09239	0.7
161.74176	0.7
165.01920	0.8
165.91837	0.6
170.35686	0.6
174.03250	0.7
175.04028	2.3
177.02119	0.7
189.05580	1.2
204.04410	0.7
206.05835	0.8
207.06610	0.8
221.08293	2.5
241.04939	0.6
252.45428	0.6
255.06812	0.9
257.08197	2.0
281.04593	0.8
295.06226	0.7
298.04745	0.7
299.05444	0.8
301.07257	2.4
308.13809	0.5
312.06287	0.8
313.07245	9.9
326.08093	0.8
327.08658	8.1
328.09357	0.8
329.06702	5.1
329.10443	2.4
343.08313	7.4
343.11957	1.8
344.09103	14.2
344.12677	1.8
358.10635	30.3
359.11404	43.1
359.15149	3.1
359.56311	0.6
373.12994	48.4
389.12512	18.0
404.14844	24.6
419.17215	100.0
428.51611	0.6
585.89795	0.7
590.51831	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83130	0.3
55.01873	0.6
56.62275	0.3
57.42725	0.3
58.00610	0.7
59.01391	32.0
70.69945	0.3
71.01392	19.2
71.01775	0.7
72.99319	0.9
73.02968	0.5
83.01402	0.7
85.02965	4.1
87.00906	1.7
89.02450	21.6
95.01395	0.8
101.02446	9.2
113.02460	7.5
113.13786	0.4
119.03503	9.3
119.04995	0.7
125.02438	1.4
131.03467	0.6
132.95595	0.3
141.07167	0.6
143.03500	0.6
143.05054	5.5
145.02972	0.8
149.04611	0.6
151.00366	0.9
151.04031	3.1
157.06598	1.7
159.08194	2.2
161.04564	1.7
169.01472	0.4
179.05634	6.5
181.06602	0.4
182.07404	0.6
183.08185	3.4
185.04457	0.5
185.06094	13.5
224.04861	0.5
224.57677	0.4
225.05611	0.5
227.07169	100.0
228.07509	1.5
238.06206	0.4
241.08788	0.6
252.04362	0.4
254.09065	0.4
255.10246	2.7
266.05936	0.5
269.11908	0.9
270.12469	0.5
282.08929	0.4
283.09790	12.8
285.03836	0.4
295.09787	2.1
296.10571	0.7
298.12131	1.5
310.11981	0.6
311.09305	29.2
325.11017	3.0
326.11627	17.4
341.13947	17.9
389.12393	2.4
402.85934	0.4
521.16742	23.1
521.33362	0.9
522.17218	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2247
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.5
57.59008	0.4
59.01393	100.0
65.00021	0.4
65.00328	3.6
71.01399	0.7
77.38647	0.4
83.01402	1.6
86.81690	0.4
87.00890	0.6
92.10738	0.8
99.92556	3.7
101.02473	0.8
107.01397	4.7
109.02973	0.7
109.86420	0.4
116.92863	38.4
117.92919	0.9
121.02927	3.2
123.04494	2.0
124.01624	0.6
125.02444	8.0
133.02943	0.6
135.04538	0.8
147.04536	1.0
150.03259	2.9
151.00383	18.2
151.04037	6.8
152.01210	3.8
153.01961	0.9
159.04536	0.8
160.05342	0.6
163.04002	0.7
168.73259	0.4
175.03975	2.5
175.07616	0.5
176.01128	0.8
177.01953	0.6
178.99876	4.8
189.05640	0.8
190.06407	0.7
191.07106	0.4
193.05096	0.6
199.03993	0.6
205.08762	0.9
208.07462	0.5
217.04997	0.7
236.27760	0.4
240.04225	0.6
241.05110	0.8
252.28329	0.4
255.10283	1.7
259.06052	0.6
263.07135	0.4
269.05597	0.8
269.08224	13.7
277.83075	0.4
281.08148	2.2
283.09775	5.6
285.00909	0.4
285.04062	12.7
298.12021	0.5
299.09293	8.8
300.02637	1.0
303.05170	2.6
309.11148	0.6
311.09338	12.4
314.07956	0.8
314.11646	19.5
325.10760	1.9
326.11673	11.7
329.14005	56.0
341.14020	25.2
341.18198	1.0
359.15222	1.4
389.16257	4.9
449.11032	9.4
537.95306	0.5
581.11365	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	581.1734
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34710	0.4
54.42804	0.4
54.74405	0.4
54.82862	0.4
59.01385	26.5
71.01379	7.3
72.99337	0.4
77.06557	0.5
81.75764	0.5
83.01416	0.7
83.10996	0.4
85.02968	2.3
87.00900	0.7
88.60069	0.4
89.02448	4.4
92.10115	0.5
95.01393	2.0
96.96056	1.0
97.02939	0.5
99.00918	0.5
101.02435	4.4
106.97486	0.4
109.02962	0.5
111.50397	0.4
113.02423	3.6
115.23051	0.4
116.92919	0.6
119.03499	1.1
121.02978	1.1
123.00873	24.2
125.02403	0.5
137.02429	4.7
138.03226	50.7
139.04005	0.5
153.04424	1.0
153.05586	21.3
155.03593	0.7
165.05653	0.5
166.99872	12.2
181.01384	6.1
182.02226	50.5
188.17416	0.4
196.03854	3.6
197.04576	100.0
211.06180	1.1
224.03253	4.3
239.05638	18.9
269.06705	1.0
299.07819	1.8
359.09906	56.6
360.10068	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14195	0.6
51.74738	0.5
54.07187	0.6
55.01885	3.4
56.13304	0.6
57.03456	3.7
59.01390	10.2
69.03471	0.8
71.01386	54.1
73.02945	17.8
75.00875	0.8
80.13429	0.7
83.01381	7.6
85.02956	31.5
87.00878	1.8
89.02470	2.9
92.95522	0.9
93.03436	1.3
95.01391	4.7
96.88462	0.7
96.96013	3.6
97.02972	1.4
99.00886	6.0
99.04546	3.5
101.02440	26.3
104.62280	0.7
108.02179	21.5
109.02965	12.8
111.00871	1.7
113.02457	19.8
122.03746	26.6
123.04523	100.0
137.02486	6.3
140.01140	0.8
143.03485	1.7
144.03032	1.2
152.01170	8.7
153.01981	1.3
159.02975	3.7
161.04561	37.8
163.04053	0.8
165.05577	1.3
167.03458	3.1
191.07913	0.8
224.42595	0.8
285.09839	3.9
292.25174	0.9
315.07410	11.8
329.08856	49.1
470.61929	0.8
500.23569	0.8
509.78342	0.9
590.87781	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2248
Annotation	Alangilignoside C
Peak:m/z	Relative Intensity
54.62589	0.8
55.01897	3.7
57.03453	2.2
58.00617	1.2
58.77006	0.8
59.01387	47.1
59.65594	0.8
71.01381	24.8
71.01718	1.3
72.55575	0.8
72.99309	1.1
73.02966	5.4
74.25436	0.9
83.01418	3.7
85.02966	10.8
87.00900	4.0
89.02448	11.9
95.01433	2.2
99.00894	1.4
101.02457	13.6
103.88680	0.9
111.00910	1.4
113.01797	1.0
113.02448	7.6
114.93400	7.4
116.92869	4.0
119.03501	3.6
123.00903	1.2
124.01665	6.2
125.02457	4.4
131.07140	3.9
138.03244	5.3
139.04041	4.4
151.04103	1.3
153.05615	2.0
159.04530	1.3
173.08223	1.4
174.03255	5.0
175.03992	2.2
187.04057	4.9
188.04832	2.4
189.05617	8.8
195.06671	1.1
202.06506	0.9
203.03568	1.4
203.07094	2.3
204.04454	1.2
217.05161	1.1
219.06627	5.0
220.81720	1.0
221.08241	1.6
240.18559	0.9
257.08417	3.7
267.06564	1.1
294.05658	1.1
308.43484	1.0
311.05692	1.9
313.07266	4.0
325.07224	1.6
326.08096	3.7
327.08881	4.2
340.09616	4.4
341.10391	8.0
343.12170	1.0
344.09125	1.6
353.10745	1.4
355.11899	9.9
356.12589	1.2
358.10754	6.2
359.11365	12.5
359.15152	1.3
371.11404	2.2
373.13022	21.7
386.13791	3.9
389.12598	8.3
401.15836	1.4
404.14703	10.8
405.15500	1.3
419.17233	32.8
521.20221	1.8
566.20233	4.1
581.22565	100.0
582.23431	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	581.1157
Annotation	Unknow
Peak:m/z	Relative Intensity
55.15042	0.9
57.03459	6.1
59.01387	8.9
65.00327	19.1
66.59712	0.8
68.14240	0.8
68.60055	0.8
69.40800	0.8
71.01372	1.8
72.99332	0.8
76.55710	0.7
81.03418	1.0
83.01398	13.3
87.00865	1.1
89.00705	0.8
89.02438	0.9
95.01392	0.9
101.02414	1.6
103.39555	0.8
107.01392	31.0
107.02129	1.3
109.02944	3.8
123.00871	1.1
123.04533	10.2
123.13295	0.9
124.01647	1.6
125.02440	62.9
133.02971	4.4
135.04512	1.5
137.02446	1.8
139.03998	1.1
141.41382	0.8
147.04497	1.2
149.00925	1.3
149.02444	4.8
150.03239	17.1
151.00383	100.0
151.04002	26.7
152.01169	20.7
153.01956	6.4
161.02466	1.4
161.06006	1.6
163.04105	0.9
169.01419	3.5
171.04549	1.2
174.03259	1.0
175.04030	11.4
176.01118	1.6
177.01945	13.0
178.99879	23.9
180.00652	1.1
181.01445	1.6
188.04828	1.6
189.05591	3.2
197.06125	0.9
199.04039	7.1
205.23734	0.9
213.05511	1.0
217.05060	8.8
241.05031	5.3
243.03043	1.7
256.03470	1.0
257.04510	2.0
275.05545	2.1
285.04080	75.6
297.09927	1.6
300.02661	3.0
301.03296	3.3
302.03506	6.1
303.05139	32.4
303.51511	0.9
323.07742	1.9
423.10074	1.0
449.10898	76.9
581.11206	8.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52873	0.6
59.01386	1.1
71.01393	0.9
71.06043	0.6
75.89062	0.6
87.00888	6.8
93.03481	0.8
95.38112	0.7
95.70485	0.6
96.95995	1.3
106.04261	2.5
107.05040	19.0
108.02195	1.1
121.02960	3.6
133.02901	0.7
133.06615	8.3
134.03691	0.8
135.04564	3.1
145.51280	0.6
149.06097	25.9
161.02431	1.0
177.05594	27.3
179.03525	46.8
195.06680	2.8
215.04491	0.7
221.04546	1.5
239.05650	100.0
240.05960	2.8
288.78198	0.8
383.09692	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	23.6
61.98849	2.2
78.95904	16.5
79.52299	1.9
90.27385	2.1
144.96368	1.9
152.99580	3.9
210.37950	2.0
224.07002	10.7
281.21783	3.8
281.24887	100.0
281.27899	4.4
506.32547	54.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3652
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82644	1.7
56.20377	1.4
58.81337	1.4
59.01393	12.5
61.98851	7.4
78.95943	3.2
84.85045	1.6
173.74309	1.8
177.73013	1.6
281.24902	100.0
294.04529	1.7
506.32562	25.6
528.71716	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	581.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
65.00328	2.5
71.01376	1.0
83.01398	1.1
87.00882	0.6
89.02448	1.1
93.55539	0.5
99.92581	8.5
101.02396	0.5
107.01399	5.8
108.02156	0.5
109.02969	0.9
116.92861	100.0
117.92858	0.6
125.02412	2.5
133.02101	0.5
135.04517	14.3
137.02414	0.6
139.78529	0.5
151.00381	19.3
151.04007	0.8
158.22932	0.5
158.68968	0.6
164.01054	0.6
164.65767	0.5
169.01480	0.6
176.01146	0.8
184.68121	0.5
214.02681	0.7
227.07094	0.6
237.15512	0.6
259.02484	0.8
271.02554	6.0
285.03931	2.0
286.04190	1.1
287.01944	3.0
287.05145	2.1
316.02295	11.4
317.03015	2.8
334.58719	0.5
344.12372	0.5
359.15005	0.7
398.94571	1.0
445.09714	2.1
463.08987	11.4
521.20215	3.0
545.00305	4.0
581.15088	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	581.0247
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	2.4
65.00328	2.5
71.01376	1.0
83.01398	1.1
87.00882	0.6
89.02448	1.1
93.55539	0.5
99.92581	8.5
101.02396	0.5
107.01399	5.8
108.02156	0.5
109.02969	0.9
116.92861	100.0
117.92858	0.6
125.02412	2.5
133.02101	0.5
135.04517	14.3
137.02414	0.6
139.78529	0.5
151.00381	19.3
151.04007	0.8
158.22932	0.5
158.68968	0.6
164.01054	0.6
164.65767	0.5
169.01480	0.6
176.01146	0.8
184.68121	0.5
214.02681	0.7
227.07094	0.6
237.15512	0.6
259.02484	0.8
271.02554	6.0
285.03931	2.0
286.04190	1.1
287.01944	3.0
287.05145	2.1
316.02295	11.4
317.03015	2.8
334.58719	0.5
344.12372	0.5
359.15005	0.7
398.94571	1.0
445.09714	2.1
463.08987	11.4
521.20215	3.0
545.00305	4.0
581.15088	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	581.1155
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75586	0.8
54.82776	0.7
57.03459	5.9
59.01104	1.6
59.01387	33.3
59.16356	0.9
63.38354	0.9
65.00330	17.0
66.23421	1.0
66.50134	0.9
71.01380	1.1
77.31789	1.0
79.68411	0.9
83.01402	10.2
85.02956	1.1
85.88193	0.9
87.00861	1.5
87.04666	1.2
107.01401	28.6
109.02943	1.4
116.92879	1.8
121.02911	2.1
123.04543	11.0
124.01640	4.8
125.02453	53.8
131.43094	0.9
133.02966	4.2
135.04529	1.9
137.02412	1.9
149.02446	3.7
150.03247	16.7
151.00386	100.0
151.04002	26.3
152.01173	22.5
153.01904	6.2
161.02393	1.8
163.03882	1.1
169.01402	6.7
175.04019	12.4
176.01102	1.3
177.01952	10.7
178.99864	23.6
188.04752	1.4
189.05574	2.3
193.04980	1.6
199.04070	7.4
201.01929	1.5
215.03564	1.0
217.05112	7.9
241.05083	5.2
255.02936	1.9
257.04501	2.2
259.06033	1.1
269.08188	4.2
275.05521	1.2
284.03140	1.8
285.04074	69.3
286.04288	2.3
297.09818	1.6
299.09158	1.9
303.05154	29.3
311.09109	1.3
314.11612	5.3
323.07617	2.2
326.11682	4.1
329.13953	11.3
334.31982	1.1
341.13931	5.6
389.16171	4.3
434.41415	1.2
449.10925	68.1
473.92444	1.1
581.11566	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	579.2664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.0
57.03466	2.3
59.01392	100.0
64.41118	0.9
71.01389	47.0
72.99305	2.2
73.02971	2.8
83.01414	2.0
85.02948	12.7
87.00875	1.9
89.02449	53.5
96.96040	6.6
101.02460	9.5
109.02964	1.9
113.02461	12.1
119.03479	1.9
123.04525	1.4
125.02441	2.0
131.03503	5.4
137.09740	4.8
149.04559	10.2
161.04565	2.2
200.15335	1.4
216.17711	1.3
369.19177	2.3
397.72110	1.4
519.24573	76.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2953
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42274	30.2
59.01400	100.0
61.98833	41.6
74.38084	37.0
76.57278	43.0
80.83691	36.5
87.50027	42.3
97.00675	34.3
128.55176	39.0
283.18954	47.3
355.12900	51.3
454.88486	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00491	0.2
59.01387	2.5
61.68304	0.3
71.01377	0.4
78.95901	5.3
79.95745	1.3
85.02972	0.3
87.44123	0.2
89.02423	0.3
96.96008	100.0
96.96907	8.7
103.65190	0.3
113.02483	0.2
122.16904	0.3
124.83463	0.2
125.02438	1.7
151.00391	1.3
178.99846	0.6
194.14604	0.2
202.06998	0.3
217.06544	0.3
271.02414	0.3
276.57861	0.3
289.20901	0.3
299.01883	0.5
300.02768	1.6
301.03540	0.3
397.09528	0.6
447.09207	0.3
519.31787	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
56.37148	0.2
57.03467	0.4
59.01136	0.3
59.01388	2.5
63.49728	0.3
65.15450	0.3
67.17746	0.3
71.01383	1.1
73.02975	0.3
78.95908	6.7
79.95750	1.7
83.01375	0.4
85.02985	0.5
87.58524	0.3
94.13227	0.3
95.94931	0.3
96.96013	100.0
96.96911	7.6
101.02447	0.5
113.02499	0.4
116.92870	0.7
121.02985	0.4
125.02467	2.8
135.04515	0.4
137.02475	0.6
139.98114	0.3
151.00354	1.6
153.01860	0.3
153.89647	0.3
161.02458	0.5
177.17586	0.3
178.99802	0.6
199.28398	0.3
255.03151	0.3
299.01990	0.5
300.02753	1.7
397.09238	0.6
399.11615	0.3
519.31860	0.5
561.16180	1.2
579.16119	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.259
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03891	13.3
56.55663	11.6
59.01382	41.1
71.01388	100.0
73.69213	14.0
85.35365	20.6
88.73776	14.7
90.61887	15.5
109.06605	25.8
122.31683	17.0
125.09710	29.1
151.63319	17.5
163.11266	21.4
207.10271	77.0
209.11787	32.9
225.11423	23.6
304.47073	17.1
370.77487	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	579.1
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	2.1
63.02438	1.3
65.00346	1.2
71.01391	0.5
73.44128	0.6
83.01377	1.0
87.00881	0.9
107.01402	4.6
109.02973	3.8
110.24424	0.5
112.68382	0.6
121.02943	5.9
125.02460	1.3
135.00914	0.6
137.02475	0.6
139.04019	0.7
148.01712	1.0
149.02448	0.8
151.00388	22.4
159.39836	0.6
163.00407	6.0
164.01169	0.9
166.02792	4.0
166.04126	0.6
169.01414	0.7
176.99977	0.5
178.99876	11.5
181.05110	4.0
181.06522	0.6
187.04060	0.6
201.05737	0.8
211.04094	0.8
225.05721	0.8
226.02789	0.7
227.03418	4.0
229.05032	0.9
243.02950	10.3
245.04538	4.1
254.02261	1.3
255.03030	32.8
256.03833	0.8
271.02524	52.6
272.03159	2.0
273.04196	1.3
283.02484	2.8
288.39157	0.7
299.01944	0.9
300.02789	100.0
301.03571	69.1
301.07120	1.1
337.08905	0.7
345.52957	0.8
348.21686	0.6
370.93777	0.6
389.44925	0.6
417.15659	5.0
447.09402	96.2
448.10181	0.7
449.90155	0.7
579.10010	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	577.4243
Annotation	3-demethylubiquinol-6
Peak:m/z	Relative Intensity
57.88846	2.3
59.01389	3.7
61.98839	3.6
80.27266	2.4
98.70962	2.4
102.45779	2.3
149.04848	3.0
277.21750	100.0
344.24493	2.8
407.98953	3.6
577.42438	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22729	0.1
57.67274	0.1
58.66635	0.1
59.01385	14.0
61.74948	0.2
61.98849	0.2
67.75940	0.1
71.01395	0.1
78.95904	5.8
85.98395	0.1
88.17440	0.1
90.09431	0.2
118.46654	0.2
152.99655	1.3
161.77466	0.2
168.04343	1.6
224.07001	1.0
242.08083	1.9
261.22507	0.2
277.21695	0.3
279.23325	100.0
280.23666	1.0
310.03192	0.2
504.31058	26.7
505.31696	0.3
566.51740	0.2
576.20679	0.2
603.36713	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
56.60626	0.9
58.21439	0.9
58.96704	1.0
59.01389	21.1
61.00589	1.1
61.98849	2.9
78.95918	18.6
80.31988	1.0
80.84330	1.1
100.92524	1.1
122.74840	1.2
126.87263	1.5
151.53056	1.3
152.99615	2.4
165.18340	1.2
166.47749	1.2
168.04326	2.6
189.08278	1.1
224.06984	7.1
279.23331	100.0
330.80823	1.2
398.73428	1.3
488.19171	1.2
504.31061	55.6
504.38559	1.9
567.61993	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	579.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	3.4
63.02422	0.5
63.20573	0.4
65.00339	1.9
65.02071	0.5
66.35817	0.4
71.01382	0.6
83.01409	1.0
83.71494	0.5
87.00884	0.7
91.01856	0.4
95.04844	0.5
96.96015	2.1
107.01399	4.4
108.02216	1.0
109.02951	4.1
117.79871	0.6
121.02967	5.2
125.02433	1.1
126.13411	0.4
135.00928	0.9
148.01704	1.0
149.02484	0.8
151.00389	25.3
159.04570	0.9
163.00389	6.6
164.01079	0.7
165.01988	0.5
169.01384	0.8
177.96242	0.6
178.99863	10.8
187.03973	1.2
199.04047	0.8
201.05498	0.6
203.03410	0.6
211.03979	2.3
215.03502	0.7
226.02745	0.8
227.03552	4.3
229.05116	2.4
234.70746	0.5
242.15782	0.6
243.02989	10.2
245.04599	3.6
254.02264	2.6
255.03032	31.1
255.05688	1.1
271.02509	55.5
272.03149	1.9
273.03906	1.9
283.02515	2.8
299.02167	1.9
300.02798	100.0
301.03558	65.1
371.11136	0.6
447.09406	78.0
448.09851	0.6
579.09924	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	577.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	2.5
59.01392	19.1
69.18901	1.3
71.01385	20.6
73.02955	3.7
75.41540	1.5
85.02959	7.4
85.90081	1.8
89.02464	8.5
96.96020	2.3
101.02457	10.4
106.04265	8.1
109.02978	3.0
113.02461	8.3
121.02844	1.7
125.02432	8.5
125.85440	1.6
138.03229	1.5
147.04581	2.8
151.00374	3.1
153.03239	1.5
161.04578	2.7
169.01392	2.9
209.15523	3.4
213.56012	1.8
245.04564	1.8
253.08725	100.0
285.04068	7.4
517.26428	3.3
577.19598	31.1
577.34766	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35015	0.6
57.03450	7.3
59.01383	20.8
59.71837	0.5
61.98833	0.8
71.01390	3.8
71.05016	0.8
72.02181	1.1
73.02961	1.0
77.70123	0.7
85.02962	1.1
85.06590	6.1
87.04521	1.1
95.05019	1.0
96.96003	4.1
97.06595	20.5
99.04512	1.1
101.09747	0.8
113.02466	1.4
121.02879	0.8
123.04547	3.3
125.02446	1.2
129.09225	11.9
129.94231	0.7
132.98763	0.7
137.02477	0.8
137.44331	0.8
139.52499	0.7
141.78119	0.7
143.10777	5.4
148.97081	0.7
149.37045	0.7
155.10728	3.0
157.12354	1.6
158.09491	1.2
161.02403	0.7
163.05461	0.7
171.10272	0.8
173.11836	31.8
178.16861	0.8
200.15067	0.7
257.73676	0.6
295.22696	1.1
309.24500	0.9
311.25980	1.0
355.24976	100.0
379.24976	3.4
517.30219	2.7
577.15649	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25072	0.6
59.01390	6.5
71.01382	1.5
72.65742	0.7
83.01395	1.1
85.02965	1.6
89.02437	1.0
93.03471	1.6
96.96040	4.7
107.01405	3.1
109.02948	1.6
113.02465	1.1
125.02441	4.3
135.00955	1.1
135.04591	0.8
137.02473	0.8
143.05025	0.9
151.00375	4.3
157.06621	1.1
159.04512	3.2
163.00403	3.7
171.04625	0.9
179.05661	0.8
185.06061	4.8
187.04024	5.6
189.05519	0.9
195.04538	1.3
197.06163	1.1
199.04063	1.1
211.04028	0.7
213.05573	3.0
227.03514	14.9
229.05078	19.0
239.03473	3.4
240.04271	1.2
241.05122	1.5
243.02840	1.0
253.08777	0.9
255.03001	16.2
256.03857	1.6
257.04602	8.7
267.03009	0.9
284.03333	8.6
285.04077	100.0
289.07275	1.7
300.02811	1.1
301.03735	1.0
577.15698	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1782
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.1
58.69175	1.6
59.01388	39.7
59.20915	1.5
62.04815	1.5
71.01398	3.2
81.24118	1.6
85.46497	2.0
88.98822	3.7
89.02447	2.3
92.27329	1.9
96.96003	23.1
97.02946	1.9
108.02253	1.7
109.02943	9.2
113.02472	3.8
121.02959	1.9
123.04524	4.4
125.02457	29.3
132.02144	7.6
134.03746	51.4
137.02437	7.8
139.48775	1.7
147.04514	2.3
148.05489	1.7
149.06081	18.6
151.03987	6.9
160.01657	74.8
161.02431	8.9
161.77194	1.9
163.03926	2.2
175.02478	3.7
175.04001	100.0
176.04720	3.8
178.02763	13.4
178.04088	1.6
191.07179	2.0
193.05080	65.3
201.05579	2.0
205.05106	2.1
217.05026	7.2
220.03773	2.0
229.51962	1.9
235.06149	11.7
245.08112	2.2
265.07227	2.2
287.05640	3.4
289.07303	13.5
295.08316	6.8
318.65991	2.0
355.10391	46.6
407.07715	12.3
425.08826	2.7
441.14008	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	577.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	19.4
61.78058	0.8
70.53178	0.8
81.03463	1.8
83.01408	5.9
95.01351	1.0
95.05025	2.1
97.02958	5.7
103.09401	0.8
105.03405	1.0
107.05064	1.2
109.02959	23.6
112.26048	0.9
119.34312	0.8
121.02953	3.8
122.03726	1.5
123.04530	15.2
125.02438	100.0
126.02813	1.3
133.02979	4.6
135.04526	1.9
137.02446	26.4
139.04005	3.9
145.02943	1.3
149.02452	6.5
150.03166	1.1
151.04025	11.8
159.04550	4.9
161.01259	1.4
161.02461	23.6
161.06107	7.0
162.03203	1.9
163.00381	1.4
163.03976	4.6
164.01170	5.2
165.01968	5.5
167.03506	1.6
173.05891	1.3
175.03981	9.1
175.07573	1.5
177.01994	7.0
179.03517	4.3
185.06123	1.2
187.04036	7.2
188.04823	4.9
199.04063	1.0
201.05656	0.9
203.07167	11.4
205.01395	1.0
205.05112	8.0
212.04820	1.0
215.41899	0.9
217.05115	0.9
221.08194	1.3
225.34047	0.9
227.03505	1.0
227.07072	1.0
229.05038	2.0
243.03084	1.2
243.06610	0.9
245.04553	2.1
245.08258	12.0
253.04997	1.0
255.03104	6.2
256.03943	1.2
273.04077	4.5
281.04617	1.4
283.02560	1.2
285.04105	1.5
287.05582	6.6
289.07220	45.4
289.10519	1.6
299.05701	4.9
339.08765	1.1
381.09775	1.2
407.07721	30.7
425.03665	1.4
425.08820	17.5
430.68564	0.9
451.10168	7.3
577.13751	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	577.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44622	0.6
57.03457	18.0
57.03714	1.0
69.03468	1.1
71.73375	0.6
81.03475	3.2
83.01389	7.0
85.98457	0.8
92.65259	0.7
93.03482	1.4
95.05051	3.1
97.02935	6.7
98.54713	0.7
98.94057	0.7
107.05048	1.6
109.02964	29.7
109.03680	1.2
115.05611	0.9
117.03460	0.8
121.02951	4.4
122.03748	3.1
123.04525	20.7
125.02450	100.0
131.05016	1.4
133.02972	7.9
135.04564	4.9
137.02460	20.8
139.04021	5.8
145.02988	1.6
146.03758	1.6
147.04553	1.4
149.02457	9.7
151.04012	18.7
151.05209	0.8
159.04517	7.6
160.05273	1.4
161.02457	31.9
161.06087	6.6
162.03268	3.9
163.00404	3.0
163.03970	5.1
164.01184	6.3
165.01924	6.0
167.03529	3.4
173.06064	1.5
174.03203	1.2
175.04022	12.6
175.07635	1.1
177.01936	8.2
177.05614	1.3
178.02725	0.9
179.03502	4.0
183.04503	0.9
185.06039	1.2
185.97382	0.7
187.04063	9.7
188.04784	5.3
189.05481	1.0
201.05618	2.8
202.06386	1.8
203.03601	1.0
203.07181	15.2
205.01567	1.6
205.05067	9.7
208.51309	0.8
211.03990	1.7
213.05617	1.8
215.03651	1.6
215.07121	0.8
217.05070	1.8
221.08214	3.0
227.03568	3.3
227.07156	1.7
228.04402	0.9
229.05122	6.2
237.05690	0.8
243.03014	1.7
245.04678	5.8
245.08238	16.2
253.05232	0.9
255.03070	12.0
255.05908	0.9
256.03748	6.8
257.04547	2.9
269.04587	3.8
273.04044	4.4
281.04578	4.3
283.02612	3.2
285.04181	3.5
287.05640	6.6
289.07236	55.1
297.07712	1.1
299.05637	4.4
339.08838	5.3
381.09982	1.1
407.07785	50.0
425.08945	23.8
451.10367	11.3
513.81036	0.7
577.13812	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	577.1363
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
57.03466	18.5
81.03481	3.7
83.01388	6.4
92.10732	1.4
93.03457	1.6
94.61344	0.7
95.05046	2.9
97.02441	0.8
97.02955	7.1
107.05038	1.5
108.02213	0.9
109.02958	25.7
121.02952	6.0
122.03757	1.8
123.04530	22.5
125.02447	100.0
128.54080	0.7
129.35449	0.7
131.05064	0.9
131.92549	0.7
133.02974	7.2
135.04538	1.5
137.02464	21.3
138.03281	0.7
139.04018	5.1
141.95250	0.7
144.74300	0.8
145.03049	1.0
146.03738	1.0
147.04601	0.9
149.02452	7.1
150.03290	1.2
151.04016	17.2
159.04556	4.9
160.05318	1.7
161.02466	26.6
161.06094	7.5
162.03218	3.3
162.86084	0.7
163.00443	1.7
163.04060	4.6
164.01195	5.3
165.01912	6.5
167.03554	1.0
167.04857	0.8
173.06125	1.1
175.04037	11.3
175.07649	1.6
176.01222	0.9
177.01913	8.2
177.05624	1.0
179.03453	5.8
183.04597	0.9
187.04037	10.2
188.04770	3.9
189.05577	1.1
193.05112	1.7
199.03969	1.3
201.05650	2.9
202.06381	3.2
203.07179	14.5
205.01570	2.9
205.05106	10.4
211.04065	1.0
213.05595	1.6
215.03554	1.5
217.05119	1.4
221.08244	3.2
227.03583	1.7
227.07127	1.3
228.04306	1.5
229.05128	3.2
231.02982	1.0
237.05441	0.8
243.03012	1.5
245.04550	5.2
245.08197	14.6
247.06154	1.1
253.05202	1.0
255.03082	12.6
256.03857	6.2
257.04510	3.3
269.04614	1.6
271.05978	1.1
273.04166	3.2
281.04593	4.4
282.01828	1.1
283.02704	1.0
285.04022	4.1
287.05658	6.4
289.07217	53.5
297.04221	1.1
299.05685	4.6
339.08755	4.2
381.10101	1.5
407.07785	49.1
425.08875	16.3
451.10226	8.0
577.13446	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	577.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00031	0.6
57.03457	19.6
59.16444	0.7
61.02467	0.8
77.23195	0.8
81.03475	4.5
83.01379	6.9
83.09173	0.8
89.04017	0.8
93.03466	2.0
95.01406	1.1
95.05048	3.2
97.02962	5.4
107.05062	1.0
108.02205	0.9
109.02959	30.3
109.03669	1.3
117.03446	0.8
121.02982	4.0
122.03761	1.1
123.04529	22.9
125.02444	100.0
130.67137	0.8
133.02924	6.0
135.00925	0.8
135.04520	5.5
137.02443	22.5
138.03223	0.8
139.04019	3.5
146.03732	1.0
147.04527	1.2
149.02464	8.8
150.03249	1.8
151.04012	21.2
159.04515	5.7
161.02452	33.7
161.06119	7.6
162.03256	3.4
163.00414	3.6
163.04034	4.5
164.01131	6.8
165.01920	5.8
167.03520	1.3
173.06136	1.8
175.04028	14.1
175.07611	1.6
177.01913	8.8
177.05545	1.7
178.02756	1.3
179.03476	4.7
181.47992	0.7
185.06099	1.8
187.04034	10.1
188.04770	4.0
189.05632	1.1
199.03862	0.8
201.05449	2.5
202.06348	3.0
203.03601	1.7
203.07178	13.3
205.01482	1.6
205.05086	9.5
211.03961	1.5
213.05534	1.2
215.03465	3.1
217.05067	1.9
221.08232	4.5
227.03604	3.5
227.07195	2.9
228.04256	1.3
229.05042	5.1
230.05838	1.2
231.03049	0.9
243.03040	3.2
245.04558	4.8
245.08264	14.7
247.06212	1.7
253.05099	1.8
253.20096	0.9
254.01726	0.8
255.03024	14.0
256.03726	5.9
257.04785	1.1
269.04605	3.2
271.06155	1.4
273.04199	5.3
281.04568	4.9
283.02573	1.8
284.03308	0.8
285.04080	3.5
287.05719	6.1
289.07242	55.0
299.05637	4.5
329.06567	1.0
339.08838	4.5
381.09644	1.5
407.07764	56.1
425.08890	21.8
451.10199	9.4
577.13684	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	577.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64812	0.6
56.27778	0.8
57.03463	22.0
57.03746	1.0
59.01391	1.2
69.03486	0.9
75.10799	0.8
81.03492	3.5
83.01382	7.3
92.38837	0.7
93.03458	1.1
95.05039	3.7
96.96036	1.4
97.02960	7.4
107.05041	1.2
108.02205	1.3
109.02966	31.2
109.03675	1.4
112.66375	0.8
116.92879	1.1
117.61535	0.7
121.02982	5.5
122.03760	2.0
123.04530	25.7
125.02443	100.0
126.02778	0.9
131.05020	1.4
131.68010	0.7
133.02966	4.9
135.04543	4.0
137.02454	24.7
139.04037	6.0
145.02991	1.7
147.04578	1.1
149.02409	7.6
150.03204	1.3
151.04027	18.2
159.04510	4.6
161.01103	1.5
161.02460	31.1
161.06084	6.5
162.03201	1.9
163.00426	2.0
163.03993	6.2
164.01151	8.3
165.01956	6.7
167.03523	1.4
175.04019	15.8
175.07626	1.0
177.01959	6.8
178.02661	1.8
179.03517	5.6
185.06100	1.1
187.04013	10.3
188.04781	4.4
189.05626	1.0
193.05087	4.0
199.03995	1.2
201.05598	3.3
202.06438	1.5
203.03493	1.9
203.07156	14.1
205.01433	1.7
205.05089	9.2
211.04050	1.5
213.05615	1.4
214.02954	0.9
215.03574	1.3
217.05135	1.2
221.08269	1.9
227.03551	3.3
227.07143	1.5
229.05078	3.8
230.05992	1.8
231.03009	1.5
243.03046	4.6
245.04578	5.2
245.08231	17.4
247.06100	0.9
255.03040	8.6
256.03812	5.4
257.04654	2.8
269.04538	1.6
273.04147	3.4
281.04489	4.0
283.02640	1.4
285.04132	3.7
287.05676	6.6
289.07211	52.4
290.07510	0.9
299.05698	3.8
323.05835	1.1
339.08884	4.7
381.09842	1.4
407.07742	47.0
425.08969	12.8
451.10452	9.1
543.30640	1.1
577.13696	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	576.332
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83145	0.3
59.01390	27.3
61.98849	1.4
63.99298	0.3
69.94112	0.3
78.95909	29.8
92.10786	0.8
96.96967	0.4
114.48987	0.4
122.98518	0.4
145.51413	0.3
152.99622	4.6
168.04333	5.5
224.07005	9.4
233.22685	0.5
242.07945	2.0
259.20709	0.6
277.21783	100.0
278.22046	1.8
297.28909	0.3
490.41064	0.4
502.29535	63.5
503.29684	0.4
534.98114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	17.5
59.01403	4.0
64.34836	0.8
65.00311	0.9
71.01397	3.9
81.03487	1.3
83.01411	5.5
85.02972	1.4
87.00916	1.3
92.10047	1.1
93.03454	1.2
95.01418	0.9
96.96017	1.8
97.02970	5.1
107.04984	1.3
108.02156	1.0
109.02968	20.7
110.40995	1.1
112.98816	3.5
116.46824	1.1
117.03445	1.2
121.02972	5.1
122.03746	1.6
123.04517	17.5
125.02450	100.0
127.07048	0.9
133.02933	4.0
135.04503	1.6
137.02451	25.8
139.04021	4.0
146.03758	1.1
149.02452	7.2
150.03230	1.4
151.04048	12.8
159.04535	3.7
161.02480	24.2
161.06041	1.9
162.03191	2.2
163.00374	1.1
163.04018	2.2
164.01131	4.5
165.01918	5.5
167.03365	1.3
175.04063	8.3
175.07689	1.4
177.01952	6.3
179.03461	4.0
187.04063	6.1
188.04770	1.8
203.03450	1.0
203.07137	8.8
205.01381	1.9
205.05080	7.0
221.08253	2.0
227.03596	1.4
229.05164	2.1
235.02275	1.1
241.08685	5.9
243.03064	1.4
245.04617	3.5
245.08199	10.4
247.06177	1.3
255.03015	6.2
256.03772	2.3
273.04111	4.9
281.04453	1.8
283.02582	1.9
285.04120	1.7
287.05667	4.6
289.07199	39.6
299.05649	5.5
300.02777	1.8
326.42902	0.9
339.08853	2.0
407.07779	30.0
425.08807	11.0
451.10123	7.6
463.08719	2.1
577.14203	6.3
585.41632	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	19.6
61.98832	0.3
71.01386	0.4
78.95905	7.4
87.88935	0.2
89.14324	0.2
96.96978	0.2
103.06413	0.2
140.77617	0.2
152.99611	1.3
168.04321	1.7
224.07030	0.5
233.22623	0.4
242.08015	2.8
259.20847	0.4
269.46078	0.2
275.20135	0.4
277.21783	100.0
278.22125	1.6
458.76285	0.2
502.29532	33.4
503.29745	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23455	73.6
54.01235	68.2
55.77146	77.2
56.71509	75.6
95.50079	87.3
125.52637	89.4
139.67081	89.4
147.68208	100.0
151.32185	91.1
157.72368	96.3
214.98866	93.0
265.13623	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.3033
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24869	0.1
56.87568	0.2
58.21740	0.2
59.01386	0.8
59.98094	0.2
61.98837	100.0
86.66832	0.2
88.89833	0.2
92.10851	0.3
94.51557	0.2
104.76427	0.2
118.29206	0.2
131.31966	0.2
139.54527	0.2
147.14249	0.2
147.99203	0.2
151.00354	0.2
255.09720	0.2
277.21777	1.6
278.22098	2.2
279.22385	1.4
280.22626	0.2
403.38892	0.2
473.23096	0.2
546.40967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27777	0.5
57.03461	1.4
59.01390	21.2
59.13487	0.7
64.34932	0.7
65.00349	1.0
66.00437	0.6
71.01405	7.8
72.02164	8.9
73.02964	3.7
74.72141	0.6
81.03473	0.7
81.07113	1.6
83.01408	1.0
83.05032	1.5
85.02985	3.5
87.04523	9.2
89.02470	1.4
97.06612	4.8
99.04556	1.3
101.02460	0.8
107.01394	3.5
109.06631	1.3
113.02435	1.0
121.51803	0.8
123.04539	3.6
123.08157	3.7
125.02428	2.8
133.02969	6.5
134.03319	1.7
135.03581	0.8
135.04552	9.6
135.08165	3.7
139.07663	1.5
141.09245	6.4
149.02423	1.0
151.00386	10.7
153.09222	4.5
165.01991	0.7
169.01453	2.6
171.10316	1.6
175.03993	1.1
175.11383	0.8
191.14470	1.1
209.15515	11.9
219.05627	0.7
227.42703	0.8
255.21291	1.1
285.04105	15.5
286.04431	17.9
287.04654	18.1
288.04919	3.9
289.04974	1.2
353.23401	100.0
354.23624	0.9
377.23212	2.9
471.33075	1.6
515.28613	0.9
566.08545	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37669	1.0
53.81481	1.6
57.03476	3.1
59.01389	30.3
61.98835	2.0
71.01395	6.2
72.02187	1.8
73.02967	1.8
80.58298	1.4
81.07106	2.1
83.05025	2.0
84.09154	1.2
85.02979	2.0
87.04529	26.1
89.02453	1.4
92.10747	2.1
95.05038	1.7
96.96035	6.2
98.77769	1.3
101.02465	2.3
113.02514	1.8
119.18611	1.5
123.04555	1.7
123.08163	1.7
125.02455	6.7
135.12355	1.3
141.09200	1.9
153.09244	1.5
209.15488	3.2
247.70995	1.5
278.27930	1.3
289.07190	2.3
353.23376	100.0
356.75748	1.4
365.19278	1.3
575.19360	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	575.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	0.5
59.01393	15.7
61.98832	0.7
70.20654	0.5
71.01397	2.4
83.76415	0.5
89.02476	2.7
99.16254	0.5
101.02458	3.4
108.02202	2.2
113.02457	0.7
131.15953	0.7
152.01108	0.8
167.80722	0.6
206.21535	0.6
235.08116	0.7
253.09302	9.1
279.23315	100.0
280.23615	0.7
326.57950	0.7
454.61169	0.7
496.97351	0.6
530.82166	0.6
575.29279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1122
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99175	0.4
59.01382	0.8
59.27390	0.5
61.98819	0.7
63.02407	0.7
65.00323	1.0
92.10826	0.9
103.40879	0.5
107.01400	2.6
125.09627	0.6
132.02190	0.5
133.02957	10.3
136.79021	0.5
145.03033	0.6
149.02483	2.2
151.00372	9.4
161.02451	3.1
175.04002	2.6
183.04526	1.1
199.03960	3.5
201.01897	1.1
211.04025	0.9
217.05063	1.9
219.95091	0.5
227.03557	2.5
241.05042	0.8
255.03008	96.6
256.03781	33.0
257.04352	0.7
268.07397	1.2
283.02505	100.0
284.03284	73.3
285.04065	87.1
285.07343	1.1
286.04501	0.6
320.90552	0.5
349.37656	0.5
355.07706	0.5
396.59305	0.6
537.04510	0.5
539.13617	28.6
588.84760	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.1128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70240	1.7
51.80620	1.7
57.43673	1.8
59.01402	8.3
61.89555	1.7
61.98838	19.1
63.02411	3.2
64.35223	1.8
65.00327	17.9
71.01400	2.7
83.01402	7.4
88.29458	1.9
92.10775	8.2
107.01401	28.3
109.16362	2.2
121.02971	3.9
123.04473	2.0
125.02463	12.1
135.04565	3.9
149.02481	3.0
150.03224	2.2
151.00392	66.5
151.01552	3.3
169.01453	2.5
204.79433	2.3
209.11862	3.3
211.13335	2.3
212.07445	2.1
215.33641	2.2
237.05617	3.2
249.05392	2.5
250.06630	2.3
251.07079	7.7
263.07108	14.5
264.07941	20.0
266.05945	2.2
278.06052	3.3
279.06638	8.6
281.82950	2.2
309.04080	7.3
353.23267	4.1
387.12393	24.5
402.07922	3.1
403.08276	4.6
432.08795	3.3
433.09174	2.7
437.74280	2.6
539.13568	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	574.288
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.6
61.98838	100.0
82.17269	0.1
91.54366	0.1
92.10860	0.2
94.73965	0.1
112.53648	0.1
155.23442	0.1
165.91707	0.1
168.07780	0.1
209.11816	0.5
210.12263	0.2
270.80072	0.1
376.63708	0.2
580.37897	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2927
Annotation	Tricalysioside O
Peak:m/z	Relative Intensity
51.18475	0.6
51.49778	0.6
51.79638	1.0
54.82716	0.8
55.01889	5.3
58.00610	2.1
59.01387	99.9
61.98840	5.4
64.42147	0.8
66.90799	0.7
71.01383	65.6
72.99312	1.4
73.02943	21.8
75.40716	0.7
76.57458	0.9
81.16127	0.8
83.01397	4.5
85.02960	16.8
87.00883	3.6
89.02445	100.0
91.11234	0.9
95.01405	3.4
95.52283	0.8
97.02956	1.7
97.41669	0.8
99.00877	28.5
101.02445	53.9
101.85333	0.9
108.02252	1.0
113.02465	18.7
119.03487	14.6
125.02458	4.5
131.03484	13.7
143.03601	1.1
149.04567	42.5
161.04579	1.9
164.74040	1.0
179.05652	0.9
184.90108	0.9
191.05641	13.6
221.06624	1.6
245.01744	1.4
251.07671	5.2
293.08810	1.5
381.22916	4.5
513.27148	89.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00010	0.2
53.47621	0.2
55.01892	0.3
59.01383	13.8
60.14467	0.2
63.24331	0.3
64.52454	0.2
68.01042	0.3
70.79974	0.2
71.01379	3.1
72.69749	0.3
73.02959	0.7
85.02955	0.3
89.02435	2.6
91.06329	0.3
101.02424	2.9
106.40273	0.3
113.02460	0.7
119.03528	0.5
123.84737	0.3
125.02557	0.3
138.00468	0.3
143.03502	0.3
161.04611	0.5
233.22806	0.3
235.08253	1.2
253.09323	10.0
263.87994	0.3
277.21753	100.0
278.22113	1.5
479.52350	0.3
543.19000	0.3
566.46686	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47766	0.7
53.81942	0.8
59.01386	9.0
61.98840	2.2
67.01900	2.0
71.01403	2.0
73.02955	0.9
83.10450	1.0
85.52928	0.9
87.00876	3.9
89.03961	1.1
93.03455	9.2
94.03806	0.9
96.96045	5.4
107.05062	2.0
108.02184	44.9
109.02951	2.3
121.02959	4.8
122.03722	19.3
123.04524	42.8
124.01659	2.0
125.02488	4.1
133.02943	1.9
134.03745	100.0
135.04559	10.4
136.01659	19.0
136.05336	1.5
137.02448	8.1
138.03281	1.8
139.04042	1.5
145.03009	2.0
147.04544	1.2
148.91727	0.9
149.02470	15.5
149.06094	57.2
150.03233	48.4
151.04019	66.3
152.04758	1.0
161.02432	12.0
162.03273	13.2
163.04028	17.3
164.04790	10.1
165.01952	2.3
165.05577	99.8
166.02705	1.4
175.04016	1.9
176.04865	1.1
177.01976	9.9
177.05595	12.1
178.02734	25.5
179.03510	1.1
181.05170	4.0
189.01949	1.6
190.02751	6.6
191.03496	7.5
192.04434	7.3
192.05890	1.0
193.05090	52.0
204.04318	1.6
205.05118	14.0
207.06657	25.8
211.07680	1.8
225.05620	1.4
239.03493	1.8
239.07159	6.4
240.04332	2.0
241.05077	1.7
243.06778	1.4
253.05328	3.6
253.08679	1.7
255.06688	10.0
257.04608	1.2
257.08200	1.5
267.06659	32.2
269.04675	1.6
270.08923	1.4
281.08212	8.4
283.06195	4.7
287.09225	13.9
298.08365	1.5
299.09329	23.1
301.10861	30.1
313.10861	12.2
327.08984	1.1
342.11084	9.0
343.11948	51.3
351.21896	6.1
383.93066	1.0
449.16153	15.0
537.14032	1.2
573.21143	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	573.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.9
59.25332	0.9
61.83320	1.0
61.83730	1.0
61.98840	13.0
67.01881	1.2
68.99848	1.4
80.02673	1.5
92.10854	2.3
93.03469	10.9
107.01420	1.1
107.05054	2.4
108.02187	51.2
109.02969	2.4
119.05102	1.2
121.02966	5.7
122.03748	17.0
123.04527	55.8
124.01686	1.3
133.02951	4.5
133.49416	1.2
134.03743	100.0
135.04550	11.6
136.01651	13.6
136.05273	1.7
137.02444	6.5
138.03206	1.3
139.04027	1.4
145.02957	1.8
149.02455	17.4
149.04892	2.1
149.06087	63.0
150.03229	37.5
151.00363	4.8
151.04010	44.6
161.02473	11.4
162.03270	9.2
163.04024	16.7
164.01099	2.4
164.04779	9.3
165.05574	91.0
175.03989	2.1
177.01964	14.5
177.05569	11.3
178.02722	28.4
179.07147	1.3
181.05061	5.7
189.05585	2.5
190.02687	4.7
191.03468	6.0
192.04324	10.2
193.05081	73.2
196.00169	1.3
201.05698	1.5
203.03557	1.7
204.04355	1.3
205.05127	12.6
207.06648	28.1
212.04826	10.8
213.05577	5.3
223.07529	1.6
224.04768	1.7
225.05658	4.9
227.07201	2.0
229.05107	5.4
238.06474	1.3
239.03513	6.6
239.07172	5.1
240.04337	16.8
241.05128	13.7
253.05070	1.9
255.06654	23.0
256.07339	1.4
257.04462	9.4
267.06662	35.8
272.07053	2.2
281.08252	11.4
283.06134	6.8
286.04825	1.5
287.09262	31.1
298.08600	1.9
299.09317	28.8
301.10837	42.0
313.10861	20.4
342.11115	10.7
343.11935	72.0
415.67950	1.6
449.16132	29.2
466.56836	1.4
548.07117	1.2
573.22095	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	573.1469
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46465	0.6
59.01377	7.6
68.99815	1.7
71.01399	4.2
72.99281	0.9
73.02938	1.2
77.48518	0.7
79.52727	0.7
83.01404	3.6
85.02950	5.7
87.00890	3.9
89.02460	3.2
92.10787	0.7
95.01369	0.8
99.00864	1.6
101.02470	3.5
104.09179	0.7
108.02215	1.0
109.02938	0.7
111.00864	1.0
113.02464	4.4
114.38737	0.7
115.00401	1.7
117.61367	0.9
122.03667	0.7
123.00887	1.5
123.04518	3.0
124.01646	1.3
125.02415	0.9
131.04999	1.3
134.03761	10.4
135.04527	1.7
136.05257	1.0
137.02438	1.0
148.05319	31.2
149.06070	1.7
151.04076	1.2
157.33359	0.7
158.03688	0.8
160.01674	4.5
160.05331	1.7
161.02481	7.4
162.03224	26.4
163.03981	3.9
163.07637	1.7
164.04805	6.2
167.24968	0.8
172.05182	0.7
173.06137	1.4
174.03238	1.1
175.02489	3.9
175.03995	13.3
176.01161	1.6
176.04774	3.4
177.02020	1.2
177.04021	1.6
177.05580	42.4
179.07137	1.1
186.03235	1.3
187.03899	2.5
188.04813	5.2
189.01999	1.4
189.05501	3.2
191.03424	1.0
191.07106	6.4
192.04327	1.0
194.02231	4.5
195.06705	5.1
199.03981	1.3
200.04739	1.2
201.05696	1.6
202.06406	1.3
203.03491	1.6
203.07245	1.2
204.04372	8.1
205.04944	0.9
207.04907	0.9
207.06677	13.6
212.04784	1.4
213.05646	0.9
214.02715	1.3
214.06219	1.3
215.03465	1.1
216.04317	3.4
217.05074	1.4
217.08733	0.9
219.06685	5.1
223.06111	6.4
227.07150	1.1
228.04306	0.8
229.05095	4.5
230.05830	1.7
231.06595	1.5
232.03700	6.0
233.04562	1.2
233.08195	1.5
235.06110	1.5
243.06615	3.0
245.08186	3.6
247.03651	1.2
247.06142	28.8
249.07774	7.0
251.05634	100.0
256.03772	1.3
259.06104	3.8
261.07803	1.2
263.09174	1.5
271.06122	6.5
285.07837	5.9
289.07239	9.1
291.05173	33.9
303.08649	3.8
307.08167	6.9
324.24609	0.9
349.09344	6.4
351.07285	30.0
419.48343	0.8
469.13574	7.6
513.12579	18.9
573.22021	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.2138
Annotation	Unknow
Peak:m/z	Relative Intensity
56.71385	0.8
59.01390	1.9
61.98841	5.2
80.02695	1.3
93.03439	7.8
107.01298	1.0
107.05048	2.3
108.02187	41.7
109.02969	4.6
110.48645	0.9
121.02957	5.0
122.03739	17.2
123.04527	53.8
129.68762	1.0
133.02983	2.3
134.03752	100.0
135.04550	13.0
136.01683	11.5
136.05278	1.1
137.02458	7.8
138.03224	1.4
145.02953	1.6
147.04538	1.3
149.02461	12.9
149.06099	67.3
150.03246	38.3
151.04030	53.6
152.04797	2.3
154.02773	1.3
154.82114	1.0
158.49783	0.9
158.98994	0.9
159.04692	1.1
161.02490	9.9
162.03239	12.2
163.04031	15.6
164.04889	6.5
165.01981	1.7
165.05586	78.4
169.06422	0.9
171.04579	1.5
173.02454	1.1
175.04054	1.9
177.01956	13.7
177.05611	12.2
178.01190	1.1
178.02747	28.9
178.04266	1.9
179.03490	1.9
181.05077	5.3
185.06085	1.7
187.04044	1.1
189.05641	0.9
189.78253	1.0
190.02763	4.7
191.03525	5.1
192.04283	8.4
193.05086	80.4
196.05299	1.3
197.06204	1.0
201.05637	0.9
204.04282	1.1
205.05069	14.9
207.06677	29.5
209.06111	1.4
211.04010	1.9
211.07672	2.0
212.04839	9.4
213.05563	5.8
215.03563	1.2
215.39319	1.0
225.05617	4.3
227.03587	1.4
227.07219	1.7
229.04996	4.7
239.03496	4.5
239.07111	5.4
240.04321	18.1
241.05156	11.1
243.06483	1.1
244.07462	1.1
253.04951	2.0
255.06686	22.1
257.04602	11.5
267.06647	31.3
269.04416	1.1
272.06992	4.1
281.08270	10.8
283.06125	4.9
285.07767	1.9
287.09305	31.6
297.07800	1.4
298.08496	1.5
299.09299	28.5
301.10892	39.8
313.10846	23.1
327.08951	1.2
342.11151	11.0
343.11911	72.6
449.16183	23.6
537.12018	2.3
573.21161	4.7
604.61841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68445	0.4
54.95554	0.3
56.05821	0.3
57.86344	0.3
59.01383	1.8
61.60260	0.3
61.98835	100.0
69.34093	0.4
70.01050	0.3
71.01382	0.5
91.01897	0.6
92.12475	0.5
101.02452	0.4
109.02985	0.5
109.21802	0.4
125.02363	0.4
134.03755	2.8
136.14378	0.4
137.02431	0.4
149.06042	1.4
151.04012	2.5
225.05603	0.4
253.05077	0.4
269.04620	0.4
312.04507	0.4
397.60410	0.4
399.14993	0.4
419.11319	1.9
510.35944	1.8
569.82068	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.88823	0.7
59.01382	1.9
71.01369	0.8
89.02464	0.9
92.10822	1.3
93.03487	0.8
96.96026	14.4
101.02438	0.9
102.85201	0.8
114.91106	0.9
121.02956	100.0
122.66891	0.8
132.36656	0.8
150.03221	3.4
155.61349	0.9
165.01941	72.4
165.05583	2.0
173.90739	0.9
177.85587	0.8
189.34209	0.8
218.32033	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.24
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	1.1
59.01386	2.6
60.99316	18.4
78.18344	1.1
80.91857	1.1
87.00909	1.1
88.98804	100.0
89.02444	2.7
94.27970	1.1
125.02384	2.0
138.05420	1.0
145.02895	1.4
164.04759	2.5
180.10355	1.2
343.78168	1.2
584.09406	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	571.2893
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
50.70268	1.0
54.25640	1.0
59.01381	2.0
61.98825	1.6
66.12299	1.0
74.11552	1.3
78.95900	72.3
80.50848	1.3
81.23004	1.2
96.96944	16.7
115.00384	1.4
120.53627	1.3
152.99593	67.6
162.33702	1.3
241.01201	35.0
255.23323	100.0
298.14188	1.6
315.04871	6.8
356.35666	1.4
365.24374	1.6
391.22583	5.0
571.28949	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2722
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.1
61.98838	100.0
63.65889	0.3
107.03610	0.3
219.82143	0.3
297.26941	0.3
370.85513	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	2.5
57.03458	2.7
59.01386	5.1
59.45618	2.2
61.35473	1.8
61.71857	1.9
71.01407	3.2
73.02964	5.7
75.31901	2.3
83.01395	24.2
87.00878	2.7
96.96014	36.4
98.95621	3.7
99.00881	15.2
99.02557	2.6
101.02461	12.9
103.00411	5.7
105.93332	2.7
107.59275	2.2
110.62132	2.5
115.00408	3.8
127.00366	74.5
127.02077	15.9
129.19411	2.7
131.03528	3.1
145.01443	5.2
146.18471	2.4
163.02509	18.4
163.03905	2.3
164.04880	3.1
179.07159	3.1
181.21925	2.6
189.02174	39.1
192.67932	2.3
291.08743	4.1
294.58795	2.7
335.09943	2.8
473.00797	2.8
489.91006	2.8
549.15179	2.6
554.63892	2.5
573.12866	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	76.6
61.66246	2.6
61.98854	4.8
69.66468	2.0
71.29041	2.2
75.47900	2.6
80.02714	2.5
81.03458	4.3
83.05039	10.0
93.03411	3.7
93.23811	2.3
97.02940	2.8
109.06602	21.3
109.89697	2.4
116.60938	2.3
119.05036	9.8
122.07454	2.3
125.09764	5.0
131.58427	2.4
134.03683	9.9
135.04614	2.4
149.06114	3.3
163.11313	15.7
171.04552	3.9
177.09203	3.7
185.11801	3.8
189.09331	3.4
199.04045	6.2
207.10315	35.3
209.11880	100.0
225.11418	19.0
227.12920	10.8
373.24039	3.2
399.21732	3.6
400.04462	3.2
448.10318	2.8
473.25620	22.3
491.26758	11.6
509.27783	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	569.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	11.8
61.98835	100.0
75.75786	2.1
87.04501	3.1
88.98800	3.5
92.10857	4.5
101.02460	4.0
105.25666	2.4
125.02457	4.7
137.06097	2.4
141.51114	2.8
141.85435	2.7
151.00406	3.7
153.25272	2.6
162.81181	2.3
177.09200	3.8
209.11800	3.2
211.04050	3.8
211.13646	2.4
227.03600	20.0
229.05077	10.8
255.02998	38.9
283.02512	4.8
284.03284	37.2
285.04059	43.2
413.08954	4.2
454.29517	3.3
462.83310	2.7
507.12939	2.9
509.35989	3.4
533.33673	3.5
539.15631	3.7
551.15674	15.1
569.17120	3.4
569.31110	54.0
591.01843	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	570.178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83604	1.0
59.01386	2.1
61.98836	100.0
79.10458	0.9
85.97784	1.0
103.72545	0.9
150.81221	0.9
162.06860	1.2
177.09146	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2192
Annotation	9,9'-Dibenzoylsecoisolariciresinol
Peak:m/z	Relative Intensity
58.94178	0.6
59.01389	1.2
59.68822	0.6
61.84426	0.6
61.98835	1.1
67.34331	0.8
76.15460	0.6
77.94411	0.7
78.21591	0.7
78.42104	0.6
78.63043	0.7
93.03462	27.0
93.04004	1.2
101.77659	0.7
108.02190	4.5
109.02969	1.2
112.39130	0.7
113.22655	0.7
114.40695	0.6
117.03479	0.8
119.05033	100.0
121.02973	3.6
123.04510	0.8
134.03752	71.3
135.04514	3.6
136.01524	0.8
141.56183	0.7
145.02954	1.2
149.02400	0.8
149.06100	43.2
151.04053	0.8
163.03995	1.1
165.05576	1.7
197.06123	0.8
209.06059	1.3
224.04771	2.6
225.05641	1.5
237.05574	4.3
238.06480	1.6
240.04140	0.8
241.05162	1.5
251.03493	3.4
251.07182	1.2
252.04326	4.5
253.05106	41.7
253.08748	1.7
255.06577	0.8
264.42368	0.9
265.05084	4.3
265.08801	1.0
266.05920	3.5
267.06586	5.8
268.07513	1.3
281.04837	1.2
281.08264	3.3
295.06290	1.2
297.07605	1.1
301.08646	1.3
309.07690	1.2
311.09393	1.1
311.47083	0.8
313.11075	1.5
315.10193	1.7
327.12711	1.0
328.07703	1.0
329.08310	3.0
340.07327	1.6
341.08066	1.1
343.09924	1.4
344.10678	3.7
357.07843	4.5
372.10138	4.9
373.10864	1.6
387.08383	1.3
387.12521	3.4
389.10333	2.9
417.13379	7.4
419.15128	40.1
433.16711	10.9
449.16263	5.9
455.02936	0.9
475.17566	9.0
502.07138	0.9
569.21967	33.4
570.21790	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09081	0.7
52.40383	0.7
53.75095	0.7
54.82788	0.8
55.97483	0.8
59.51590	0.9
61.68025	1.0
67.89606	0.8
76.57672	0.9
89.30727	0.9
93.03466	100.0
108.02200	6.0
108.38985	0.9
109.02972	3.6
117.03448	1.6
119.05087	1.3
121.02993	1.9
122.03764	1.3
123.04565	5.2
134.03754	82.3
135.04533	3.8
136.44609	1.0
145.02960	1.8
149.02499	1.3
149.06108	59.9
151.04018	1.6
165.05609	2.0
169.06589	2.2
193.85927	1.0
195.08371	1.1
197.06049	2.1
209.06142	1.8
224.04875	2.1
225.05568	6.4
237.05643	4.4
238.06299	1.2
241.05083	3.7
244.05150	1.1
249.05574	1.5
252.04335	7.0
253.05112	89.2
265.05136	4.2
266.05914	2.2
267.06656	12.9
268.07507	4.0
271.62152	1.0
279.06409	1.0
281.04532	2.0
281.08191	3.6
283.10156	1.1
293.04663	6.0
294.05414	2.2
295.06195	5.5
300.08038	1.6
301.08746	5.5
302.09705	1.9
309.07767	9.7
311.09290	1.5
315.10416	4.6
323.09396	1.5
325.10999	2.1
327.10226	1.2
328.07468	1.4
329.08252	9.8
339.12393	5.3
340.07568	2.0
343.09772	4.6
344.10724	8.7
356.07004	1.6
357.07727	8.7
359.13123	2.3
361.10507	1.3
371.09274	1.8
372.10193	8.9
387.12637	9.3
389.10266	7.1
419.15091	78.4
433.16559	15.9
471.35107	1.1
475.17737	53.3
501.42538	1.0
569.21930	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
55.26075	2.5
57.03465	4.5
59.01382	100.0
67.01942	3.3
71.01391	12.6
73.02955	4.3
81.03467	5.0
81.74490	2.6
82.02495	3.0
83.01434	3.6
83.05042	4.6
83.65368	2.7
85.02959	51.8
87.00887	6.8
93.03462	11.5
95.01376	29.5
96.96020	7.4
97.02928	3.8
99.04555	5.8
101.02437	5.1
109.02953	15.2
111.00883	6.6
113.02473	6.7
119.03402	3.2
123.04534	22.2
123.80775	3.0
124.04861	4.2
127.04004	20.2
135.04535	6.0
139.00380	15.5
145.05122	2.8
149.00873	3.0
154.16165	2.7
155.03522	5.8
179.03365	3.4
199.02495	35.3
255.05110	19.9
256.05511	6.1
285.06119	3.4
309.03018	3.2
345.08334	11.9
387.09442	5.9
405.10468	12.7
465.13058	5.5
551.16571	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	569.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30552	0.9
59.01383	1.7
60.61521	1.0
61.98843	4.2
65.00351	2.0
72.08583	1.2
72.70786	1.0
93.03463	42.9
108.02203	2.0
121.02935	1.8
134.03740	63.6
135.04532	44.7
149.06087	33.6
149.99544	1.2
171.04433	1.1
179.39749	1.0
180.84795	1.1
184.00090	1.1
195.04552	6.7
211.03992	6.0
223.04001	9.3
239.03502	2.5
240.04324	2.8
251.03697	1.9
253.05099	1.6
267.02997	28.0
267.05853	1.8
267.06827	1.1
268.03754	7.4
279.06638	5.1
281.04514	5.6
281.07806	4.1
282.05298	5.6
293.04425	1.6
295.02515	11.1
309.04071	5.7
309.11401	1.7
310.04825	5.1
325.03586	2.3
325.07196	42.3
333.11374	2.4
339.08789	6.1
417.09747	1.5
419.10977	3.6
445.09436	1.6
475.14005	100.0
476.15289	1.4
569.18256	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26837	2.2
59.01383	14.2
61.98839	4.7
66.77587	2.2
82.21221	2.1
92.10133	3.7
93.03458	4.8
108.02201	15.5
109.02920	2.5
123.04512	5.7
133.02922	3.7
134.03748	96.5
136.01666	3.5
149.06099	100.0
151.04012	5.8
161.02443	8.8
165.05580	4.6
177.01930	23.3
201.01985	23.4
241.05118	2.7
255.02954	5.9
267.06607	9.0
283.02264	2.9
284.03119	3.6
309.07520	3.3
323.05759	5.7
353.10364	93.6
372.93878	3.2
459.14462	15.1
510.52289	2.4
534.59528	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	569.2192
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55059	0.1
53.30898	0.1
53.45797	0.1
59.01392	0.2
61.98840	0.4
62.98121	0.1
66.01220	0.1
72.18066	0.1
73.35203	0.2
74.86293	0.1
77.25906	0.2
93.03468	13.5
106.00832	0.2
106.04247	0.2
108.02193	3.0
117.03512	0.2
119.05034	100.0
120.05394	0.3
121.02955	0.3
123.04551	1.6
133.02992	0.2
134.03752	47.4
135.04549	1.8
136.01648	0.3
145.02960	0.8
146.03731	0.2
147.04549	0.2
149.02534	0.3
149.06099	23.7
150.03302	0.3
151.04019	0.9
163.03999	0.2
165.05644	1.5
186.03288	0.2
194.67215	0.2
203.18985	0.2
211.04025	0.7
212.04828	0.2
223.04178	0.2
224.04817	2.2
225.05634	0.3
226.02821	0.2
227.03546	0.6
236.04854	0.3
237.05646	1.9
238.06403	0.2
239.03551	1.2
240.04352	1.0
241.05240	1.0
249.05597	0.3
251.03516	2.8
251.07317	0.2
252.04286	0.6
253.05089	1.3
254.05952	1.5
255.06702	0.3
264.04434	0.3
265.05093	3.1
266.05972	0.8
267.03113	0.3
267.06796	0.9
268.03708	0.3
277.05148	0.3
279.06689	0.3
280.57074	0.2
281.04611	0.7
281.08319	1.6
282.05527	0.6
283.06149	1.3
289.17786	0.2
293.35910	0.2
295.06729	0.2
295.09882	0.8
296.07040	0.4
297.07758	2.0
301.08334	0.2
301.11319	0.2
311.09470	0.4
313.11044	2.3
325.07874	0.2
327.12466	0.9
329.08319	0.6
340.07587	0.7
341.08383	1.0
343.09995	0.6
354.09357	0.2
356.07123	0.3
357.07736	1.8
359.09311	0.2
369.07925	0.3
371.09479	0.3
372.06555	0.6
372.10519	0.3
373.10947	2.0
385.36392	0.2
387.08548	2.3
387.13092	0.3
388.13403	0.2
389.10641	0.2
403.12375	0.2
417.13553	5.8
419.15204	11.5
433.16638	5.0
449.16183	5.5
463.17856	0.2
569.22156	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75850	0.4
55.01899	2.7
57.03460	4.2
59.01390	66.1
61.98845	7.1
71.01385	24.8
71.01776	0.9
73.02953	7.7
83.01396	5.7
83.17189	0.6
85.02962	13.9
87.00906	1.2
89.02447	6.3
92.10003	1.2
95.01399	2.5
97.02986	0.8
99.00897	3.7
101.02448	21.5
101.03085	0.8
109.02953	2.1
111.00921	1.3
113.02455	12.4
119.03509	0.8
121.02950	0.8
123.04530	1.3
125.02446	4.9
145.02937	0.8
149.02466	0.6
149.06094	0.8
159.03058	1.1
159.04431	0.9
161.04579	5.3
161.05920	0.6
173.06013	0.8
175.03999	0.8
187.07675	1.2
201.05618	0.6
201.09193	0.7
205.08717	3.0
220.00130	2.9
229.08563	0.6
253.04968	0.7
263.05518	0.8
271.06213	2.5
277.07040	0.7
289.07199	2.3
299.26151	0.9
336.92130	0.6
345.30103	5.9
367.15527	2.6
410.16013	1.0
438.64328	0.6
507.35452	100.0
508.35687	2.3
559.20288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	26.8
61.98832	100.0
69.14912	6.3
71.01408	7.8
72.99320	23.6
79.99692	5.3
88.98818	24.7
92.80327	4.9
114.92836	5.9
117.27611	4.6
117.56773	6.0
165.61702	5.5
285.03961	6.0
295.53357	6.3
535.51263	6.7
568.15900	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	569.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31769	0.2
59.01393	1.3
59.04200	0.2
60.21478	0.2
60.99325	0.3
65.00337	0.2
71.01376	0.3
77.12636	0.2
77.39690	0.3
79.09601	0.3
81.03446	2.6
83.01411	0.4
86.04377	0.3
88.98824	1.3
92.10809	0.8
97.02938	0.3
99.08195	0.3
101.88294	0.3
121.02936	0.3
122.03725	1.2
123.04565	0.6
123.08165	1.2
125.02433	6.1
125.06083	2.5
149.02464	1.3
151.00342	0.6
165.09210	29.4
167.07068	0.3
191.03564	0.3
191.07161	0.4
193.05020	0.2
193.08784	0.6
205.08684	0.6
209.08221	100.0
221.06215	0.3
221.08147	0.6
223.09863	2.5
233.08211	13.4
233.10564	0.5
251.09277	8.4
263.09253	2.0
275.09082	0.3
329.23758	0.3
347.24426	11.1
371.13516	40.9
372.33670	0.3
533.19006	0.4
569.16357	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01901	1.0
57.03472	2.2
57.62970	0.5
59.01395	100.0
63.35323	0.5
69.03477	2.6
71.01397	21.6
71.01772	1.0
71.05058	2.5
72.99319	1.1
73.02956	19.1
75.24906	0.5
79.38419	0.6
83.01392	5.8
83.05041	0.8
85.02973	8.5
85.32454	0.6
87.00929	0.6
89.02446	8.0
95.01359	1.0
96.95994	0.7
97.02954	8.7
97.06651	0.6
99.00907	1.0
101.02453	19.7
113.02460	9.1
113.54167	0.5
119.03516	3.2
125.02428	2.8
127.03998	1.0
131.03528	0.8
135.08145	0.7
137.02423	0.8
137.09715	0.7
140.69028	0.6
143.03526	0.9
145.02988	0.7
149.04597	2.6
151.48183	0.6
155.03481	0.7
161.04559	5.7
165.12823	1.4
183.50652	0.6
194.91389	0.7
201.16454	1.1
205.16016	0.6
219.17531	0.9
249.15034	3.6
257.19156	6.1
275.20221	5.2
298.50339	0.6
301.18216	13.5
319.19211	4.7
449.99280	0.6
463.23495	9.5
481.24542	5.5
523.25623	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	567.1938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82871	0.4
59.01412	0.5
61.39274	0.3
64.34798	0.4
70.23035	0.4
71.01392	1.9
73.02966	0.7
81.03464	0.5
85.02966	3.0
87.00918	0.6
95.01413	1.8
96.04543	0.4
101.02438	0.5
108.02190	94.6
108.32044	0.4
109.02968	31.9
113.02453	0.8
116.34782	0.4
121.02962	0.8
123.00898	0.5
123.04491	0.6
125.75389	0.4
133.02974	0.7
135.04485	0.4
151.04048	1.8
152.01175	82.2
153.01962	24.3
163.03996	0.9
165.01952	2.3
245.00513	0.4
268.78412	0.4
315.07275	100.0
435.27383	0.5
500.75455	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84801	1.3
56.88791	1.2
59.01394	10.0
61.98842	8.6
93.03468	10.6
96.95978	1.5
109.02970	3.0
129.64464	1.4
133.02956	8.5
195.08134	5.6
239.07164	100.0
253.08736	18.7
254.09454	10.7
360.79315	1.8
469.89206	1.5
507.17902	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	567.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	11.6
56.17706	0.9
57.03465	6.4
58.00596	1.5
59.01385	91.6
67.24390	0.8
68.70000	0.9
68.81758	0.8
69.03472	3.7
71.01383	83.8
72.99323	3.6
73.02949	38.0
75.00876	1.2
83.01392	27.6
85.02958	50.3
85.03446	2.0
87.00911	5.0
87.04516	1.4
89.02438	10.8
93.03473	5.2
95.01411	5.8
95.15733	0.9
97.02928	6.8
99.00898	10.4
101.02450	65.5
103.04028	3.9
104.47048	1.0
109.02972	1.5
113.02459	31.1
119.03516	3.7
125.02464	10.5
129.01912	1.4
134.84457	1.0
138.88689	0.9
143.03471	3.6
151.04051	6.6
159.03006	7.1
159.30574	1.0
161.04565	26.6
163.06128	4.9
168.51653	0.9
229.07190	2.2
229.19145	1.1
247.08223	3.8
307.10248	1.6
326.16113	0.9
346.20712	1.1
361.13016	58.0
369.13373	2.0
474.31873	1.1
507.18765	100.0
508.19254	1.3
567.23981	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01153	0.6
59.01381	4.9
60.87135	0.5
71.01397	1.1
72.79748	0.5
72.90907	0.5
84.26294	0.6
85.02958	4.2
87.00883	6.5
89.02431	0.7
93.03448	1.1
95.01421	0.5
95.74176	0.6
96.96022	2.9
101.02456	0.7
106.04256	3.1
107.05037	18.6
107.05718	1.1
108.02204	0.7
114.93432	0.5
121.02955	3.5
129.01997	2.2
131.04918	0.7
133.06587	10.5
135.04510	2.6
149.06082	24.1
150.06375	0.8
163.03947	0.7
177.04041	0.9
177.05576	26.0
179.03499	42.5
195.06693	4.1
209.01118	0.6
209.46832	0.6
233.57045	0.8
239.05627	100.0
240.05946	3.0
327.07095	0.9
345.15475	1.4
438.35413	0.6
464.14996	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.0451
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34072	0.1
54.83009	0.1
59.01402	0.2
60.12834	0.1
65.00336	0.2
65.91982	0.1
69.24271	0.2
71.01390	0.1
73.02959	0.7
73.03720	0.1
99.92585	7.6
107.01395	0.3
116.92868	100.0
117.01968	1.1
117.92883	0.8
125.02454	0.8
127.43430	0.2
132.26680	0.1
143.19702	0.1
150.03291	0.2
151.00374	1.7
151.04062	0.5
152.01137	0.3
178.99843	0.2
253.57945	0.2
285.04178	1.1
303.04843	0.2
349.46579	0.2
449.10855	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14141	0.4
54.99752	0.5
59.01377	4.6
61.98847	1.0
62.62850	0.5
65.00332	6.2
65.74182	0.4
68.75219	0.4
71.01407	1.0
83.01402	3.7
87.00848	0.5
89.02469	0.8
90.32246	0.5
91.01959	0.7
92.10080	1.0
93.03452	10.4
107.01392	15.6
108.02172	2.0
109.02948	9.5
111.00925	0.5
119.01421	1.0
121.02955	12.7
121.03758	0.9
124.01696	0.5
125.02442	1.2
127.11304	0.9
133.02974	0.7
135.00928	0.9
137.02448	13.2
138.33281	0.5
139.04039	1.1
143.05017	0.8
144.28914	0.5
145.02953	0.5
148.01685	1.2
149.02451	1.2
151.00378	44.6
152.00920	0.6
159.04504	2.5
161.02475	0.6
163.00398	9.8
164.01189	0.8
165.01891	0.6
169.01410	4.7
171.04506	0.6
175.03944	0.8
178.99869	19.4
180.35362	0.5
183.04552	1.1
187.04025	3.7
192.00566	0.9
198.03207	0.7
199.04010	3.6
201.01843	0.5
201.05641	1.9
211.04065	5.6
213.02000	0.5
213.05518	0.7
213.15010	3.3
215.03568	1.1
216.04292	0.9
226.02811	1.0
227.03470	5.1
229.05055	5.2
239.03542	2.0
243.02998	13.1
245.04559	6.1
254.02177	1.0
255.03026	29.2
257.04590	2.6
269.04407	0.6
271.02515	52.3
272.03238	2.1
273.03964	4.5
283.02551	4.2
285.04059	9.4
299.01978	10.7
300.02792	59.0
301.03571	100.0
302.03766	0.5
429.08798	3.8
447.09573	2.1
527.46051	0.6
564.41492	0.6
567.11530	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0295
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09402	0.1
66.10452	0.1
99.92589	6.9
107.01391	0.2
114.93396	0.2
116.92866	100.0
117.92879	1.1
119.05060	0.3
142.77600	0.2
151.00337	1.4
178.99907	0.3
195.08018	0.2
197.15654	0.2
255.02924	0.4
271.02487	1.0
271.06226	0.3
300.02753	2.0
301.03577	1.6
354.95486	0.2
447.09412	3.0
497.81378	0.2
542.74072	0.2
547.01941	1.1
565.15643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.0484
Annotation	UDP-D-galactose
Peak:m/z	Relative Intensity
55.65564	0.3
59.01381	1.7
61.57544	0.3
62.64532	0.3
62.96406	0.4
68.39195	0.3
78.95908	100.0
80.82970	0.3
96.96967	38.7
111.02021	9.7
115.35610	0.3
120.96977	2.1
136.04002	0.3
138.98013	4.0
145.61766	0.3
150.98024	3.9
158.08307	0.3
158.92554	17.9
174.98007	1.3
176.93585	1.3
192.99020	1.6
205.75151	0.3
211.00185	4.0
223.00151	0.3
241.01256	6.6
272.95724	4.6
280.02344	1.6
305.01849	0.5
320.97742	1.8
323.02908	39.6
384.98373	3.7
402.99472	0.7
471.78641	0.4
504.95587	0.6
565.04840	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.3597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56539	0.6
52.22311	0.7
54.83101	0.8
55.01897	6.3
57.03466	4.9
58.00618	1.4
58.80512	0.7
59.01386	62.0
61.98846	2.2
65.39715	0.8
67.25049	0.9
71.01384	32.4
71.01765	1.1
72.99324	1.2
73.02958	9.9
77.43604	0.8
78.95966	1.1
83.01402	9.0
85.02950	19.8
85.03384	1.0
87.00885	1.5
89.02479	4.3
95.01407	3.3
97.02936	0.8
99.00906	5.1
101.02450	27.0
111.00869	1.8
113.02457	13.9
119.03513	1.2
123.04503	1.1
143.10828	4.9
159.02959	2.1
161.04541	6.6
209.11853	1.0
313.27649	1.3
329.40427	1.0
343.28482	13.0
368.20245	1.1
505.33945	100.0
506.34656	1.5
565.33716	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	563.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56057	0.4
58.85540	0.4
59.01393	2.8
63.02396	0.6
63.57476	0.4
65.26981	0.4
87.00896	0.7
93.03443	2.0
93.06423	0.4
103.00374	0.8
107.01409	1.7
109.02979	0.6
112.25417	0.4
112.98853	1.0
135.00873	1.9
137.07626	0.4
143.04996	0.8
151.00386	0.5
153.01952	0.6
157.06656	0.5
159.04488	2.0
163.00357	3.5
167.04993	0.6
185.06097	2.8
187.04022	3.7
189.05653	0.9
195.04620	0.6
197.06172	1.6
199.03975	0.7
211.03975	3.7
213.05644	2.4
227.03548	16.9
229.05081	16.1
239.03516	1.7
240.04373	0.8
241.05170	1.9
255.03032	35.0
256.03802	2.7
257.04605	6.9
267.02820	1.7
284.03308	45.5
285.04089	100.0
286.04443	0.6
360.62939	0.5
378.58160	0.6
431.09903	64.3
432.10403	0.5
451.78040	0.5
504.86865	0.5
563.10730	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.2636
Annotation	Morinol B
Peak:m/z	Relative Intensity
56.76452	5.8
59.01397	28.8
61.98833	29.4
74.40092	6.5
92.49608	7.7
223.88850	7.7
341.26822	13.1
362.44238	8.1
563.26312	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.3361
Annotation	8-Hydroxymanzamine A
Peak:m/z	Relative Intensity
58.82999	4.8
59.01386	7.0
61.98837	10.4
81.02685	5.5
92.10800	14.9
93.63971	5.0
95.76382	6.4
120.42253	5.3
123.04611	5.6
126.18253	6.3
147.04613	8.8
337.14514	26.0
527.19067	12.8
563.33411	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	564.1581
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84884	0.1
51.97548	0.1
56.94255	0.1
59.01385	11.9
60.83047	0.2
65.99877	0.2
71.01382	0.3
71.05023	0.7
72.96622	0.1
86.68469	0.2
87.04523	0.2
96.96021	0.3
99.04529	2.3
99.08157	0.7
103.00377	2.1
115.04025	2.2
115.07643	0.3
117.05585	2.2
123.00874	1.3
124.01662	4.7
138.01979	1.5
143.07141	0.8
153.00706	2.3
154.01480	100.0
155.01772	0.3
161.08206	24.0
203.09296	3.1
292.06116	0.2
316.06793	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	563.0715
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	0.1
59.01398	1.2
59.01634	0.2
65.00342	0.3
68.31184	0.1
71.01394	0.2
79.95734	1.9
83.01429	0.2
83.15742	0.2
85.02963	0.1
85.06575	0.2
96.96011	100.0
107.01399	0.7
113.06139	0.2
120.47144	0.1
124.01640	0.3
125.02412	0.7
131.07144	2.6
133.30569	0.1
149.02451	0.2
151.00368	2.8
151.04025	0.6
152.01175	0.9
154.06917	0.1
154.49243	0.1
159.51364	0.1
166.02693	0.9
167.03549	0.1
173.08162	0.6
177.01924	0.1
178.99884	1.3
188.94266	0.1
190.10130	0.1
192.00620	0.2
193.01480	0.3
215.03537	0.7
253.66797	0.2
269.08362	0.2
301.03632	1.8
313.09171	0.2
319.04462	0.2
339.07205	0.3
465.10507	1.4
563.23822	0.2
584.14508	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.66520	0.2
53.81031	0.2
59.01390	3.6
59.01642	0.2
63.02424	0.4
65.00356	0.2
72.99326	0.5
73.02989	0.3
81.58194	0.3
87.00917	1.3
87.73048	0.3
88.02209	0.3
89.02494	0.3
89.72680	0.3
91.01904	0.6
91.39632	0.3
93.03503	1.4
101.02478	0.4
101.79337	0.3
107.01423	1.8
109.02991	0.6
112.98850	0.6
119.05063	0.3
125.02370	0.3
130.99873	0.4
132.02174	0.3
135.00845	2.0
143.05028	1.1
151.00397	1.6
156.77367	0.3
157.06644	0.5
159.04515	1.2
163.00386	2.2
165.02022	0.4
167.05011	0.4
169.06628	1.1
171.04568	0.6
175.79099	0.3
182.35542	0.3
183.04347	0.3
185.06142	2.2
187.04024	3.1
189.05582	0.6
195.04517	0.5
197.06126	1.2
199.04060	1.3
200.04829	0.3
211.04037	2.8
212.04832	0.3
213.05580	2.5
215.03477	0.4
227.03546	15.7
229.05087	14.3
239.03506	2.3
240.04298	0.5
241.05078	1.8
243.03000	0.6
248.89519	0.3
255.03020	35.3
256.03802	2.4
257.02036	0.5
257.04599	8.0
267.02997	1.3
284.03305	48.2
285.04077	100.0
286.04422	0.5
300.02847	0.4
431.09875	51.9
432.10226	0.5
432.25601	0.3
501.10132	0.6
563.10449	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	561.0555
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27324	0.1
51.54679	0.1
53.15439	0.1
53.24362	0.1
54.57361	0.1
57.03466	0.1
59.01389	2.1
61.98853	0.1
71.01386	1.0
78.98060	0.1
79.95736	2.0
84.61807	0.1
85.48348	0.2
89.02443	1.0
92.10793	0.5
96.96014	100.0
101.02414	0.3
109.02931	0.2
113.02477	0.2
125.02448	0.3
125.03304	0.2
137.02451	0.4
151.00372	0.9
166.82251	0.2
178.99854	0.7
179.05731	0.2
203.03539	0.3
204.49783	0.2
214.02730	0.2
217.05057	0.6
229.05014	0.7
232.07433	0.2
242.02200	0.3
243.02869	0.2
244.07434	0.7
247.06209	0.6
249.84380	0.2
259.02496	0.2
259.09702	0.3
262.08469	0.6
270.01657	0.8
271.02551	3.3
277.10876	0.3
287.02048	1.2
315.98792	0.3
316.02295	6.7
317.03098	1.1
321.09863	2.5
456.09756	0.2
463.08853	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	561.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89508	1.2
54.83131	1.4
57.03465	3.9
59.01406	2.9
59.52224	1.7
71.01398	1.9
71.26657	1.3
81.03487	1.8
83.01410	9.3
88.95368	1.6
93.03479	2.4
95.01457	1.6
95.05041	2.0
95.54044	1.6
96.96052	7.2
97.02939	14.9
99.88443	1.7
107.05093	1.8
108.02166	1.9
109.02949	30.1
121.02984	9.0
122.03742	3.4
123.04520	25.7
125.02458	24.7
126.90402	2.6
133.03018	1.6
135.04607	5.4
135.08160	3.2
137.02446	20.5
139.04054	5.7
145.02969	1.9
149.02501	11.8
150.03258	2.0
151.00459	7.9
151.03984	15.8
159.04555	6.5
161.02432	3.1
161.06090	11.8
163.04004	2.3
163.54434	1.6
164.01222	6.5
165.01973	8.4
175.04059	3.2
175.07668	1.7
178.99895	3.5
179.03470	15.1
181.97499	1.5
187.04051	9.3
188.04848	2.5
189.05692	1.9
190.97038	1.7
201.05624	2.2
202.06297	2.2
203.07196	16.4
205.05121	13.3
207.03055	6.2
221.08247	2.7
227.07231	3.2
245.08241	26.9
247.06067	2.6
263.28732	1.9
289.07251	100.0
299.02109	1.8
300.02734	2.3
331.08344	3.5
351.08472	1.9
351.12790	2.2
437.12537	23.6
561.16071	11.3
573.42114	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	561.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61350	17.5
53.34081	16.6
53.40440	15.5
57.03484	23.6
59.01405	47.7
109.06628	47.9
153.03636	21.1
189.76598	24.5
207.10265	100.0
209.11848	28.0
225.11319	39.6
248.15903	20.1
265.02237	22.0
380.98450	25.5
463.23395	45.3
489.24823	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2923
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85517	2.8
59.01389	53.7
61.98832	18.3
62.15136	2.7
71.01379	24.5
73.02975	7.1
77.65286	2.9
83.01389	3.4
83.05037	6.4
84.02158	4.0
85.02951	11.6
89.02458	24.4
92.10062	3.8
96.96015	3.8
97.06561	4.7
99.11280	2.8
101.02440	21.1
113.02460	5.6
125.02473	20.9
125.09722	5.6
127.07630	11.5
141.09233	3.2
145.12862	3.2
151.00380	35.9
153.01901	5.2
153.09207	13.9
161.04543	4.2
163.11226	4.5
165.12904	4.1
166.02585	3.4
171.10242	20.0
178.99872	31.6
185.11816	13.5
191.14496	3.4
193.98167	3.8
197.11848	15.9
206.99847	19.5
209.11858	91.1
229.33952	3.5
238.11998	3.1
245.19261	3.4
253.09160	24.5
271.02444	3.6
284.03360	3.6
289.18088	13.6
299.01971	5.4
300.02744	15.4
307.19174	100.0
325.20328	50.1
341.05057	5.1
353.23022	5.0
397.09213	12.1
464.09436	6.8
474.21252	7.2
483.77161	3.5
501.31766	4.5
543.27893	13.9
561.16260	4.8
561.29382	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	562.1054
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	0.5
59.92582	0.4
61.50587	0.4
61.98832	100.0
71.01369	0.8
82.09082	0.5
85.02959	0.6
87.00848	0.7
109.02914	0.6
115.00341	2.5
125.40763	0.4
130.08716	3.2
135.04530	7.6
137.61609	0.5
148.05159	0.5
149.00943	3.3
149.06113	3.2
152.41982	0.5
155.02916	0.4
161.02470	3.3
172.09798	2.4
175.02466	2.8
175.03929	1.0
177.01828	0.6
179.03481	7.2
193.04916	0.5
219.02956	0.5
222.70517	0.6
233.04607	0.9
237.04077	2.1
277.03589	0.8
293.06482	0.6
337.05548	3.7
371.30905	0.6
455.12201	0.6
457.64676	0.5
499.11072	11.5
562.10468	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05590	1.3
57.03460	1.9
59.01395	30.5
59.22092	1.3
61.98848	2.2
64.35101	1.6
70.47485	1.4
71.01387	13.9
72.02182	6.7
73.02965	8.5
85.02953	1.5
87.04514	16.5
93.40711	1.5
95.23512	1.6
97.88621	1.4
111.08202	1.7
119.05025	1.9
123.04491	2.1
125.02527	1.3
131.13721	1.4
134.03734	2.5
137.09685	3.5
141.11780	1.5
149.06143	3.1
155.10774	23.2
193.16077	2.2
275.23975	2.8
296.81891	1.7
299.01929	2.5
313.03671	2.1
328.12970	1.5
337.23932	100.0
481.40234	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	560.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35916	0.3
54.19136	0.3
57.03455	0.4
59.01388	2.9
61.98833	100.0
62.34549	0.3
66.47633	0.3
66.95944	0.3
71.01367	0.6
84.15952	0.4
87.00834	0.4
100.29648	0.4
101.02456	0.5
103.23898	0.4
107.86227	0.4
109.02930	0.6
125.02374	0.9
151.00362	0.9
209.11826	2.4
219.15559	0.4
227.07095	0.8
239.07132	0.8
253.08807	0.6
255.06770	3.0
280.82886	0.4
408.93411	0.5
497.16013	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	557.2971
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55549	1.8
57.03464	2.5
59.01389	52.0
61.98844	3.7
71.01394	3.9
72.83391	1.9
73.02967	9.4
85.02998	2.9
86.71720	2.0
89.02477	2.4
92.10126	8.3
99.04520	2.8
109.02985	4.6
119.08699	2.3
121.02930	3.6
123.04539	3.7
125.02460	3.4
133.03001	2.5
135.04524	4.4
137.02441	2.4
137.55865	1.9
163.00661	2.0
177.02026	2.4
203.10240	2.0
255.21190	3.2
289.07306	14.7
335.22345	100.0
441.06653	2.5
463.10498	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4791
Annotation	Unknow
Peak:m/z	Relative Intensity
58.71702	1.3
59.57731	1.0
69.22458	1.1
84.60555	1.3
86.69629	1.2
92.10178	1.3
107.33523	1.3
227.20195	100.0
583.89197	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	14.0
59.01386	97.1
69.03474	0.6
71.01382	0.7
73.93864	0.6
75.28545	0.6
81.03457	5.3
83.01395	8.1
83.05030	1.0
93.03474	2.5
94.03645	0.7
95.05039	6.2
97.02945	7.1
99.04548	2.6
109.02959	26.6
109.03673	0.9
111.00912	3.6
113.06113	3.4
117.03440	0.9
121.02965	4.4
122.03730	0.8
123.04527	20.4
123.05364	1.1
125.02449	88.3
133.02982	1.3
135.04582	4.7
137.02457	27.3
137.06148	0.9
138.03267	0.9
139.04005	5.7
144.04579	0.7
145.02959	19.2
146.03784	5.2
149.02464	10.9
150.03221	1.0
150.06969	0.8
151.04021	12.6
152.74980	0.5
156.96841	0.9
157.06584	1.4
158.03712	0.9
159.04523	16.6
160.05261	1.2
161.02412	4.4
161.06093	13.1
162.03284	1.1
163.04012	0.9
164.01184	3.8
165.01942	4.8
165.12889	2.1
167.03522	2.5
167.10739	0.9
173.06064	2.1
174.03249	0.7
175.04007	3.4
175.07727	2.2
177.05597	1.0
179.03499	6.7
181.05072	5.8
181.06528	1.9
183.04564	3.7
185.06075	7.5
187.04027	11.5
188.04813	4.9
199.07671	0.9
201.05606	5.6
202.06476	5.6
203.07178	27.6
205.05093	10.3
207.13963	3.7
209.06148	3.5
209.11827	8.5
211.04027	3.7
212.04721	0.7
221.08269	3.7
225.05627	2.5
225.14993	9.8
227.03476	1.1
227.07127	8.1
227.12926	60.9
229.05058	4.8
230.02229	2.9
230.05876	3.0
245.05676	1.2
245.08205	33.4
247.06090	1.1
251.13025	1.1
253.05098	14.0
255.03120	0.7
256.03848	1.4
269.08313	0.7
269.13977	11.8
271.06152	38.9
279.99173	0.7
287.09338	10.3
287.15036	100.0
289.07211	78.5
331.08270	2.8
337.24039	1.2
371.18906	0.7
391.17554	2.3
395.18729	0.7
409.18768	3.3
421.18869	5.3
431.20966	0.9
437.20026	0.7
497.21793	3.5
515.23071	10.0
541.21014	0.9
559.15283	1.2
559.21991	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02984	7.3
53.86214	6.5
55.10758	6.4
57.03452	10.7
59.01382	74.7
61.98837	19.1
71.05037	11.9
73.02936	8.1
85.02964	16.9
91.82347	7.2
94.13206	9.1
94.98096	9.6
95.95190	6.7
101.50362	7.4
104.14157	8.1
116.38554	7.8
125.02420	8.1
127.11269	35.7
137.06087	10.0
177.01950	9.2
179.69342	9.2
213.15010	100.0
255.03062	13.6
257.04535	10.3
285.04089	12.5
335.22388	11.2
343.07947	33.1
369.74008	8.9
497.27646	17.7
535.53845	8.4
557.23926	35.2
557.33191	58.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72800	0.2
59.01386	3.9
61.98826	0.4
71.01041	0.3
71.01391	2.3
71.19688	0.3
82.33340	0.3
85.02939	0.7
86.39044	0.3
88.37370	0.3
89.02470	1.6
89.46932	0.3
92.10114	0.7
101.02447	1.4
113.02449	0.4
119.03544	0.4
122.16832	0.4
123.94469	0.5
125.02407	1.3
143.05052	6.0
157.06651	0.6
159.08160	2.4
182.07242	0.4
183.08203	3.1
185.06097	12.3
218.94849	0.4
225.05588	0.8
227.07184	100.0
228.07532	0.8
389.12646	2.6
458.84418	0.4
521.16736	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	557.1522
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.2
59.01386	51.3
67.37947	0.4
71.01382	0.9
71.05017	4.2
72.99307	8.4
73.02959	1.0
85.02954	18.6
87.00883	0.8
87.04521	1.9
91.31247	0.4
92.10142	1.0
92.29385	0.4
96.95961	0.5
99.04525	12.9
99.08144	3.5
101.02436	3.7
103.00383	8.7
103.04031	1.0
113.06152	0.4
115.04002	6.0
115.07674	0.5
117.05585	8.4
117.51707	0.4
125.02494	0.5
127.19095	0.5
129.01945	12.3
131.06186	1.6
133.03000	0.7
133.15378	0.4
134.03766	0.8
135.04532	32.6
142.44576	0.5
143.07169	3.8
145.01527	0.6
147.03015	60.6
148.60802	0.5
149.46857	0.4
161.08209	100.0
163.02464	0.6
175.05177	0.8
177.01964	0.5
178.29782	0.5
179.03508	22.6
203.07530	0.8
203.09293	14.8
218.05902	0.5
232.16106	0.4
261.07471	0.5
309.06296	1.0
354.07526	0.5
504.84265	0.5
514.16406	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.1318
Annotation	Unknow
Peak:m/z	Relative Intensity
53.31537	0.9
67.01900	6.9
71.01381	12.6
79.49160	1.1
84.36662	1.1
92.10775	1.7
92.66240	1.2
93.03452	1.3
96.96032	8.5
99.97454	1.0
110.02488	59.5
111.00888	9.2
114.39768	1.0
115.00367	20.7
115.42665	0.9
120.04548	1.8
138.05577	1.1
144.89615	1.1
164.03525	5.4
182.02184	1.8
182.04593	31.9
182.06081	2.0
197.04478	2.3
208.02570	2.6
226.03607	100.0
227.03819	1.1
246.73091	1.3
321.79291	1.1
355.34152	1.3
359.09912	2.0
393.37372	1.3
473.21265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98840	100.0
90.76759	0.9
99.05833	0.9
251.88908	1.0
257.40045	0.9
335.80377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13731	0.4
59.01381	1.7
60.99414	0.4
61.98835	100.0
71.11327	0.5
83.94345	0.5
84.20573	0.4
110.81417	0.4
116.51498	0.4
133.02451	0.5
148.16562	0.4
260.81650	0.5
384.20001	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98352	0.3
53.45503	0.3
57.28223	0.3
59.01388	0.7
61.98839	100.0
74.00821	0.4
87.19971	0.4
88.82595	0.3
113.61234	0.4
119.73750	0.4
130.64603	0.4
139.15816	0.4
234.82965	0.4
234.85773	0.4
260.85938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2853
Annotation	Chaetoglobosin M
Peak:m/z	Relative Intensity
59.01394	1.5
61.98843	6.0
63.96264	0.9
71.01399	8.3
73.02940	2.4
78.98598	6.3
79.95741	11.8
80.96523	71.2
81.03449	0.9
85.02973	3.2
87.00899	1.1
87.90786	0.6
94.98089	18.2
96.96087	1.0
99.00876	0.8
100.70026	0.7
101.02454	2.8
106.98128	4.8
122.97597	3.4
125.02448	3.5
127.85828	0.6
134.97566	5.5
136.99132	1.1
148.99156	7.9
152.98685	4.6
162.79187	0.8
164.98653	16.1
206.99730	3.5
225.00786	16.3
255.23431	3.2
294.09006	0.8
299.04456	3.4
555.28595	100.0
556.28815	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	556.1104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35055	0.1
53.61369	0.1
59.01395	0.3
61.16104	0.1
61.98844	100.0
88.70995	0.1
90.60484	0.1
124.73160	0.2
255.02881	0.2
273.30624	0.2
283.02502	0.2
351.45349	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	0.8
59.01384	100.0
61.98830	1.1
65.39845	0.6
71.01379	22.8
72.99329	1.2
73.02962	1.1
83.01377	0.9
85.02933	5.7
85.50796	0.7
87.00883	1.5
88.98813	0.8
89.02442	30.7
95.01392	0.9
101.02434	12.1
109.02991	1.5
113.02430	9.2
119.03486	13.4
123.04527	0.9
125.02435	4.1
131.03438	1.2
131.46696	0.7
134.03716	4.8
135.04521	3.1
137.02472	0.8
141.01732	3.8
143.03458	1.6
149.06169	0.9
151.00372	0.8
151.03973	1.0
161.02469	0.9
161.04587	3.6
179.05635	12.1
249.09267	1.0
289.07327	1.8
300.65170	0.9
317.08228	1.1
359.43625	0.9
405.09964	7.0
527.78339	0.8
555.16156	1.0
555.31757	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	555.203
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	7.4
61.98844	3.7
73.71317	1.5
88.98813	2.2
93.03474	13.0
97.14812	1.7
100.21241	1.8
108.02189	22.0
119.05028	32.6
120.44733	1.6
123.04537	23.6
134.03748	100.0
149.06088	58.5
149.20477	1.9
149.26411	1.8
173.02443	2.5
176.30473	1.6
237.05542	2.7
238.06398	38.8
239.03342	2.5
251.07132	10.6
252.07867	17.6
265.05087	6.7
266.05850	16.1
266.08405	2.3
267.06464	2.5
279.06577	4.2
280.07449	3.7
281.08206	85.5
295.06561	3.3
295.09769	36.3
296.06860	2.3
325.10873	2.2
377.06769	3.3
431.15112	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.203
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41896	0.8
59.01395	4.6
61.98840	1.0
67.51465	0.8
73.02962	0.9
86.04808	0.9
93.03460	31.5
93.38958	1.0
97.04572	0.9
108.02187	10.6
109.02974	1.5
117.03500	7.1
119.05029	4.5
123.04522	13.8
133.02945	2.1
134.03746	100.0
135.04488	1.7
137.91714	0.9
145.03014	1.6
147.04555	1.3
149.06097	64.2
151.04024	1.7
154.98924	0.9
160.01685	1.2
165.05548	1.7
174.03262	1.1
175.04008	8.8
209.06172	1.6
212.04855	23.0
225.05571	6.7
225.66205	1.0
226.06381	22.9
237.05583	1.8
238.06485	2.1
239.07077	1.3
240.04324	4.0
241.05145	1.3
251.07272	1.3
252.04018	1.0
253.05103	10.8
253.08780	8.5
254.05878	5.1
255.06686	37.7
257.00903	5.2
264.04202	1.0
265.05191	1.3
267.06607	10.5
268.07510	9.9
269.08249	47.1
273.65759	1.1
281.04578	4.6
281.08264	6.3
282.08960	1.3
283.09756	10.5
295.06165	6.3
296.06772	5.9
309.07898	1.6
310.08521	1.6
311.09357	29.5
325.10880	11.1
377.06732	5.6
405.13531	30.9
419.15100	17.1
431.14948	3.8
461.16080	25.4
555.20673	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	555.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53955	1.7
55.51212	1.6
57.04890	1.8
59.01390	9.7
59.81323	2.1
61.13694	1.6
61.98830	4.1
65.00344	3.6
74.06903	1.8
77.37208	1.8
80.27348	1.7
93.03468	17.2
97.06556	2.5
108.02187	13.6
109.02951	2.0
112.69585	2.2
119.05027	14.1
121.02946	3.1
122.03856	2.1
123.04536	25.1
131.01404	2.7
134.03751	100.0
135.04544	55.3
139.91304	2.2
142.19324	2.5
143.05040	8.4
145.03008	17.7
149.06104	62.2
151.00421	2.5
155.07050	2.4
161.02454	3.1
175.00435	2.9
183.04489	9.9
187.04100	7.7
199.04083	2.4
201.05591	11.5
211.04015	11.1
225.05682	2.8
227.03543	3.6
238.06175	5.0
239.03485	3.0
240.04225	4.0
251.07207	3.2
253.04984	4.6
255.03040	43.3
267.03116	2.8
268.04132	2.7
269.04544	11.2
281.04602	8.5
281.08157	13.0
283.09833	2.9
295.02710	3.4
295.09671	4.9
311.05731	39.2
405.09885	44.0
419.11453	15.5
431.15140	10.1
461.12534	89.7
555.16760	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.1363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.6
57.03445	0.9
59.01385	44.2
60.99313	3.9
64.34410	0.6
71.01381	15.6
72.99307	0.8
73.02953	0.7
76.29602	0.5
77.53288	0.7
83.01413	1.4
85.02964	3.7
87.00874	100.0
88.98802	19.8
88.99342	0.9
89.02441	17.1
89.99934	0.6
92.10076	0.6
93.64000	0.7
96.96024	1.3
99.00891	0.7
101.02428	10.3
104.46686	0.7
107.01395	0.7
113.02457	5.5
119.03503	3.6
121.02913	1.3
125.02470	1.2
131.07126	1.0
151.00395	2.5
151.04004	1.2
152.01099	0.8
161.04736	0.7
166.02737	0.7
168.23885	0.6
173.06093	3.1
178.99869	1.0
187.07616	1.2
188.04727	1.4
193.03300	0.6
197.06122	1.5
199.04034	1.2
199.07689	2.4
200.04773	3.2
201.05627	1.0
213.05612	0.8
213.09149	0.7
215.03667	0.9
215.07169	38.3
217.05122	1.3
223.07683	1.0
225.11346	3.0
229.05069	0.9
241.08711	5.0
243.06650	34.2
243.09143	1.2
251.07069	0.8
259.09604	0.7
267.06473	1.3
269.08188	5.8
285.07715	2.6
301.03574	1.1
423.13086	3.7
475.12311	0.7
493.13519	3.2
493.51462	0.8
495.11472	2.9
495.24536	1.0
555.13660	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77266	1.1
54.08627	1.1
57.03467	1.2
59.01386	1.9
61.98831	2.9
63.38600	1.3
63.76990	1.1
65.00346	1.3
67.64687	1.4
68.57320	1.3
71.11066	1.3
73.85923	1.3
93.03468	22.4
134.03737	1.6
135.04533	100.0
151.00397	7.0
161.02429	1.4
216.47276	1.4
230.64124	1.5
267.02979	2.0
268.03796	3.5
279.06802	5.8
287.05661	3.2
294.08759	1.6
295.02469	3.0
311.15088	1.7
325.07285	26.5
356.90430	1.4
391.48196	1.8
419.11404	16.6
461.12387	17.6
555.16925	12.2
559.77893	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40165	1.0
57.14079	1.0
59.01390	5.4
59.32162	1.1
71.01394	1.3
75.17782	1.1
87.00883	55.5
96.96006	7.6
101.97393	1.1
121.02943	1.9
125.02454	2.1
146.03754	2.1
150.03270	12.4
152.15712	1.4
159.04553	1.6
160.05313	2.7
161.06068	2.7
165.05563	13.8
169.06528	1.4
171.04463	2.2
172.05231	1.5
173.06097	2.8
174.03246	17.5
175.04028	2.0
180.04233	1.5
182.02179	3.0
185.06102	5.0
185.17790	1.3
187.04024	2.8
188.04808	50.1
189.05586	61.8
191.03458	1.7
195.04596	1.2
195.06602	6.8
196.05261	1.4
197.04547	4.7
197.06084	5.5
199.04015	11.6
202.02771	1.6
204.42191	1.5
213.05576	17.1
215.07097	2.4
216.04315	1.9
217.05083	100.0
225.05565	6.8
226.02763	6.8
227.03525	6.9
233.04649	1.6
240.04332	2.0
241.05089	23.2
243.06604	1.6
251.03441	1.3
257.04669	2.8
259.06058	6.7
261.04089	17.0
269.04623	11.4
271.02399	4.6
285.04062	2.4
287.05649	6.1
297.82471	1.5
303.05130	5.8
313.03635	10.5
331.04752	4.7
349.05725	2.9
375.03415	1.6
393.04718	52.1
393.12192	2.9
423.08978	1.4
555.10022	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	555.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47320	0.6
57.03459	1.3
58.00613	0.7
59.01385	44.3
60.99305	5.6
64.10278	0.7
71.01380	17.2
72.44316	0.8
72.99337	0.7
76.92657	1.0
80.04569	0.7
83.01399	1.6
85.02975	4.2
87.00877	100.0
88.98804	30.9
88.99344	1.4
89.02441	15.8
92.92796	0.7
95.01406	1.3
96.96019	1.3
101.02424	10.4
107.01389	0.8
113.02454	5.2
116.92850	0.9
119.03507	3.1
121.02975	1.2
125.02450	0.9
131.07118	1.5
151.00389	5.5
152.01172	1.1
173.06172	1.7
178.99841	1.6
183.42657	0.7
187.07657	1.3
188.04846	1.7
197.06154	0.9
199.07655	1.3
200.04791	1.1
201.05600	1.0
214.06387	1.0
215.05151	1.6
215.07167	40.8
215.09236	1.4
216.59348	0.7
217.05116	1.0
225.11388	1.5
241.08800	5.4
243.06645	34.9
257.08157	1.7
267.06946	0.9
269.08282	6.0
280.84735	0.9
285.07700	4.4
301.03516	1.1
376.60516	0.7
383.55386	0.9
423.12894	2.7
465.09982	1.0
493.13638	3.0
495.11520	3.4
555.13678	88.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	0.7
61.57812	0.6
61.98841	1.3
78.95906	24.7
113.75888	0.8
125.56007	0.7
129.65144	0.8
152.48970	0.9
152.99583	4.0
168.04338	5.3
224.07022	11.1
279.23346	100.0
280.23642	0.8
451.90979	0.9
498.43500	0.9
504.31079	56.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	19.3
61.98845	2.7
73.50788	0.4
78.70718	0.5
78.95904	15.6
80.96525	0.5
101.97765	0.4
103.79567	0.4
127.62611	0.5
152.99579	2.6
159.21794	0.5
168.04337	3.8
194.57538	0.4
224.07004	7.6
242.08070	0.9
255.23338	100.0
256.23727	1.8
267.10187	0.8
407.07147	0.5
480.31064	51.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77687	2.8
59.01391	18.9
61.98838	14.4
75.52340	2.6
78.95900	3.8
112.31353	2.9
122.49259	2.8
145.23729	2.9
165.02908	2.8
175.30794	2.6
187.27431	3.1
207.03758	3.2
208.83441	2.9
255.23357	100.0
293.28317	2.9
461.73273	3.2
480.30933	33.6
516.15729	3.6
570.17792	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	555.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65622	0.4
57.03465	0.4
57.26163	0.3
59.01380	3.9
60.99314	18.7
65.00335	2.3
71.01380	0.9
81.41470	0.6
83.01391	0.9
87.00888	6.1
88.98815	100.0
90.82291	0.4
97.58487	0.5
107.01385	3.4
123.00903	0.5
125.02425	2.9
143.46635	0.5
149.02496	0.6
151.00388	14.4
151.04004	2.1
152.01190	4.6
156.15187	0.4
166.02797	4.1
167.03477	2.0
178.99890	7.0
179.01323	0.7
179.03581	0.5
192.00629	0.7
193.01408	2.4
215.03505	2.9
215.07121	2.6
243.06619	2.0
245.42628	0.5
283.02554	0.8
301.03595	6.9
313.09265	0.9
339.07205	1.8
352.84128	0.5
390.76440	0.5
465.10376	7.2
517.11633	0.5
555.13647	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	553.3238
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	7.0
58.17311	1.2
59.01383	27.4
59.69663	1.1
61.77858	1.1
67.31036	1.0
71.01396	8.5
73.02950	1.3
85.02957	4.5
88.98828	1.8
89.02447	6.3
101.02440	4.8
113.02469	2.8
116.92871	1.3
119.03520	1.8
125.02431	2.4
144.07901	1.5
169.01363	1.3
179.22935	1.4
183.13939	1.8
189.20192	1.5
190.76370	1.3
203.90836	1.5
208.88873	1.3
242.38226	1.4
270.55554	1.6
313.23969	8.6
330.69159	1.6
331.24963	100.0
345.26654	1.7
373.26486	1.7
406.50885	1.4
448.71011	1.3
473.32675	1.6
493.30176	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	553.3754
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	100.0
61.74720	8.1
66.67753	7.3
94.53176	7.4
103.57622	6.6
104.38990	8.5
112.81768	7.5
205.39424	7.7
298.47504	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	553.3761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79060	0.9
56.72721	1.1
59.01389	100.0
61.98848	2.3
62.07957	1.3
73.34124	1.1
123.04523	2.0
136.05312	5.5
137.06100	9.5
248.32834	1.5
373.06778	1.6
433.33188	1.8
451.34348	32.9
493.35611	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	554.3029
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73932	0.4
55.37473	0.4
59.01397	2.6
61.98835	2.5
78.95910	6.7
90.37823	0.5
90.74048	0.6
99.53507	0.5
132.06982	0.6
152.99551	0.6
168.04298	0.9
242.07971	0.9
279.23312	100.0
280.23727	1.0
397.01596	0.6
504.31049	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.3242
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	4.3
59.01381	37.8
59.08942	2.8
71.01403	15.7
73.02958	4.7
85.02973	6.1
89.02447	3.5
98.44805	2.9
101.02454	5.9
113.02461	5.0
116.92849	4.8
125.02428	20.9
139.03926	2.9
162.19868	2.9
211.27641	3.0
214.72321	3.7
313.24017	4.1
331.21329	5.2
331.24988	100.0
347.20840	4.0
352.24344	3.4
355.48477	4.1
373.25970	5.6
493.30411	27.1
562.54053	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	553.2511
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.03453	17.4
58.00610	0.9
59.01384	68.3
60.73870	0.5
60.99336	1.0
69.03471	2.8
71.01381	19.1
72.99306	1.0
73.02953	16.1
83.01403	3.5
85.02961	8.7
87.00880	4.1
87.04530	1.3
88.98812	6.6
89.02443	14.6
95.01390	1.2
97.02947	2.8
98.52571	0.6
99.87078	0.8
101.02449	19.4
103.04014	13.6
107.01442	1.1
109.02993	1.7
113.02484	3.0
114.56596	0.7
115.04070	1.3
119.03516	6.0
123.04585	1.1
124.01689	1.1
125.02450	14.0
125.09700	2.9
127.03997	1.1
131.03484	3.7
136.01610	0.8
137.02460	1.6
143.03531	4.3
144.36142	0.7
145.05075	2.7
151.00385	8.7
152.01158	1.7
163.04874	1.3
163.06140	27.6
164.01183	1.3
169.01439	0.9
178.99895	8.0
185.11848	61.2
204.04396	0.8
205.07164	5.6
209.11815	6.3
214.02739	6.2
215.03403	0.8
227.12852	1.0
242.02248	5.6
243.02913	3.1
247.08284	6.1
259.02499	5.1
265.09311	0.9
270.01721	8.4
271.02533	37.1
272.02832	1.2
287.02069	24.9
288.02649	3.3
307.10385	13.1
316.02280	100.0
317.02975	17.4
373.18958	1.0
380.76178	0.7
419.16968	1.4
463.08914	80.3
464.09302	6.6
493.22879	5.8
553.32861	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	553.1573
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25177	1.0
56.39866	1.2
57.03460	1.4
58.43429	1.2
59.01388	21.2
60.99311	18.1
60.99588	1.6
64.34701	1.1
71.01374	9.3
72.99308	1.4
73.02979	1.4
85.02967	5.5
87.00862	1.3
88.98808	100.0
89.02470	5.2
101.02477	5.1
109.81184	1.4
113.02460	1.4
116.92892	4.8
125.02493	2.0
137.02539	1.5
149.00960	1.6
221.33131	1.3
275.85681	1.3
331.24924	33.5
427.70831	1.3
493.30624	15.8
553.08130	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	553.1939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	6.9
57.03465	4.9
58.00620	1.2
59.01386	44.5
69.03467	1.9
69.91565	0.9
71.01382	60.5
71.05336	1.0
72.99314	2.4
73.02944	28.0
73.03352	1.2
75.00900	1.5
75.67816	1.0
75.89207	0.9
79.43112	0.9
81.03447	1.5
82.90015	1.0
83.01394	13.0
85.02961	31.4
85.03456	1.6
87.00891	5.4
88.98808	2.0
89.02459	11.8
92.10748	2.4
93.03499	1.1
95.01399	4.1
96.96006	1.9
97.02969	5.5
99.00867	10.6
101.02445	35.3
113.02470	24.3
115.04041	2.1
125.02441	7.7
135.04536	1.5
143.03429	1.4
159.02983	2.3
161.04594	15.4
165.01984	1.1
233.06602	1.8
292.32693	1.0
293.08887	3.9
313.23883	6.0
318.10733	1.2
329.23529	1.5
331.24973	100.0
353.23175	1.0
355.24933	5.4
361.13043	23.1
419.61261	1.2
493.17285	82.1
507.18896	8.2
532.00165	1.2
553.27679	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12056	0.6
59.01382	2.1
60.99318	14.1
65.00353	0.9
71.01376	1.2
82.93510	1.0
88.98804	69.5
100.59041	0.8
107.01428	1.7
108.02212	1.5
109.02963	1.3
121.02960	3.5
125.02428	1.1
133.40648	0.8
135.00923	1.0
148.01688	0.8
151.00378	11.3
163.00360	1.7
166.54123	1.1
169.01419	0.9
178.99855	6.4
215.03658	0.9
227.03569	2.0
243.03055	13.0
245.04637	1.6
254.02321	1.9
255.02979	29.7
271.02496	58.3
272.03040	1.1
273.03842	1.1
298.01328	0.9
300.02774	91.0
301.03574	37.3
342.31696	0.9
463.08920	100.0
464.09543	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39470	16.3
52.23619	16.1
57.97834	19.1
59.01394	100.0
61.81681	19.1
61.98847	34.0
63.42227	19.3
63.43611	17.8
80.34049	18.7
81.46895	22.6
88.99925	22.2
137.09593	20.8
151.01559	21.3
170.96994	23.2
217.28719	23.5
231.09116	26.0
270.39960	22.9
297.66052	22.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3444
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	14.2
66.81416	0.5
71.01391	2.5
71.22270	0.4
83.01393	0.6
83.13813	0.5
84.60715	0.5
89.02457	2.6
101.02476	2.3
113.41069	0.5
119.03510	0.9
123.94788	0.5
189.09338	0.5
235.08397	1.0
253.09329	8.5
255.23341	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	552.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98013	0.9
58.43271	1.2
59.01406	1.9
61.98844	5.5
78.95906	28.0
90.54821	1.3
98.82820	1.2
115.02095	1.2
125.78582	1.2
149.97211	1.3
152.99559	2.4
168.04309	4.8
173.35048	1.2
178.56204	1.2
192.29927	1.2
204.84509	1.2
224.07013	9.8
233.86774	1.2
242.08023	2.0
253.21770	12.0
277.21753	100.0
278.22308	2.0
502.29556	66.8
503.30054	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	552.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01403	4.5
61.76969	0.6
61.98841	7.0
66.78712	0.7
69.87570	0.7
78.95898	6.8
84.99089	0.7
107.35288	0.8
118.84366	0.9
148.72649	0.7
224.07057	1.0
242.08090	1.6
269.08521	0.8
277.21774	100.0
278.22217	1.5
347.09637	0.9
502.29526	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	553.0842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53658	0.5
55.36035	0.4
57.03468	0.9
59.01392	3.8
60.97004	0.5
60.99318	3.0
65.00342	0.5
67.25623	0.5
71.01394	1.0
83.01393	0.8
85.02956	0.9
88.98810	9.4
101.02435	1.1
104.44582	0.5
105.64674	0.5
107.01416	1.2
109.02980	1.0
117.35831	0.5
119.63306	0.6
124.01678	2.3
125.02461	1.0
137.02455	3.9
143.29486	0.5
151.00383	6.3
152.01189	0.7
163.00380	2.1
163.06172	1.0
164.01151	1.2
169.01418	1.1
178.99823	6.1
183.63849	0.5
185.11842	2.8
203.03587	0.6
214.02769	6.1
227.03568	0.8
232.03703	0.6
238.47807	0.6
242.02257	5.8
243.02814	1.8
259.02460	4.1
270.01749	6.1
271.02527	36.9
287.02032	21.1
288.02802	0.6
300.02826	2.3
307.10544	0.7
312.63959	0.7
316.02283	100.0
317.03049	17.0
343.29614	0.7
399.83151	0.6
463.08929	73.4
464.09521	0.8
578.20624	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2145
Annotation	Alangilignoside D
Peak:m/z	Relative Intensity
55.01892	3.1
57.03451	2.1
58.00608	0.9
59.01385	57.4
59.26272	0.7
63.25723	0.8
65.74387	0.8
71.01380	27.4
72.99308	1.4
73.02956	4.1
83.01389	4.9
85.02950	11.5
87.00903	1.5
89.02437	16.0
93.03448	0.8
94.95568	0.8
95.01379	1.5
96.31318	0.8
99.00900	1.3
101.02446	15.2
111.00874	4.1
113.02455	7.4
119.03506	4.8
124.01682	3.9
125.02457	1.9
139.04010	4.6
148.92204	0.8
159.04489	1.1
163.95746	0.9
173.06100	3.5
187.07568	1.1
189.05568	1.1
191.07118	1.4
199.03703	0.9
223.04684	0.9
227.07121	8.9
241.57890	0.9
248.85333	0.9
253.05182	1.7
255.06682	1.6
256.03897	5.9
258.50238	0.8
269.08084	1.1
271.06085	5.6
279.06711	1.8
283.06131	2.0
290.96655	0.9
295.06009	1.8
296.06778	0.9
297.07755	1.6
298.08649	1.3
299.09543	0.9
309.07614	1.4
311.09338	3.6
325.10864	1.4
326.08038	3.1
328.09650	1.7
329.10355	3.7
334.33786	0.8
341.10330	13.0
343.11905	4.8
344.09097	3.5
356.08728	1.0
356.12747	5.2
359.11377	20.2
371.15073	3.9
374.13718	27.8
389.16150	47.5
536.19171	1.1
551.21466	100.0
552.21539	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1629
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82780	0.5
51.63419	0.5
54.59177	0.4
59.01385	32.0
71.01380	10.7
73.02947	0.5
74.19243	0.5
74.52268	0.4
83.01400	0.6
85.02962	3.1
87.00873	0.9
88.98801	0.5
89.02438	14.1
96.96021	1.2
101.02446	6.2
108.02183	31.2
113.02460	4.6
116.46156	0.6
119.03481	5.0
121.02969	2.1
123.04528	71.3
149.01016	0.5
152.01187	2.3
165.05464	0.6
166.02696	0.6
167.03511	100.0
209.04588	7.2
239.05753	0.9
269.06747	5.1
329.08829	34.2
380.81805	0.5
398.79355	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.1781
Annotation	Foliachinenoside A2
Peak:m/z	Relative Intensity
53.69677	0.2
59.01386	4.2
67.27941	0.2
70.43850	0.2
71.01382	3.8
73.02934	0.4
83.01402	0.5
85.02975	1.5
89.02471	1.4
92.10099	0.5
101.02467	2.4
107.23651	0.3
113.02460	1.6
116.92879	0.9
119.05061	0.6
119.91135	0.3
121.02946	0.3
123.04624	0.3
125.02460	1.3
133.02988	0.4
135.04550	0.3
141.07130	1.2
143.05035	7.3
145.02946	0.3
157.06630	2.2
159.08170	3.0
161.04584	0.4
163.90683	0.3
168.05763	0.3
177.01941	9.2
179.29956	0.2
181.06566	1.4
182.07343	1.1
183.08168	3.7
185.06097	15.9
218.30586	0.2
225.05682	0.4
227.07176	100.0
228.07513	1.0
370.10739	0.3
389.12326	2.0
408.60846	0.3
551.17865	24.5
562.82318	0.3
578.09869	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76284	1.9
57.03448	15.8
59.01391	11.9
63.25917	1.7
71.01408	4.9
73.02986	2.1
75.69308	2.0
81.03474	2.5
83.01415	4.9
85.02943	2.9
93.03442	2.2
95.05049	3.6
97.02967	12.5
101.62047	2.1
107.64275	2.3
109.02955	29.2
109.06577	3.5
111.00919	2.5
117.25102	1.7
118.83886	1.9
120.39001	2.0
121.02984	5.0
122.03760	4.9
123.04523	21.5
124.05315	3.2
125.02438	68.6
125.03305	3.5
132.70863	2.6
135.04523	4.9
136.07005	2.3
137.02443	33.6
137.06108	2.4
139.04010	3.3
139.07697	25.1
145.02986	19.6
146.03700	2.3
149.02469	9.3
149.06076	3.4
150.03151	2.8
151.00389	3.4
151.04019	13.7
159.04512	14.9
161.06093	11.6
164.01257	4.7
165.01984	3.3
165.57703	2.2
175.07671	2.9
177.01944	4.4
179.03525	3.7
185.06052	4.3
187.04024	12.2
187.11324	3.9
188.04839	2.7
203.07156	20.9
205.05093	12.0
205.12372	10.9
221.08130	2.6
227.07091	5.3
230.05893	2.5
245.08221	26.7
253.05048	4.2
271.06152	33.2
279.12448	18.2
289.07227	100.0
289.10483	3.5
310.04779	2.2
329.23373	10.6
341.06586	3.8
353.23477	17.1
507.20575	3.1
551.19220	11.0
551.26855	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	551.1205
Annotation	Luteolin 7-(6''-p-benzoyglucoside)
Peak:m/z	Relative Intensity
55.01889	0.4
56.77953	0.4
59.01391	3.3
61.98851	1.1
63.02414	0.7
65.00337	0.7
71.01376	0.9
83.01380	0.5
85.02981	0.9
91.01903	0.7
93.03448	3.6
96.42523	0.5
107.01425	4.1
109.02975	2.1
125.02415	0.9
135.00864	0.9
137.02455	1.2
143.05031	2.0
145.02946	0.7
149.26129	0.5
151.00375	2.9
157.06558	1.0
159.04485	2.8
163.00386	1.2
165.01956	0.7
167.05034	1.0
169.06586	1.9
171.04439	1.0
173.02354	0.7
178.99899	2.4
183.04500	0.7
185.06111	3.7
187.04021	5.4
189.05565	2.4
195.04495	0.9
197.06117	1.2
199.04050	1.0
201.05760	0.7
209.11800	2.5
211.04007	3.8
213.05591	2.7
227.03563	6.0
229.05095	19.6
239.03503	1.2
240.04318	0.7
241.05089	2.9
255.02994	6.4
256.03723	0.8
257.04608	9.3
267.03070	1.2
268.32486	0.5
283.02393	1.8
284.03284	3.9
285.04086	100.0
328.10666	0.9
339.25574	0.6
402.99683	0.6
476.06726	0.5
505.33908	2.0
551.12671	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	549.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41002	0.2
57.92308	0.2
59.01389	3.8
63.68440	0.2
71.01391	0.3
74.35021	0.2
75.00867	0.2
78.95903	2.9
79.95733	1.6
82.95418	0.3
84.95152	1.4
91.43822	0.2
96.96012	100.0
96.96900	5.6
101.02438	0.2
138.32158	0.2
141.01723	0.9
179.84488	0.2
245.91057	0.2
294.99765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49997	1.4
53.88531	1.4
57.03439	2.4
59.01388	100.0
68.61361	1.8
71.01371	9.3
72.99312	32.9
75.00864	8.4
80.11436	1.6
83.01382	1.8
84.99303	1.7
85.02934	9.2
87.00882	40.4
89.02448	3.0
95.15574	1.7
96.95995	9.3
101.02425	3.7
103.00392	22.5
106.12522	1.5
112.98795	17.6
113.02428	3.0
119.04958	1.9
121.02937	2.8
130.99840	3.7
140.75632	1.9
161.04567	2.4
163.04018	2.0
165.05522	3.5
166.06354	20.8
181.08763	18.9
183.42622	1.9
387.16595	6.3
417.17603	3.5
549.18188	88.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.2483
Annotation	Tigloylseneganolide A
Peak:m/z	Relative Intensity
50.46125	4.8
53.86789	4.7
55.20124	4.7
55.54396	4.5
56.58360	4.8
59.01383	38.8
61.98838	8.9
63.87710	4.6
71.01388	6.4
85.02941	6.7
89.02458	22.4
101.02406	6.7
111.62009	5.8
149.04507	5.6
193.68768	6.0
209.11856	6.1
322.89554	5.9
335.34729	6.8
419.74200	6.5
513.27240	48.5
549.24872	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	549.2847
Annotation	Unknow
Peak:m/z	Relative Intensity
57.84621	50.5
61.98847	70.5
108.42875	58.1
122.29537	74.7
134.59819	56.0
163.00296	54.8
169.19919	56.1
277.21771	100.0
406.75958	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1051
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.2
61.98852	0.5
73.57597	0.5
77.03970	2.2
88.98824	0.5
97.33575	0.5
116.92812	0.5
121.02964	100.0
148.93777	0.6
165.01942	30.5
177.23679	0.5
181.06651	1.3
197.06110	3.4
225.05678	1.2
235.86118	0.6
242.43912	0.6
313.07281	0.8
417.09686	2.0
505.11435	0.8
549.10468	19.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84681	1.1
57.03421	1.4
59.01385	27.5
59.17690	1.0
61.98838	1.2
67.01872	1.1
71.01379	14.8
73.02930	4.7
85.02925	7.7
87.04494	1.2
87.97183	1.2
88.69325	1.0
89.02421	8.9
101.02444	10.2
108.02208	9.6
113.02431	4.4
114.39858	1.2
115.17937	1.2
116.92807	1.8
117.05469	1.0
119.03498	2.0
123.04516	2.5
125.02383	1.8
134.02840	1.6
134.03761	34.1
136.00720	1.2
136.01669	29.4
137.00461	1.3
139.03987	2.0
149.02405	5.0
149.06088	32.7
150.03244	17.9
151.04021	100.0
158.25961	1.2
164.09230	1.2
165.05586	60.4
171.10243	1.6
171.68747	1.1
197.06154	1.1
211.13388	6.1
225.05537	2.0
229.14362	6.7
241.08742	7.5
255.10271	1.7
271.06158	1.3
301.10828	57.6
327.18140	1.7
327.21820	35.2
343.81241	1.2
387.27609	12.6
549.32959	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.1027
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03445	1.4
59.01384	8.8
71.01402	7.6
79.18267	1.1
87.00905	1.9
89.02466	2.4
90.61370	1.3
101.02454	2.8
108.02155	1.9
111.00896	1.8
113.02430	2.6
115.76122	1.3
123.00851	1.5
123.04451	1.6
125.02456	1.5
126.78830	1.1
129.02051	1.3
131.04961	1.6
134.03745	7.9
135.04485	1.4
137.02452	2.1
148.05328	28.4
149.06087	2.5
150.03227	1.4
160.01660	1.9
160.07718	1.2
161.02452	8.2
162.03227	22.1
163.02576	1.4
163.03940	2.5
163.07532	2.2
164.04782	9.0
175.02467	6.2
175.03990	6.8
176.04810	1.8
177.05594	39.2
187.04025	1.8
188.04765	2.3
191.07112	6.1
194.02216	6.7
195.06613	5.5
201.05661	1.5
203.03589	2.1
204.04356	2.3
205.05055	2.0
207.06693	16.5
216.04305	1.7
219.06607	2.4
223.06163	6.5
227.07341	1.7
229.04974	4.2
231.06569	1.4
232.03766	5.2
245.08232	2.8
247.06123	26.1
248.18388	1.4
249.07654	7.0
251.05620	100.0
259.06027	2.3
263.09271	1.6
271.06174	5.7
285.07767	2.9
289.07233	8.1
291.05157	33.9
303.08594	1.9
307.08218	2.9
321.05392	1.3
349.09427	3.0
351.03247	2.4
351.07281	43.0
387.19864	1.2
451.80530	1.2
469.13705	6.0
473.76892	1.2
513.12579	32.9
530.61401	1.6
549.10535	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	549.0897
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
59.01390	3.1
65.00332	0.9
71.01392	0.7
72.58829	0.4
76.58089	0.5
78.22179	0.5
85.02956	0.9
88.24654	0.5
89.02443	0.7
89.99247	0.5
96.95998	9.6
96.96503	0.5
98.95605	6.6
98.96369	0.7
107.01402	3.1
108.02184	2.1
109.02962	3.0
121.02980	2.4
123.00909	0.7
123.04500	0.5
125.02438	2.2
129.97998	0.5
135.00897	1.0
148.01680	2.7
151.00392	11.3
151.04097	0.8
152.01016	0.6
163.00380	2.2
163.04001	0.6
164.01097	0.8
165.01892	0.6
172.03709	0.5
172.06993	0.6
172.67268	0.5
178.99937	4.6
180.05762	0.6
181.06555	0.7
183.04506	0.7
189.05443	0.6
199.04100	1.0
201.01968	0.6
211.04016	2.1
225.05620	9.5
226.02780	1.3
227.03642	3.9
243.03032	14.3
245.04604	0.7
254.02184	2.1
255.03024	34.8
255.05701	1.2
271.02530	72.1
272.02982	1.2
273.04068	0.9
283.02478	1.2
299.01956	1.2
300.02792	100.0
301.03583	33.6
444.13568	0.6
463.08932	3.4
505.09988	58.0
506.10599	0.8
549.16284	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83279	0.4
55.01890	2.2
57.03463	7.8
58.00611	0.7
58.72881	0.5
59.01392	32.8
59.01690	1.2
66.95100	0.5
69.03465	1.3
71.01385	22.8
72.99320	1.0
73.02946	9.3
75.00867	1.0
80.67670	0.5
83.01386	5.1
85.02951	17.3
85.03775	0.5
87.00899	1.3
89.02446	9.5
92.22426	0.5
94.17241	0.6
95.01389	2.5
96.96013	4.5
99.00888	2.6
101.02447	18.8
109.06552	0.6
109.85797	0.5
113.02448	7.7
116.92850	1.3
119.03482	2.7
123.08111	4.2
125.02433	2.8
131.03503	1.2
137.02444	0.6
151.11298	1.0
161.04561	3.7
177.12854	5.5
195.13922	15.1
221.06718	2.2
221.11868	2.4
239.13045	0.7
305.17731	0.7
547.24036	100.0
548.24567	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	549.035
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46665	0.1
59.01388	0.2
71.01409	0.2
73.02944	1.1
80.49966	0.1
92.10064	0.3
99.00891	0.3
99.92072	0.1
99.92580	8.8
116.92858	100.0
117.01926	1.6
117.92878	0.6
157.06618	0.1
227.03488	0.9
250.90381	0.2
255.03029	1.0
263.16513	0.2
284.03268	0.9
285.04028	1.0
304.92422	0.2
431.10196	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68357	0.6
52.52055	0.6
59.01389	60.3
71.01379	10.2
79.62236	0.8
83.01425	1.1
85.02975	3.4
85.24345	0.8
88.98814	1.7
89.02445	10.3
92.64994	0.8
95.00081	0.7
95.01392	0.8
96.96037	5.0
97.06598	4.5
101.02437	7.5
113.02443	5.9
115.00423	0.8
115.07657	87.5
116.92860	1.8
119.03543	3.9
125.02448	5.6
141.05551	6.2
149.06206	0.8
158.93932	1.4
159.06644	95.3
163.11362	5.7
169.01442	8.1
177.02037	0.9
189.12791	1.1
190.02718	1.0
205.05170	1.1
207.10329	8.4
309.05185	0.9
387.16684	100.0
454.87155	0.9
547.20154	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.2387
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82850	0.7
59.01385	100.0
60.99313	0.8
67.16401	0.5
76.48586	0.6
83.66759	0.6
85.02961	0.6
88.98827	4.5
92.10110	1.2
92.42813	0.6
96.96021	3.9
100.41753	0.6
106.31242	0.6
116.51749	0.6
119.05056	2.5
121.03017	0.6
125.02546	0.7
135.04562	0.7
141.01707	38.1
161.06128	0.9
163.04042	2.3
179.03500	0.9
191.56636	0.6
205.01482	0.8
205.03506	0.8
223.04736	0.9
259.46286	0.7
270.05270	0.8
331.28568	0.7
378.92838	0.7
487.20499	1.1
509.12872	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.183
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	7.3
59.01397	2.8
61.91356	0.3
61.98833	0.3
62.02927	0.3
64.33672	0.3
65.00322	0.4
71.01414	0.4
75.63855	0.3
78.04051	0.3
81.03460	7.7
83.01386	17.7
84.68297	0.3
85.02972	0.4
88.25239	0.3
92.10738	0.6
93.03481	0.3
95.05024	0.6
96.96008	0.4
99.04556	0.5
101.02454	0.3
104.87877	0.3
107.01379	0.6
109.02944	0.4
111.04569	0.5
112.08389	0.3
120.05803	0.6
123.04518	50.6
124.01701	0.8
124.94872	0.3
125.02441	65.1
135.04518	2.3
135.08160	4.3
136.08470	1.6
137.02431	0.8
139.03986	0.6
146.03758	0.4
149.02426	1.7
151.00365	5.0
151.04057	0.5
165.01871	0.8
166.02719	6.6
167.03500	100.0
175.03996	0.6
175.07660	0.6
176.04784	4.5
177.09142	0.3
179.03517	6.7
187.07620	0.6
190.02597	0.3
191.03496	1.7
202.06355	0.6
205.08694	3.5
227.07004	0.4
231.10231	0.5
241.08716	0.8
255.10240	0.5
259.09818	1.5
281.11832	0.4
283.09952	0.4
288.06494	2.0
297.11343	1.8
299.13147	0.6
323.13031	1.5
332.25467	0.4
341.13675	0.4
367.11923	2.5
385.12973	48.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58361	0.5
56.10206	0.4
59.01384	6.5
60.34949	0.4
71.01392	6.8
72.46540	0.5
73.02960	1.2
83.01404	0.8
85.02952	2.2
87.00916	0.7
89.02468	2.7
93.03475	0.7
96.96017	1.1
101.02448	2.8
106.04250	10.7
108.02182	2.2
109.02962	2.3
113.02443	2.4
117.03545	0.5
119.05041	0.9
121.02940	1.1
122.03767	0.7
123.04569	0.9
125.02450	1.2
131.03505	0.7
135.08145	0.6
137.02437	0.7
138.03204	1.0
145.30209	0.4
147.04538	4.3
149.02431	1.7
161.04500	1.1
165.01845	0.5
177.02005	0.5
189.01993	0.6
227.07114	0.6
238.06386	0.6
253.08734	100.0
254.09097	1.0
299.09235	1.1
341.06842	2.2
349.14743	0.6
415.14096	6.1
415.23318	0.6
525.70416	0.6
547.18384	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	547.1679
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	21.2
63.47538	0.4
67.64794	0.3
71.01377	3.4
73.02966	0.3
75.44819	0.3
77.29046	0.3
85.02970	2.0
87.37508	0.3
89.02453	2.2
93.03465	0.5
96.96032	4.7
98.95615	0.7
101.02445	1.4
104.11285	0.3
111.00894	0.5
113.02467	1.6
117.03481	10.9
119.05025	36.5
121.02930	1.4
132.05804	0.5
133.06602	2.2
137.51140	0.3
141.01727	0.7
145.02968	100.0
146.03297	0.8
159.04628	0.5
161.06091	4.1
163.04027	34.4
179.03435	0.4
187.04047	3.4
205.03427	0.6
205.05080	5.6
223.04538	0.5
235.06190	0.7
247.06187	0.4
265.07181	2.9
308.16721	0.4
325.09348	40.6
326.09656	0.6
522.71527	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.1262
Annotation	Unknow
Peak:m/z	Relative Intensity
54.47262	0.9
59.01391	7.9
61.98846	5.4
71.01382	11.7
78.50097	1.0
86.29691	1.2
87.00901	2.9
88.04041	80.8
91.05552	2.2
92.66102	1.3
96.96049	1.7
114.01982	6.1
115.00377	26.1
119.05041	17.7
125.02441	2.5
129.04823	1.2
132.03030	100.0
133.01434	33.8
135.04524	12.2
149.00887	10.1
163.04010	14.7
169.01428	1.5
179.03470	7.7
245.88989	1.2
250.07228	57.5
295.04688	4.2
384.60089	1.4
422.46796	1.7
483.11435	2.4
563.99536	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	547.0765
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.2
59.79477	0.1
65.00335	0.7
68.23097	0.1
77.72618	0.1
78.95920	0.6
79.95745	1.9
80.62590	0.1
83.12157	0.2
88.90027	0.1
89.98589	0.1
96.96015	100.0
107.01408	0.4
113.74365	0.2
125.02450	0.9
150.03227	0.3
151.00404	2.6
151.04004	0.8
152.01160	0.4
175.03957	0.2
178.99899	0.4
189.44160	0.2
285.04077	1.9
303.05164	0.9
372.05118	0.2
449.11035	1.3
532.96216	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.0767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55516	0.2
59.01384	1.4
61.98841	0.3
65.00333	0.3
71.01398	0.4
76.79845	0.2
78.95904	0.8
79.95760	2.2
82.95424	0.3
83.01418	0.4
85.03003	0.2
86.64713	0.2
89.02462	0.3
96.96010	100.0
98.95576	0.3
107.01393	1.3
109.02950	0.3
109.36820	0.2
125.02396	0.5
135.04536	4.5
151.00385	7.7
151.03975	0.2
187.07524	0.2
267.97485	0.2
287.05655	3.2
325.04092	0.4
367.15533	0.3
449.11148	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	547.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06061	0.2
58.30708	0.2
59.01382	23.3
68.95493	0.2
71.01388	0.3
78.74718	0.2
82.95402	0.3
85.02950	0.4
89.25680	0.2
92.10788	0.4
93.00647	0.2
96.96016	0.9
108.26789	0.2
113.04976	0.2
116.92900	0.2
117.03474	1.4
119.05021	100.0
120.05332	0.3
133.06630	0.3
138.04262	0.3
141.01703	8.7
145.02957	6.1
145.04074	0.3
150.24127	0.3
161.06062	1.3
163.04012	97.3
164.04338	0.4
178.98561	0.3
187.03979	0.3
205.05096	0.5
246.34055	0.3
265.07260	0.4
271.67264	0.2
325.09329	28.7
326.09872	0.2
417.58286	0.3
439.62283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2983
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	1.8
59.01390	12.6
61.98842	4.1
62.30807	1.5
62.49607	1.4
62.86558	1.4
65.18262	1.4
67.27495	1.3
71.01386	9.7
85.02944	2.5
88.42413	1.8
89.02429	3.7
101.02439	9.8
103.02834	1.8
111.08141	1.8
113.02481	2.6
116.63040	2.0
123.95015	1.7
153.12865	2.6
161.04585	2.7
172.37453	1.9
181.12331	1.7
197.11844	2.8
207.13922	3.1
247.20622	3.5
247.43513	2.1
253.09334	17.5
273.18671	2.8
291.19727	38.6
296.93060	1.7
304.55106	1.8
309.20767	100.0
545.29846	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	546.1109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84069	0.1
59.01392	0.3
61.98834	100.0
65.25521	0.1
67.65709	0.1
71.01386	0.2
83.01376	0.2
84.82610	0.1
85.02961	0.2
87.00871	0.4
90.65349	0.2
92.66339	0.2
93.03445	0.3
96.95987	0.7
115.00328	0.3
117.03456	0.2
119.04996	0.6
120.05365	0.2
125.02386	0.3
127.61887	0.2
145.02948	0.3
147.04517	0.6
149.00851	0.2
149.06049	0.2
161.02461	0.2
161.06039	0.3
163.04002	0.3
169.01424	0.4
175.02563	0.2
177.05563	0.4
178.06018	0.2
188.21983	0.2
191.03430	1.1
192.03772	0.3
217.05031	0.4
218.05431	0.6
221.04572	1.6
222.04839	1.0
223.05080	1.1
224.05414	0.3
228.26500	0.2
229.88280	0.2
261.04001	0.4
262.04425	0.3
263.04559	0.3
264.04990	0.3
298.53629	0.2
322.06573	0.7
323.06525	0.4
485.11469	0.2
486.12592	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48640	0.5
57.03463	1.2
59.01391	14.4
61.98843	1.7
67.70297	0.6
71.01389	9.3
72.00935	0.6
72.99345	0.6
80.45751	0.7
81.78563	0.6
82.68917	0.6
83.01402	0.7
85.02962	2.8
87.00887	1.2
89.02467	6.9
90.95439	0.7
96.96030	0.9
98.03754	0.9
101.02460	7.6
109.06605	0.8
113.02458	3.6
119.03534	1.4
125.09718	2.7
141.12901	1.0
151.00391	0.8
161.04536	3.7
162.10521	0.8
163.11317	7.4
165.09149	1.0
165.12823	8.0
179.14427	3.0
181.12312	3.3
193.15880	1.2
197.11827	3.5
209.11728	0.9
223.13333	3.9
236.61429	0.7
247.20758	9.9
253.09286	20.5
273.18634	3.4
284.03391	2.7
291.19699	92.8
309.20767	100.0
440.15939	0.8
545.16846	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51874	0.4
58.30924	0.4
59.01384	12.5
61.98849	1.0
71.01382	7.8
73.02967	1.0
81.58678	0.5
83.01398	0.8
85.02965	2.8
87.00873	1.3
89.02440	8.3
92.10847	0.6
95.08091	0.5
97.02927	0.8
97.06572	2.5
101.02438	8.3
109.40206	0.5
111.08141	0.6
111.53793	0.5
113.02488	3.7
113.09740	2.9
115.07648	0.8
119.03499	2.3
119.05004	0.6
126.06918	0.7
141.09198	0.9
151.11208	0.6
161.04555	1.2
163.04005	0.7
165.12897	3.9
167.14474	2.3
176.45786	0.6
179.05611	1.0
181.12343	4.1
183.13976	1.0
185.85605	0.6
193.12253	2.0
195.13945	3.6
211.13399	3.7
221.15489	3.6
239.13130	0.6
240.13699	0.9
247.20679	5.1
253.09294	18.2
273.18738	4.5
281.21121	1.1
291.19690	46.7
292.20193	0.8
309.20773	100.0
310.21078	1.0
330.64230	0.6
351.05533	0.6
364.74954	0.5
545.29822	10.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1674
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19519	1.3
54.17238	1.6
54.82899	1.6
57.03453	12.9
59.01377	14.1
59.79416	1.6
61.98843	2.1
63.02415	2.2
63.59974	1.3
63.78879	1.9
65.00320	22.1
67.17402	1.4
71.01385	3.1
73.02952	1.8
78.04839	1.7
78.74815	1.7
83.01400	15.6
87.00880	2.6
87.04526	2.5
92.10132	4.3
93.03519	2.1
95.01410	2.7
96.96014	8.0
107.01392	39.9
108.02209	2.4
109.02996	6.8
111.00948	2.5
111.13565	1.7
113.06091	2.4
124.01645	3.1
125.02440	56.9
125.09744	1.9
135.08165	4.3
137.02441	1.8
146.03799	2.2
146.96983	1.9
150.99155	3.3
151.00375	100.0
151.07700	2.4
152.01175	20.8
153.01985	13.1
165.01913	20.5
167.03484	3.4
167.10721	2.4
169.01505	3.6
174.03197	16.1
175.04018	2.1
175.07648	9.4
178.99867	19.6
181.01451	3.0
185.06137	3.8
187.04048	8.1
200.04788	9.1
202.06361	3.1
203.07172	32.8
211.07710	2.9
213.59561	1.9
215.07156	13.1
217.05019	3.4
229.08675	16.1
243.02930	4.4
244.03883	3.5
246.08902	6.7
255.06711	4.5
266.05945	2.1
272.06934	4.1
273.07715	31.5
284.03363	8.6
363.08817	7.5
381.09808	36.4
383.11371	2.6
399.10828	24.4
419.13617	24.0
527.15814	3.5
545.16827	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	545.2533
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12160	20.2
59.01422	28.2
63.07203	21.6
90.06837	22.6
99.02883	27.4
123.04553	100.0
209.11845	50.6
211.88916	23.7
244.38687	26.4
279.79681	28.9
545.24213	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0606
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49989	0.1
56.79686	0.1
57.15234	0.1
59.01389	0.2
79.95743	1.9
89.09385	0.1
90.73273	0.1
96.96013	100.0
108.75990	0.2
111.14907	0.2
121.02895	0.2
151.00372	1.0
178.99844	0.3
200.41930	0.2
243.03009	0.2
249.27205	0.2
255.02962	1.1
271.02527	2.5
299.99771	0.2
300.02805	3.9
301.03583	3.0
383.14984	0.2
447.09366	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	545.1685
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48572	2.6
56.48368	2.3
56.77991	2.0
57.03453	4.3
59.01381	24.2
61.98833	26.9
64.35100	2.2
65.00343	14.8
71.01395	5.2
71.12852	2.5
72.73161	2.1
73.02954	3.1
83.01402	6.1
85.02975	3.3
89.02485	3.6
92.10131	12.4
93.70506	2.9
96.95996	4.3
107.01398	28.4
114.40015	2.7
124.01655	4.9
125.02464	25.8
137.02492	4.8
139.04008	5.2
149.00986	4.6
151.00386	100.0
152.01151	24.4
162.03268	6.4
163.04057	9.7
164.27472	2.8
169.01495	5.1
178.99898	39.7
191.03551	14.4
209.11935	6.2
218.09503	10.3
219.10385	6.3
219.73146	2.6
245.08218	3.6
246.09013	23.2
247.09718	5.9
271.02478	2.8
273.07837	4.7
284.03314	16.3
289.07104	3.1
299.02042	3.4
353.10446	6.3
381.09860	33.9
393.15714	18.1
399.11035	9.2
419.13217	2.8
478.06131	3.2
483.33472	3.5
514.87512	3.2
545.16937	16.2
545.32977	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	544.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67860	0.6
56.79396	0.5
59.01382	0.6
61.98837	100.0
123.78066	0.6
518.89294	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38231	0.1
59.01399	0.6
64.20709	0.1
71.01376	0.2
78.46137	0.1
78.95901	0.2
79.95744	1.8
85.98667	0.2
88.00362	0.1
96.87276	0.2
96.96015	100.0
97.06594	0.6
101.02455	0.2
121.02945	0.3
178.14664	0.1
227.03503	2.1
255.03029	2.4
256.03616	0.2
280.19406	0.2
284.03320	2.3
285.04077	0.9
383.15143	0.3
384.45914	0.1
414.82727	0.1
447.09454	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	544.2408
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	18.9
60.01719	3.1
61.01807	2.2
61.98834	100.0
62.98986	0.2
71.01393	1.6
85.02969	0.4
89.02441	0.5
92.10024	0.5
96.95981	0.3
97.02974	0.4
97.93586	0.3
99.56737	0.4
101.02431	1.2
106.65723	0.3
120.36069	0.3
125.02433	1.1
128.63307	0.3
139.87952	0.3
145.86894	0.3
240.29761	0.3
248.27414	0.3
263.63000	0.3
302.18335	0.3
303.19312	0.3
318.22528	0.3
336.75803	0.3
483.24979	1.1
484.25479	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	543.2969
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37685	0.7
59.01385	100.0
59.14153	0.6
104.28223	0.7
180.55156	0.7
184.29904	0.6
253.83372	0.7
335.91522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3318
Annotation	Luvungin F
Peak:m/z	Relative Intensity
52.39162	3.4
58.63869	3.4
59.01389	30.0
61.98841	24.8
71.01406	4.9
93.03460	6.8
104.94721	4.4
107.01389	7.0
119.05035	29.8
121.02970	9.0
123.04482	7.9
123.95467	4.4
124.01574	4.3
125.02435	5.0
151.00372	31.3
161.02451	8.1
169.01399	5.1
221.88664	4.7
241.01079	4.2
271.06149	59.7
325.64008	4.4
446.12247	8.4
472.26358	5.1
483.33145	7.3
543.14313	8.2
543.33167	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.1516
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	3.4
58.00615	1.8
59.01381	24.0
61.35730	1.8
61.98844	13.2
63.02393	15.1
65.00311	6.4
65.30023	1.8
65.88190	2.3
69.40193	1.9
71.01402	5.1
72.14697	2.1
73.02941	4.9
83.01402	12.5
83.05059	2.1
85.02985	3.8
85.39578	2.1
85.98250	2.3
96.96007	8.3
107.01406	24.4
113.05431	2.3
121.02971	4.2
123.04564	2.6
124.01687	9.7
125.02454	22.4
135.08173	3.7
137.06107	12.9
151.00391	86.3
151.07660	12.3
151.76653	2.0
152.01173	26.9
153.01984	5.5
162.06885	5.0
169.01410	18.4
173.06143	3.2
177.09221	3.6
178.99873	100.0
187.07588	3.3
200.04884	4.4
215.07185	30.4
217.08736	9.3
234.62523	2.7
243.06711	3.3
245.59575	2.4
253.05101	2.9
271.02536	2.8
271.06113	9.0
300.02795	4.1
333.07837	3.3
353.06824	5.3
361.07373	11.0
379.08176	9.5
387.27347	2.7
397.09183	10.9
405.28470	4.2
460.71576	2.2
483.26974	2.9
483.33533	13.9
491.79337	2.5
525.34558	13.6
543.15106	59.0
543.35052	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	543.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76953	3.1
52.84696	3.3
54.55780	2.7
57.03476	3.8
59.01382	100.0
61.98832	60.8
63.02405	4.7
65.00328	29.4
71.01403	19.9
73.02949	4.8
83.01392	16.0
89.02446	16.8
90.18679	3.3
93.03471	7.9
101.02467	5.8
107.01360	37.4
109.06653	3.8
113.02456	4.6
119.05021	9.0
123.04525	4.7
125.02448	19.2
135.08147	8.5
137.06073	5.1
139.07640	6.3
151.00377	67.0
151.07651	6.4
155.15434	4.1
156.18492	3.4
178.08083	3.7
179.05635	7.0
197.06137	4.1
213.05566	6.1
241.05060	20.3
254.06006	3.6
260.63678	3.4
275.07138	5.4
276.07828	4.9
277.08713	7.2
285.04114	29.6
290.13831	4.1
295.02542	7.8
296.03220	13.7
297.04141	4.1
303.06757	8.1
304.07556	5.8
309.04138	17.1
321.03922	5.1
322.26968	4.3
331.06161	4.8
347.09344	20.6
349.07053	4.4
379.04315	4.0
393.06177	8.3
405.28461	3.9
429.10025	15.8
455.07761	17.3
456.08960	5.3
457.09348	6.6
481.09293	6.1
483.33365	30.1
499.10477	75.0
543.09454	14.2
543.16302	13.0
543.34778	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.3155
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	29.5
59.66082	2.7
61.98851	17.0
71.05066	3.9
73.02962	3.8
78.91126	2.7
85.02969	3.1
87.04596	3.1
92.10177	9.4
93.16969	2.5
99.04572	3.7
114.40887	3.4
120.05888	3.9
121.03027	3.7
125.02435	3.5
135.08212	14.8
137.06163	4.3
159.04236	2.8
160.86703	2.6
162.06885	4.5
177.09258	4.7
210.12279	3.5
242.62335	3.3
279.36942	3.3
285.04105	11.7
319.19110	13.0
481.31824	4.6
523.33051	5.5
541.33545	100.0
564.76959	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	541.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79890	1.2
53.14669	1.2
57.03466	2.7
59.01392	14.7
61.98840	8.9
63.34464	1.2
71.05039	1.4
73.02952	2.5
82.35862	1.3
85.02972	1.9
87.00906	1.9
95.05102	1.6
97.06629	1.8
99.04570	1.6
109.06586	1.8
109.35506	1.5
123.08170	3.0
135.08170	16.1
137.06081	3.5
142.17378	1.4
151.07700	2.1
153.18996	1.4
157.12358	2.7
162.06808	2.3
177.09244	6.2
192.00372	1.6
225.33559	1.6
304.61197	1.6
343.25113	1.8
401.03357	1.6
429.28769	5.6
461.32404	1.9
499.32962	2.3
509.06003	1.6
523.32678	5.6
532.66095	1.5
541.11060	1.7
541.33984	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	541.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	1.4
57.03451	0.5
58.00579	0.4
59.01385	100.0
60.00164	0.3
63.01971	0.3
64.47690	0.3
66.22894	0.3
69.03451	3.2
71.01381	12.6
73.02935	3.2
79.16991	0.3
83.01405	2.0
85.02945	5.4
87.00870	0.4
89.02444	9.1
95.01390	0.6
97.02953	9.1
99.00887	0.5
101.02445	9.4
102.13302	0.3
109.02969	1.5
113.02444	5.9
119.03509	4.0
123.00832	0.4
123.04528	0.4
125.02422	2.3
138.03238	0.6
140.88702	0.4
143.03477	0.7
153.01901	0.3
159.02995	0.4
161.04597	4.7
179.05603	2.4
179.07152	1.7
271.06088	0.5
301.16602	2.0
319.19189	0.8
344.13806	0.4
451.23413	1.4
463.23395	2.2
481.24527	18.6
501.90649	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
58.07061	0.3
59.01380	0.7
60.99321	0.4
62.08100	0.3
71.01377	0.5
78.95913	4.7
79.95759	1.6
81.25761	0.3
87.00898	0.3
88.98814	1.8
89.02467	0.3
96.96017	100.0
96.96912	6.9
106.24899	0.3
109.18623	0.3
110.13178	0.3
116.92802	0.5
120.30683	0.3
125.02509	0.3
149.00949	0.7
179.03558	1.1
239.05699	0.7
318.59256	0.3
342.02231	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35135	1.2
57.41874	1.3
58.14903	1.4
59.01395	1.6
61.98833	9.6
67.19489	1.1
81.72079	1.4
93.03485	2.1
106.04263	7.5
108.02180	3.2
121.02960	14.2
129.95456	1.4
133.02962	59.3
134.03714	3.3
135.04492	2.2
149.02444	2.2
164.04863	5.4
233.40794	1.8
238.06403	1.5
239.07108	12.2
240.07838	2.1
253.08662	15.4
254.09529	5.8
255.10294	100.0
259.15540	1.5
269.11835	1.6
541.22620	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	541.2663
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03133	1.0
59.01384	100.0
71.01396	7.5
72.85085	1.2
83.01410	1.4
83.70471	1.0
85.02988	1.5
89.02441	9.2
93.51283	1.2
97.02950	1.8
97.55250	1.1
101.02453	7.5
113.02448	2.4
117.89272	1.1
119.03522	2.6
123.04513	2.3
124.29374	1.3
125.02446	11.2
126.41406	1.1
137.02507	1.7
151.04068	1.2
161.04587	1.3
179.05608	2.2
257.19223	1.2
301.18106	2.1
316.68741	1.2
319.19235	2.0
384.97653	1.2
441.55734	1.2
481.24594	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	541.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
55.22517	0.3
57.03451	2.0
59.01386	100.0
60.12620	0.3
60.99316	0.6
71.01383	7.8
73.02966	1.8
78.21856	0.3
83.01411	1.8
84.41724	0.3
85.02937	2.5
88.98798	3.2
89.02445	6.6
97.02913	2.7
99.00860	0.4
99.17313	0.4
101.02444	7.0
107.01391	0.9
109.02969	1.7
113.02457	3.9
116.69706	0.5
117.05580	0.7
119.03503	2.9
123.04528	0.8
125.02448	10.3
135.04565	2.7
137.02487	2.5
141.01707	0.4
145.02931	1.4
149.02472	0.4
151.00423	4.2
151.04028	1.5
159.04514	0.4
161.02501	0.6
161.04579	2.8
169.01414	0.5
179.05656	1.7
185.64986	0.4
203.07170	0.9
249.14943	0.6
257.19049	1.4
271.06165	4.4
275.20123	0.7
287.05508	1.8
289.07199	3.0
301.18179	3.5
319.19223	2.0
449.10950	1.4
479.31702	0.4
481.24539	17.5
541.13641	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	541.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38296	1.1
56.21572	1.1
57.03447	1.4
58.76617	1.3
59.01386	100.0
61.98828	5.6
63.02393	1.9
63.85712	1.5
65.00327	14.4
79.55457	1.5
79.85637	1.3
83.01400	9.1
107.01396	19.1
108.02178	6.0
109.02965	5.2
121.02957	6.8
124.01590	1.6
125.02434	14.6
133.02943	9.7
134.03703	10.1
135.04527	92.7
136.01651	6.5
143.05017	1.7
147.04523	2.2
151.00389	66.8
155.05016	3.0
159.04419	5.8
160.01582	1.8
161.02437	7.8
164.01112	6.5
169.12161	1.4
171.04494	5.1
174.03217	5.7
175.04013	6.0
177.01965	2.5
185.06163	2.7
187.04004	3.4
196.00034	2.9
197.11838	29.8
198.03220	2.8
199.04034	25.9
201.01976	6.2
201.05537	1.8
209.11880	19.0
212.04800	1.5
213.05554	5.8
215.03517	6.5
215.43472	1.9
217.05072	3.1
227.12906	2.1
241.05096	13.5
243.02963	1.9
243.06595	8.2
255.10249	10.4
257.04526	8.7
265.08688	1.6
267.06369	2.8
282.09106	9.7
285.00888	1.9
285.04068	46.8
286.04575	3.1
287.05606	9.7
297.11365	13.7
419.15039	8.8
541.15045	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	1.9
59.01384	16.9
60.62654	1.1
61.98838	15.2
62.06850	1.0
65.81771	1.1
66.27972	1.0
67.01899	2.7
71.01398	5.9
73.02959	2.9
73.30084	1.3
73.43186	1.2
83.01430	2.2
85.02993	2.4
87.00878	2.2
88.85924	1.2
89.02444	1.3
91.01941	1.2
92.10757	1.7
101.02465	2.8
107.01403	1.9
111.00878	18.2
119.05115	1.2
121.02981	2.0
123.04569	1.9
124.01654	5.8
125.02447	12.7
135.00928	2.5
135.08214	2.3
136.84485	1.2
137.06064	1.9
148.01736	1.8
149.99615	6.4
151.00406	6.4
151.07716	1.4
165.05508	1.2
168.00639	12.0
169.01395	1.2
171.04604	1.4
178.99818	1.9
199.03900	4.4
215.03490	1.9
226.02768	2.0
227.03503	5.8
238.50385	1.1
243.03015	14.2
254.02176	1.7
255.03008	31.8
271.02524	76.5
285.04071	1.7
299.02002	22.7
300.02798	100.0
301.03629	8.9
405.70514	1.3
407.14331	1.5
429.08325	9.3
481.26105	2.3
481.32104	6.8
499.32584	1.4
541.10034	37.7
541.19434	13.9
541.33789	13.3
564.20697	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	540.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.1
61.98834	100.0
66.57542	0.2
69.91691	0.1
78.11941	0.2
90.19494	0.2
117.24513	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94231	2.2
55.92350	2.3
57.03461	2.6
57.79210	2.1
59.01400	13.8
59.28714	2.1
60.62114	2.2
62.47542	2.0
63.12613	2.3
64.23022	2.5
71.01391	9.5
83.01382	3.7
83.39056	3.1
86.18262	2.2
87.00880	100.0
89.02380	2.9
96.96028	3.2
97.02930	3.9
109.02975	13.0
119.05077	4.4
121.02988	11.6
123.04520	21.6
125.02457	20.2
131.09727	2.5
135.04558	14.8
137.02441	19.3
139.03996	5.3
145.02946	4.0
146.03705	5.6
149.02473	13.7
149.06091	3.2
150.61549	2.3
151.04021	9.0
159.04552	17.8
161.02425	22.8
161.06091	10.5
162.03236	18.6
163.04013	28.9
164.04764	19.9
165.01932	15.3
165.05634	3.5
173.06071	2.9
174.03215	4.3
175.04025	27.9
177.05655	4.2
179.03410	2.9
187.04048	9.3
188.04840	4.0
189.01952	4.2
189.05583	6.3
190.02769	5.2
201.05475	7.4
202.06544	3.6
203.03680	2.7
203.07184	6.3
205.05051	17.7
207.02995	4.9
213.05482	3.3
215.07155	3.0
227.03282	3.6
229.05103	11.1
231.03038	4.1
233.04489	2.9
241.04979	4.2
243.03009	20.3
243.06792	3.5
244.03784	4.2
245.04576	3.7
247.06241	20.2
251.01994	16.3
252.02872	3.3
257.04565	4.2
271.02411	2.7
286.04895	3.4
289.07330	6.0
301.07217	4.0
367.90744	2.7
381.64667	2.8
389.05228	14.9
389.10089	3.6
409.09259	10.4
453.11884	21.6
472.79379	2.6
541.09772	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01887	3.6
55.25483	0.4
57.03451	4.5
57.40739	0.4
58.09193	0.5
59.01387	80.7
63.85870	0.5
71.01382	35.7
72.99307	1.2
73.02940	12.8
75.00903	0.6
78.95897	0.8
83.01391	7.5
85.02953	17.3
86.00088	0.6
87.00887	3.0
89.02444	16.2
95.01413	2.6
97.02985	0.8
99.00872	4.4
101.01785	1.0
101.02444	27.6
101.03085	1.1
111.00884	2.3
113.02448	15.2
115.18275	0.4
119.03474	4.2
121.02986	0.5
125.02429	4.0
131.03484	0.5
134.03767	1.0
137.02441	0.9
143.03578	0.7
147.04451	0.6
149.00935	0.6
159.03001	1.2
159.04561	0.6
161.04599	7.0
169.01431	0.8
169.61453	0.6
173.06200	0.8
177.05598	0.7
179.05606	2.3
187.03899	0.7
201.05653	0.8
201.09232	0.7
203.07187	0.8
211.13434	2.3
212.92018	0.5
219.06665	1.3
243.16019	2.5
257.64542	0.6
315.25375	3.3
317.13885	0.9
317.27032	6.9
327.16046	0.7
345.17056	0.8
389.16223	0.9
460.94049	0.5
479.32346	100.0
480.32227	0.7
539.32184	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	4.3
59.01393	22.7
60.99300	5.0
61.98841	45.1
71.01400	5.2
73.02934	2.8
83.01365	3.2
85.02951	4.4
88.98804	19.4
90.02592	2.5
90.10777	2.9
125.02387	4.8
134.93782	3.7
150.15265	3.1
178.99908	4.3
203.03452	3.7
209.08186	4.3
243.02913	6.6
259.02390	15.3
270.01620	3.4
271.02536	28.7
287.01971	35.9
300.02350	3.8
315.01575	55.9
316.02292	21.7
318.10544	5.3
330.03848	63.4
331.04599	44.3
477.10468	100.0
539.33289	17.2
540.33374	13.7
567.22266	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	540.1156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51282	0.6
55.01888	0.8
59.01392	10.7
61.98842	10.2
63.02419	0.9
63.77377	0.7
65.00331	1.2
66.03501	7.0
71.01383	4.6
73.02941	1.1
83.01423	1.4
84.45083	0.8
87.00903	0.8
93.03469	1.0
101.02476	1.9
107.01400	3.0
108.02141	1.2
108.55096	0.8
108.63467	0.7
109.02952	4.7
110.02498	4.3
111.35265	0.7
113.02446	1.2
121.02970	4.3
125.02458	1.5
148.01614	1.0
149.02423	0.8
151.00392	19.8
159.04486	1.2
161.02449	1.0
163.00363	3.7
169.01382	1.6
173.98256	1.0
178.99863	8.6
183.04485	1.0
186.55983	0.8
199.04027	1.3
201.05579	0.9
203.03508	1.2
211.04054	1.1
211.13441	4.8
227.03519	3.8
243.03018	14.8
245.04555	1.2
254.02322	1.4
255.03018	34.0
271.02521	72.5
272.03171	3.5
299.01999	11.9
300.02802	100.0
301.03568	38.3
301.06296	0.8
342.10788	1.1
447.09259	1.4
479.32520	5.5
480.32697	5.5
540.11572	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95747	0.4
55.01889	4.7
55.81228	0.4
57.03456	4.0
58.00602	0.8
59.01385	87.4
60.01705	0.4
61.98841	2.3
71.01381	35.7
71.32269	0.4
72.99304	2.1
73.02944	9.9
78.38958	0.5
83.01383	5.2
85.02947	18.3
85.03454	0.7
86.97530	0.4
87.00880	2.4
89.01904	0.5
89.02441	19.0
95.01371	3.4
99.00883	3.7
101.02442	24.4
111.00867	0.6
113.02453	13.7
119.03493	5.6
125.02428	2.3
128.36766	0.5
131.59276	0.5
143.03508	1.0
159.02971	2.0
161.04596	7.6
161.05891	0.7
169.01421	1.1
173.06056	1.7
179.05717	3.3
179.07022	0.5
201.05624	2.1
211.13445	2.9
219.06630	2.2
231.20787	0.5
243.16034	10.1
253.09225	0.9
315.25409	0.8
317.13986	0.9
317.27048	8.2
479.32339	100.0
480.32794	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83058	0.4
55.01890	0.8
57.03454	0.5
58.00600	0.9
59.01389	100.0
60.99294	0.4
61.98856	0.3
69.03477	0.8
71.01386	12.9
72.99300	3.5
73.02954	7.9
78.95912	5.2
83.01394	1.5
83.05020	0.4
84.81482	0.4
85.02959	6.2
85.06611	0.6
87.00871	3.6
87.04530	0.5
88.98819	0.7
89.02445	13.5
89.02991	0.5
91.01866	0.6
96.96964	0.5
97.02954	2.5
101.02448	16.1
103.04028	3.7
105.76028	0.4
109.02939	0.8
113.02459	4.9
115.03999	0.9
119.03520	5.8
123.04456	0.6
125.02448	3.0
131.03520	2.5
133.05017	1.6
135.00867	2.3
135.60738	0.4
137.02472	0.7
143.03529	3.6
145.05078	0.5
149.00891	0.9
151.03963	0.7
152.99626	5.7
161.04495	1.5
163.04875	0.6
163.06154	13.6
163.07491	0.7
179.05573	0.9
179.14339	0.5
195.13919	0.7
201.05690	0.4
203.07147	0.4
205.07233	3.0
205.12415	0.5
211.13422	1.7
215.41170	0.5
219.06618	0.6
219.14020	0.6
223.13438	4.9
241.01216	1.9
247.13499	0.6
255.17537	2.0
265.09250	1.7
273.18655	1.5
284.14124	0.5
299.16629	8.3
317.14197	0.5
317.17569	1.0
350.78159	0.4
401.27725	0.5
445.38162	0.5
470.74942	0.5
479.23013	10.7
479.30695	0.4
479.33121	0.6
539.19110	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2717
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90630	0.3
55.01884	0.9
57.03441	0.9
58.00592	1.5
59.01387	100.0
61.98850	0.5
68.29073	0.4
69.03465	1.6
71.01385	19.1
71.01775	0.8
71.03382	0.3
71.94161	0.3
72.99305	3.1
73.02949	20.9
74.84020	0.3
78.95907	2.5
83.01394	1.5
85.02956	9.0
86.00101	0.5
87.00880	6.1
87.04529	2.2
88.98820	0.8
89.02450	16.3
96.96977	0.5
97.02946	1.6
99.04510	0.4
101.02448	25.0
103.04021	11.4
109.02962	0.5
113.02456	4.2
115.04025	4.3
119.03506	7.2
121.02966	0.4
121.74512	0.4
125.02453	1.6
127.04006	0.9
131.03497	6.0
134.03668	0.4
135.00941	0.5
135.04478	0.4
137.02472	0.5
143.03510	5.9
145.05083	4.0
152.79303	0.4
152.99585	3.0
161.04558	0.6
163.06142	37.8
175.07681	0.5
179.05672	0.8
183.58212	0.3
195.14021	0.4
205.07211	8.4
211.13472	0.8
219.13918	0.4
223.00249	0.5
223.13412	1.9
235.08353	0.4
255.17586	0.7
265.09399	2.9
273.18631	0.5
299.16519	3.1
317.17661	0.7
479.23090	4.5
479.31842	0.9
539.19366	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	539.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61516	0.7
52.38152	0.9
54.82878	0.8
57.03448	7.7
58.00597	1.1
59.01384	70.2
61.98856	0.7
69.03467	4.0
71.01379	48.0
72.99353	1.1
73.02938	14.4
75.00880	1.3
81.03466	1.5
83.01414	3.8
85.02944	7.6
87.00896	1.7
89.02441	100.0
95.01369	1.8
97.02954	6.4
99.00875	18.0
101.02436	21.9
111.08662	0.8
113.02454	5.3
115.04067	3.2
119.03489	1.5
125.02438	27.2
131.03517	8.6
143.03481	1.2
149.04558	27.5
150.03229	4.1
154.84737	0.9
161.04552	1.5
165.05527	2.2
169.01335	1.0
185.11848	14.8
186.63647	0.9
191.05687	9.6
206.78259	0.8
209.11842	1.2
221.06595	1.7
233.06702	13.3
239.12927	1.4
251.12793	1.2
275.07693	1.3
293.08832	59.8
311.09750	3.5
360.67383	1.0
387.16858	1.3
539.17706	1.1
559.62750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.6
56.42578	0.7
57.03465	1.5
57.66864	0.7
59.01389	24.7
60.99324	1.3
63.24876	0.7
64.46705	0.7
67.32142	0.7
71.01394	13.1
73.02967	5.7
75.42767	0.7
78.47118	0.7
80.36923	0.8
83.01394	4.2
85.02952	9.2
87.00901	3.8
88.98819	13.4
89.02454	6.8
93.03486	4.7
96.96024	7.4
98.57610	0.9
99.00916	1.6
101.02453	13.1
108.02204	0.9
113.02466	6.8
116.92797	0.9
121.02962	7.1
122.03747	12.5
123.04536	6.1
125.02542	1.8
125.06075	1.3
128.19096	1.0
133.02992	4.5
134.03763	1.1
135.04524	2.1
136.22365	0.8
137.02409	1.3
140.52199	1.0
143.07120	1.7
146.25812	0.9
149.02473	34.3
150.03250	100.0
151.04013	1.4
161.02460	1.4
162.03316	1.3
164.04807	7.0
165.05583	72.0
166.06340	3.6
180.04314	6.1
181.08719	5.1
195.06656	25.2
195.27246	0.9
203.36836	0.8
245.08195	1.3
269.04550	3.4
314.11530	4.1
329.13937	6.8
343.14059	9.1
365.86691	0.9
377.12518	4.1
377.29279	1.1
381.13773	0.9
469.48312	0.9
491.19366	64.2
539.20837	6.4
539.34900	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	539.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47622	1.2
53.84494	1.4
54.83243	1.6
57.29095	1.5
59.01388	8.2
59.99746	1.7
61.98839	14.4
73.05863	1.7
74.26578	1.8
93.03460	9.1
106.04235	2.9
107.05033	8.1
108.02168	7.9
109.02958	2.0
117.03463	2.3
119.05032	26.6
121.02949	8.1
123.04552	12.5
125.32846	2.1
126.49133	1.9
132.02139	4.4
133.03036	2.6
134.03735	21.6
135.04533	55.0
147.04469	14.2
147.33450	2.2
149.06091	38.1
149.46313	1.8
162.90182	2.2
210.06900	4.4
217.00314	2.7
223.07611	2.8
225.05630	2.4
232.66017	2.2
237.05544	10.5
238.06381	17.6
251.07117	8.5
252.07832	7.2
253.05106	10.5
253.08728	48.6
264.08072	2.8
265.05200	13.2
266.05814	7.6
267.06628	39.5
267.10257	33.1
279.06970	2.7
279.10306	8.4
281.08191	18.2
282.09018	7.4
283.09741	15.2
297.11325	41.9
403.15601	100.0
403.20917	3.7
539.20349	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	539.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.9
60.08952	0.8
61.98841	3.8
75.84935	0.8
83.37367	0.7
85.93844	0.8
86.60762	1.1
106.04263	12.5
106.84869	0.8
107.05045	5.9
108.02200	8.6
109.02987	1.1
119.05091	1.6
121.02972	7.6
122.03748	9.7
134.03745	1.1
135.04529	19.2
137.06075	3.4
138.03217	1.4
146.03780	1.3
147.04573	6.2
149.02449	11.1
150.03210	1.3
164.04820	6.8
165.05569	19.7
179.07156	1.5
215.50792	1.1
217.00337	1.5
218.48901	0.9
245.91982	0.9
253.08737	100.0
267.10330	19.5
271.09805	2.2
527.49542	1.0
539.20837	8.5
550.90411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34795	0.7
52.75525	0.7
55.01899	4.7
55.92957	0.8
57.03466	2.2
58.00626	0.9
59.01387	26.9
61.81850	0.7
70.89731	0.9
71.01397	18.7
72.99326	1.7
73.02953	8.2
79.51697	1.0
83.01383	6.3
85.02953	15.1
86.00134	1.2
87.00909	1.9
88.98820	1.9
89.02465	4.9
93.03469	1.4
95.01394	1.9
96.96016	10.4
99.00914	1.6
101.02448	20.1
104.08183	0.8
113.02436	6.3
121.02931	10.1
122.03735	6.8
123.04502	1.9
124.01832	0.9
125.02457	1.5
131.07126	2.0
132.02173	1.3
133.02956	7.5
134.03729	3.8
135.04562	1.0
147.04503	0.9
149.02451	54.2
149.06148	2.0
150.03235	54.9
164.04843	7.6
165.05571	35.4
166.06386	8.4
167.07222	1.0
168.76942	1.1
169.01338	1.5
173.08194	1.0
177.01959	1.0
180.04375	1.1
181.08727	7.2
195.06651	8.0
256.53217	0.9
259.80042	0.9
314.11755	7.1
315.12375	1.1
329.14081	15.4
343.14188	9.8
479.24640	1.5
491.19318	100.0
492.19427	1.0
539.21527	22.2
539.33978	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37570	0.5
59.01401	1.0
61.98842	1.5
63.02415	1.3
63.89811	0.6
65.00336	1.1
68.64852	0.7
70.39602	0.6
73.62632	0.6
75.93591	0.7
83.01428	0.7
83.39177	0.6
107.01437	3.1
126.35783	0.7
133.02977	11.7
149.02487	1.5
151.00391	10.6
161.06042	0.7
175.04031	3.6
183.04524	3.2
199.04083	3.4
201.01953	0.9
213.05598	0.8
217.00328	1.0
217.05243	0.7
227.03503	3.0
255.03021	100.0
256.03799	27.8
257.43158	0.7
283.02518	67.7
284.03287	49.9
285.04080	75.0
327.56677	0.6
366.25983	0.7
426.08612	0.7
539.13318	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	539.1353
Annotation	Afzelone A
Peak:m/z	Relative Intensity
58.40809	1.1
59.01392	10.5
61.98833	2.0
65.00337	1.3
71.01391	2.3
75.33337	1.1
78.98731	0.9
83.01377	2.5
85.02971	1.3
101.02428	1.9
106.79532	1.1
107.01382	6.6
121.02934	1.3
133.02939	5.0
149.02475	2.0
151.00352	13.0
198.03362	1.1
211.04034	1.5
237.05611	1.6
243.12550	1.3
250.06340	6.3
251.07095	2.6
265.05093	8.1
270.05423	1.9
280.07391	1.9
297.04062	2.7
298.04977	4.2
309.04080	1.7
317.08249	2.3
345.07736	4.4
361.07330	4.6
372.06598	1.6
373.07095	2.7
374.07840	4.5
389.06610	15.1
401.06580	5.1
402.07556	54.6
403.08316	20.2
415.08286	5.9
417.06262	28.6
418.06995	5.0
430.06708	1.4
432.08566	78.4
433.09384	13.8
439.97769	1.4
445.09344	10.7
479.28592	5.8
539.13513	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	539.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11448	0.2
59.01383	0.3
60.99313	19.2
65.00330	0.4
80.11088	0.2
88.98805	100.0
96.29980	0.3
107.01397	1.5
109.81539	0.2
123.04543	0.3
125.02405	1.4
132.46423	0.3
150.03174	0.5
151.00395	4.2
151.03929	0.5
152.01149	0.6
178.99873	0.5
285.04095	2.4
303.05219	1.3
449.11047	2.9
565.70618	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83094	0.4
54.87312	0.4
58.89976	0.4
59.01103	0.9
59.01387	16.7
60.78355	0.4
60.99316	18.9
64.96834	0.5
65.00336	0.9
71.01376	4.1
73.02959	1.0
74.61430	0.4
75.00884	0.7
83.01395	1.8
85.02959	3.3
88.98810	100.0
89.02456	2.4
92.10793	0.6
93.03455	0.5
95.01380	0.5
96.96034	0.5
101.02451	3.0
105.75756	0.5
107.01393	2.4
108.02185	4.4
109.02959	4.7
113.02439	2.1
119.03498	0.5
123.04504	0.6
125.02412	2.6
135.04526	13.9
137.02434	1.7
151.00381	21.1
152.01144	5.4
153.01918	2.8
161.04547	0.7
169.01375	0.7
257.08136	2.7
287.05646	11.6
289.04080	0.5
351.16357	0.5
378.15677	0.6
438.10834	0.6
449.10959	16.6
479.25522	0.9
479.32318	12.8
539.17352	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	539.0992
Annotation	2,3-Dihydro-3',3'''-biapigenin
Peak:m/z	Relative Intensity
56.18046	1.5
58.38760	1.5
59.01387	23.0
61.98833	16.8
65.00325	4.2
71.01378	2.2
76.50116	2.0
83.01412	3.1
93.03490	3.2
101.02451	4.0
107.01426	4.8
119.05015	2.6
120.41915	2.3
123.04489	1.9
124.01684	4.2
125.02434	8.5
133.02989	2.0
136.01656	3.8
150.03214	3.0
151.00366	12.5
156.05836	2.9
159.04410	3.6
161.02463	3.4
161.06020	2.7
166.87358	1.7
169.06699	3.2
170.07283	3.0
171.04469	2.1
183.04709	2.1
191.14815	2.2
195.04422	1.9
201.05698	2.8
201.10905	2.3
203.07307	2.2
211.04047	3.3
213.05594	2.8
214.06326	3.7
215.07129	2.9
220.05376	2.1
220.45427	2.2
223.04059	2.4
225.05637	2.5
235.04091	2.4
239.03503	12.0
240.04251	3.4
243.03015	2.8
243.06621	37.8
251.03549	7.8
255.02968	2.4
267.02914	12.9
268.03781	4.5
279.03125	4.9
279.06424	1.9
280.03775	4.1
284.82410	1.9
289.07303	4.4
291.03177	2.2
292.03629	2.8
295.02521	90.5
296.03308	37.9
297.04089	17.5
308.03333	7.6
309.04129	2.7
315.10211	3.6
316.25934	2.1
320.03189	2.8
323.01950	4.4
323.05719	3.0
333.04123	7.7
343.09833	9.1
346.04678	2.7
347.05719	4.7
348.02783	2.7
349.03497	15.8
351.05151	4.5
359.05484	8.0
360.06305	8.7
361.03223	4.1
361.07257	8.8
364.02353	2.7
376.06030	2.6
378.03799	15.0
379.04593	34.3
387.08728	10.7
388.06235	2.8
404.05396	9.8
405.06158	12.7
415.08353	10.9
417.06696	2.3
421.07172	2.5
432.04907	3.3
433.05719	10.2
439.08292	9.8
467.11432	8.6
479.07718	3.2
479.31790	2.9
495.10947	43.5
511.10364	10.4
521.08936	2.7
539.09875	100.0
539.31976	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	538.1422
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97983	0.1
57.68581	0.1
59.01375	0.2
59.16220	0.1
61.98847	0.6
65.99859	0.2
71.26538	0.1
71.97770	0.2
72.32103	0.1
75.20014	0.1
88.67764	0.2
96.95999	0.3
123.00877	1.1
124.01649	3.7
134.50163	0.1
141.97876	0.2
153.00685	2.1
154.01471	100.0
155.01761	0.3
193.30209	0.1
209.86238	0.1
316.06757	34.0
317.06940	0.3
367.95322	0.2
404.87314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.215
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83000	0.1
55.01883	0.1
59.01381	3.5
60.01718	0.3
61.98832	100.0
70.46001	0.1
71.01369	1.1
73.02950	0.2
75.00900	0.1
82.72959	0.1
85.02971	0.5
87.00839	0.1
88.98787	0.2
89.02442	0.8
91.08298	0.1
92.10149	0.2
101.02444	0.8
103.45981	0.1
113.02467	0.2
125.02412	0.3
163.06094	0.2
167.10773	0.9
168.11104	0.9
169.11331	0.3
186.30386	0.1
191.41438	0.1
206.99834	0.2
271.02347	0.2
307.05042	0.1
338.00735	0.2
379.86417	0.2
475.57077	0.2
477.30783	0.5
478.31067	0.9
489.19382	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.099
Annotation	2,3-Dihydro-3',3'''-biapigenin
Peak:m/z	Relative Intensity
55.21954	3.4
59.01385	39.4
61.54919	3.5
61.62495	3.4
61.98841	76.2
62.66147	3.3
65.00378	6.2
69.47149	3.2
83.01391	4.6
85.02975	4.1
91.71522	4.1
93.23090	3.8
104.34409	4.1
107.01379	8.2
119.05022	16.9
125.02467	15.3
135.04520	5.8
137.02449	6.7
140.58035	4.1
145.49791	3.8
149.02557	5.0
149.06139	5.0
151.00420	32.9
173.06120	5.3
191.07237	5.8
201.05576	9.1
214.06412	4.8
223.04138	5.1
243.06741	22.3
251.03522	6.0
255.03120	3.9
267.02982	8.8
281.04926	5.2
281.08203	4.5
283.02390	5.1
293.04889	4.7
295.02527	100.0
296.03284	17.2
317.14063	5.8
331.05762	4.1
361.07281	21.6
366.93115	4.8
369.07733	7.5
387.08768	28.6
419.04065	9.7
420.05127	4.9
439.08478	18.7
495.10861	43.5
521.08972	6.3
539.09814	84.8
539.31848	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.329
Annotation	Virenamide A
Peak:m/z	Relative Intensity
55.01892	1.6
57.03456	5.9
58.00594	0.4
59.01388	14.8
60.99309	3.8
69.03497	0.4
71.01388	11.1
72.99318	0.4
73.02946	3.0
76.81893	0.3
80.78394	0.3
83.01394	2.5
84.95142	0.4
85.02956	4.3
87.00881	0.7
88.98265	0.6
88.98814	14.7
89.02444	3.1
91.24789	0.3
95.01410	0.8
96.96017	0.6
99.00883	0.5
101.02462	5.5
111.00905	0.3
113.02487	2.7
119.03550	0.5
121.02989	1.3
125.02460	0.8
137.02264	0.4
144.78185	0.4
151.00427	1.7
161.04578	0.5
163.00476	0.4
178.99844	0.5
197.15536	0.7
199.17059	1.5
209.42192	0.3
243.03072	0.5
244.99681	0.3
255.02992	2.0
271.02576	5.3
272.02615	0.3
300.02832	7.6
301.03510	5.7
331.17856	0.6
357.26523	2.8
375.27591	19.9
447.09393	10.4
477.23438	4.4
519.31781	2.4
537.32935	100.0
538.32996	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	537.3807
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34251	1.4
56.75543	1.6
59.01389	100.0
60.06691	1.4
69.85098	1.7
75.00896	9.3
96.31772	1.7
125.77131	1.9
149.60237	1.7
152.99316	1.8
177.09195	2.8
204.65195	1.9
212.89317	1.5
246.60057	2.0
379.63000	2.1
379.94675	2.0
389.39914	2.1
477.35965	7.3
522.65009	2.2
548.99683	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	537.3804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.39397	0.2
59.01385	100.0
61.22876	0.2
87.05954	0.3
99.04542	0.3
149.06064	0.3
150.06927	0.4
162.06879	38.3
163.07568	1.0
170.15083	0.3
170.71474	0.3
176.08496	2.0
177.09215	27.9
190.79274	0.3
191.07222	0.3
209.67740	0.3
217.32390	0.2
406.94064	0.3
444.32513	1.1
459.34729	2.4
477.35938	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	537.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08428	0.6
57.03459	1.5
58.00617	1.5
59.01387	100.0
62.21173	0.6
67.43061	0.7
71.01384	7.7
72.99310	8.9
77.45264	0.7
83.01396	1.0
84.99335	5.0
85.02986	3.0
87.00874	14.8
89.02442	12.5
92.10760	1.7
96.96014	1.3
101.02450	5.2
103.00390	23.0
109.02948	0.7
112.98817	42.4
113.02473	1.5
115.00361	0.8
117.29377	0.8
119.03507	3.8
119.05211	0.7
125.02464	1.5
130.99826	6.8
135.05923	0.8
149.00972	1.2
149.09755	5.9
153.09167	1.4
161.02495	1.1
161.04602	1.1
167.10748	9.5
175.03972	1.0
177.01933	1.7
179.05605	3.1
191.41998	0.8
272.31567	0.8
289.07346	1.4
375.14667	0.9
405.21420	18.0
433.26538	0.8
482.90686	0.8
537.22095	53.7
559.17908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.2197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.0
57.03468	2.4
58.00597	1.2
59.01386	100.0
71.01399	7.0
72.99303	9.3
73.02959	0.8
75.00892	1.5
77.86055	0.6
83.01400	0.7
84.99335	4.7
85.02930	4.8
87.00881	15.9
89.02457	9.9
96.96018	13.0
96.96966	1.0
101.02450	3.7
103.00377	23.6
111.00877	0.9
112.98825	40.1
113.02464	4.0
119.03510	5.2
119.04993	1.2
121.88670	0.7
124.82117	0.7
125.18906	0.7
129.01930	1.3
130.99852	6.4
135.04520	0.8
149.09703	7.4
151.99031	0.6
153.09212	1.2
161.04539	1.2
163.04034	1.1
167.10771	7.9
179.05695	0.8
191.08263	1.1
200.41975	0.7
205.06197	3.3
219.07802	2.6
277.78323	0.7
339.12057	3.0
364.14624	0.7
405.21420	12.1
472.37167	0.7
501.17230	3.4
537.22003	63.8
538.22913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.3288
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89585	0.7
54.13450	0.7
57.03469	0.9
59.01387	26.2
61.98838	6.5
71.01382	3.6
85.02943	1.2
92.65914	1.0
101.02411	1.2
101.35738	0.9
102.45497	1.0
113.02460	1.4
117.46592	0.9
123.00868	1.9
125.02431	4.2
134.02718	1.2
137.02443	5.2
150.03223	1.1
165.01941	4.9
166.99846	1.6
168.00710	1.3
169.01363	2.0
169.12411	3.4
174.90619	1.0
188.33878	1.0
203.58655	0.9
271.05942	1.2
288.06454	1.7
297.24228	1.5
300.53384	0.9
308.79468	1.0
313.23892	1.3
315.16037	1.6
315.25458	100.0
329.26688	3.1
370.63220	1.0
420.64108	0.9
447.73654	1.1
475.27347	1.3
518.51300	1.0
537.14539	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	537.1836
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	2.2
57.03455	1.4
58.00609	2.1
59.01389	98.0
68.52538	1.1
69.03459	9.0
69.12094	1.2
71.01385	76.9
72.99322	4.7
73.02943	17.1
75.00889	5.3
81.03473	4.9
83.01405	7.5
85.01051	7.7
85.02962	12.1
87.00885	5.4
89.02450	100.0
92.10210	1.9
95.01379	2.1
97.02957	16.0
99.00891	14.9
101.02446	14.8
103.00407	1.7
108.63815	1.6
111.00922	2.4
112.98847	2.0
113.02448	9.8
115.04007	10.6
116.92963	2.3
125.02457	45.7
127.04024	1.3
131.03516	7.1
143.03462	1.6
145.03192	1.5
149.00826	1.5
149.04599	11.3
153.01959	50.9
161.04610	1.9
168.04303	38.5
172.14879	1.0
173.25958	1.2
183.06625	9.8
184.98938	1.3
187.04140	1.3
191.05669	6.8
231.03180	2.4
233.06700	26.4
252.80061	1.3
293.08853	82.0
301.03757	7.0
315.05426	1.7
347.50977	1.1
349.13208	6.5
405.22284	1.4
477.16241	7.7
537.16400	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.1413
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99766	0.4
57.03464	4.9
58.44589	0.4
59.01400	12.1
61.98825	0.5
65.41266	0.6
67.01906	1.0
67.59991	0.5
69.03469	2.3
71.01397	3.6
72.99327	0.7
81.03466	0.8
83.01408	2.9
85.03027	0.6
87.00900	0.6
88.98825	2.0
89.02459	2.9
92.49625	0.5
95.01402	1.0
97.02956	3.2
101.02451	3.8
105.26330	0.5
107.01451	0.7
109.02976	4.0
111.00866	0.6
113.02439	0.8
121.02977	1.1
122.03713	0.9
123.00890	3.1
123.04529	0.9
124.01660	2.5
125.02455	100.0
135.04552	0.7
137.02461	14.6
145.02980	0.5
146.03784	1.3
149.02533	0.8
150.03236	0.8
151.04065	2.4
159.04514	0.8
164.01169	10.0
164.04800	0.8
165.01929	8.2
166.99869	2.8
167.03465	1.0
168.00647	2.5
169.01443	94.6
172.05232	0.6
173.06088	2.3
174.03223	2.1
175.07610	4.0
176.04837	0.9
177.01929	1.1
179.03326	0.7
183.04582	1.0
190.02652	0.9
191.03607	0.6
193.01419	3.0
200.04836	1.1
203.07195	4.1
203.28377	0.5
213.09259	0.6
215.07257	0.6
221.08246	3.1
223.07608	0.7
225.05603	0.9
229.08733	3.1
240.07957	0.8
241.08792	2.3
245.08279	0.9
247.09775	0.7
255.10172	0.8
265.07166	3.1
271.06384	1.0
281.11661	0.6
289.07309	2.0
291.10464	0.6
294.60666	0.6
297.11249	0.7
299.12955	0.7
315.08841	1.2
323.13135	1.8
331.04575	3.5
340.85104	0.5
366.24872	0.7
367.11884	7.2
374.26712	0.8
385.13058	7.1
477.30206	4.7
526.94061	0.7
537.14233	2.1
537.32983	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	537.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18546	1.2
57.03447	5.4
59.01388	28.4
61.98822	1.5
70.70174	1.4
71.01382	12.1
81.03475	2.2
83.01385	2.1
83.08651	1.2
85.02952	5.0
87.00864	1.6
88.98782	3.2
89.02466	3.4
95.01389	2.5
96.15636	1.3
97.02938	2.5
98.32215	1.3
99.00910	1.8
101.02449	7.2
102.59265	1.3
109.02976	2.9
111.00911	1.3
113.02467	3.2
115.95559	1.3
123.00889	2.9
124.01665	2.7
125.02447	98.1
126.00754	1.6
135.04498	1.5
137.02460	19.5
146.03708	1.5
149.01007	2.3
149.02380	1.4
151.04019	2.5
164.01161	10.9
165.01895	7.6
168.00607	1.6
169.01439	100.0
175.04057	1.9
175.07639	2.0
177.01952	1.6
189.45360	1.6
193.01369	2.4
201.05438	1.5
203.07091	2.5
204.66698	1.5
211.03999	1.5
221.08278	2.2
229.08696	2.7
241.08633	2.6
265.07138	3.0
289.07166	3.3
301.03271	1.7
367.11807	6.3
375.27548	5.9
385.13071	6.3
477.30859	15.3
502.05652	1.6
536.31787	2.5
537.32385	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	536.1264
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.8
61.98842	100.0
69.03505	0.7
69.72412	0.6
81.18686	0.7
87.00893	1.1
93.03439	2.6
96.96003	1.6
108.71070	0.8
109.02955	6.4
135.04517	10.0
137.02428	3.3
149.06084	7.8
161.02454	0.8
161.06131	1.4
171.04489	0.9
179.86076	0.9
189.05638	8.2
207.06696	8.3
311.07730	0.9
413.10965	7.6
443.12106	1.2
473.13177	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	537.0634
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35118	0.1
55.38868	0.1
59.01383	0.1
75.00855	0.7
78.95901	37.6
85.02954	0.2
87.00858	0.2
89.02426	0.2
92.10723	0.2
96.96959	100.0
103.07116	0.1
105.83148	0.1
129.01945	0.2
158.92543	1.7
175.23579	0.1
175.33197	0.1
176.72142	0.1
176.93610	7.3
194.94681	6.4
194.96098	0.1
195.05110	1.5
195.70316	0.1
227.70755	0.1
245.12135	0.1
385.93716	0.2
400.43198	0.1
428.69958	0.1
432.45847	0.2
439.08661	10.9
478.52057	0.1
484.84515	0.1
490.42917	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	537.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41986	0.5
56.32141	0.5
56.78931	0.5
59.01387	4.6
60.99321	17.1
61.31186	0.5
65.00329	1.0
65.01637	0.5
71.01418	1.4
73.02961	0.7
77.18973	0.6
84.98289	0.6
85.02979	1.1
88.98812	100.0
95.07331	0.7
100.79839	0.6
101.02434	1.5
107.01418	3.0
108.02188	0.7
109.02987	1.1
113.02495	1.1
121.02950	1.4
124.15166	0.7
148.01724	0.8
149.02490	1.0
151.00381	11.1
163.00389	3.1
176.33199	0.8
178.99940	5.4
211.04066	0.8
227.03488	1.2
229.05141	0.8
243.02913	6.3
255.03033	19.3
270.99603	1.2
271.02515	35.0
272.02957	0.9
283.02539	0.9
300.02789	63.6
301.03552	40.6
331.17670	1.0
356.61490	0.8
447.09409	74.2
448.09927	0.9
477.23431	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	535.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	9.1
74.58546	2.2
76.58037	2.5
85.02907	2.5
88.38487	2.5
92.10776	4.7
92.66132	2.5
95.45534	2.2
107.19064	2.3
125.02469	5.5
132.24611	2.4
135.03023	2.5
143.05051	9.0
175.48668	2.5
185.06099	11.7
209.99519	2.4
227.07173	100.0
329.81085	2.2
348.92023	2.2
535.18237	27.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2404
Annotation	Unknow
Peak:m/z	Relative Intensity
56.92797	1.2
57.03473	2.1
58.00620	1.5
59.01387	75.1
59.15528	1.3
61.98836	2.3
69.03477	1.6
69.65960	1.6
71.01375	22.9
73.02947	13.7
75.80114	1.5
85.02981	8.5
87.00868	2.8
87.04507	1.9
88.98824	1.7
89.02466	15.2
92.10126	1.7
97.02978	2.3
101.02458	18.3
103.04039	13.7
113.02510	2.7
119.03500	2.8
125.02464	13.4
127.04072	1.7
143.03571	3.2
145.05118	2.6
163.06137	17.4
167.10791	100.0
237.15480	1.7
238.69283	2.1
247.08133	2.0
287.22360	1.8
307.10397	17.0
387.11194	1.8
491.28683	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01410	32.4
61.98841	94.8
61.99131	8.0
87.04575	7.7
107.79833	7.8
111.31349	7.2
147.86827	6.6
152.50520	6.2
155.10747	11.0
184.93991	7.6
305.25647	7.5
337.23911	100.0
535.26892	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	535.183
Annotation	Lysidiside P
Peak:m/z	Relative Intensity
57.96754	0.2
59.01386	2.2
67.32449	0.2
71.01379	1.9
72.99329	0.3
73.02963	0.9
73.44687	0.2
83.01407	0.4
85.02980	1.0
87.00895	0.9
87.04528	0.2
89.02445	0.4
93.03420	0.2
96.95999	0.3
98.95605	0.4
101.02476	0.9
113.02502	0.5
114.43085	0.2
115.03992	0.2
116.88786	0.2
116.92919	0.4
119.05030	0.5
131.03508	0.2
141.07169	0.9
143.03859	0.3
143.05037	8.1
145.02962	0.3
151.00386	0.3
151.04022	0.2
157.06616	1.4
159.08168	3.5
181.06618	1.2
182.07387	1.2
183.08185	3.9
185.06111	16.0
225.05609	1.2
227.07187	100.0
228.07503	0.5
262.47510	0.2
269.08063	0.3
271.02380	0.3
300.02817	0.4
301.03461	0.4
340.09406	0.3
371.11288	1.0
373.26331	0.3
389.12546	1.4
396.35422	0.2
534.22931	0.3
535.18317	30.9
535.31512	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1829
Annotation	Lysidiside P
Peak:m/z	Relative Intensity
52.19877	1.4
59.01392	8.9
71.01392	7.7
83.13657	1.6
85.30891	1.7
87.00903	2.6
87.63375	1.7
96.95957	1.6
101.02498	2.2
103.51624	1.7
106.01164	1.8
125.02462	3.5
135.03090	2.6
143.05064	4.3
152.09097	2.0
185.06100	22.0
227.07169	100.0
306.57660	1.9
406.96033	2.1
448.41861	2.0
456.84991	1.9
535.18372	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1681
Annotation	Unknow
Peak:m/z	Relative Intensity
55.91320	1.3
56.74883	1.3
57.03470	2.8
59.01394	95.7
59.01693	3.4
71.01392	50.9
72.99292	5.6
76.58116	1.5
83.01420	2.8
85.02968	16.8
89.02454	61.4
95.01384	2.3
96.96019	12.1
96.97001	1.7
101.02445	31.4
107.05004	2.2
113.02462	24.5
117.30500	1.7
119.03501	30.1
121.02954	8.8
125.02440	3.2
128.90167	2.5
129.01933	3.2
129.05608	1.5
131.03505	1.6
149.93567	2.0
151.04005	6.5
156.01297	1.7
161.04623	2.4
163.01949	1.8
165.01952	2.8
177.01999	1.6
179.05663	3.8
295.08411	2.4
313.09369	100.0
313.12793	3.7
364.01031	1.7
427.87451	1.8
501.85675	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92660	0.4
59.01389	0.8
61.01479	0.4
76.81260	0.4
78.04243	0.4
78.10002	0.5
78.10533	0.3
84.00337	0.5
87.00868	4.1
93.03481	0.7
99.24419	0.5
103.92059	0.6
104.92771	0.4
106.04262	2.9
107.05037	17.8
108.02172	1.8
109.02989	0.5
119.05053	0.5
121.02941	4.2
133.02974	2.4
133.06599	10.3
133.07516	0.8
135.04532	2.1
149.06085	23.2
151.03983	0.7
177.04025	0.9
177.05580	26.5
179.03514	40.7
195.06624	3.1
221.04582	1.8
239.05632	100.0
240.06110	0.8
244.82272	0.5
290.99359	0.5
341.00882	0.7
369.04092	0.4
376.45776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2823
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06358	0.9
59.01409	2.4
61.98856	6.3
64.73927	1.0
78.95905	16.9
92.10637	1.8
92.65662	1.2
95.25089	1.1
107.03020	1.1
107.91488	1.2
140.01221	5.5
152.99635	1.7
163.56493	1.3
174.62186	1.2
178.92682	1.0
196.03850	10.5
231.27460	1.1
244.52589	1.2
248.85332	1.1
255.23351	100.0
269.25549	1.3
452.27951	46.0
452.34192	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	533.1633
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80310	0.2
57.03464	1.0
59.01393	1.8
65.09501	0.2
66.82906	0.2
68.16276	0.2
71.01370	0.5
79.64032	0.2
80.79713	0.2
83.01409	0.3
85.02956	1.8
87.00898	0.2
89.02499	0.2
89.05338	0.2
93.62266	0.2
93.69067	0.2
96.96028	0.8
98.95595	0.3
99.08152	0.2
101.02465	0.8
111.00892	0.4
113.02441	0.2
114.93398	0.2
119.05041	0.2
123.00873	1.9
124.01662	4.8
125.02444	0.3
129.01956	0.8
130.08739	5.3
132.98212	1.3
134.48619	0.2
153.00696	2.6
154.01476	100.0
163.11314	0.8
172.09836	2.2
179.07133	0.2
182.93510	0.2
184.02347	0.2
205.03561	0.9
223.04628	0.3
232.13602	0.2
233.03479	0.3
257.06882	0.3
294.09360	0.2
308.59253	0.2
316.06769	31.5
387.16602	2.1
415.41528	0.2
427.12387	0.4
533.19226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1673
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66687	0.1
57.03458	0.2
58.80170	0.1
59.01384	3.6
61.98844	0.2
71.01389	1.0
73.02970	0.2
75.50164	0.2
85.02972	0.8
89.02442	0.8
96.96007	0.4
99.04458	0.2
101.02456	1.0
107.01389	0.2
113.02464	0.2
119.03558	0.2
125.02458	0.4
133.46004	0.2
133.50806	0.2
137.02452	0.2
144.32231	0.2
151.60583	0.2
155.05215	0.2
157.06552	0.2
158.34000	0.2
161.04588	0.2
180.05809	5.3
181.06599	10.7
183.04514	7.2
189.20630	0.2
196.05310	0.7
197.06155	0.2
211.09236	0.2
224.04794	1.2
225.05597	100.0
226.05940	1.0
249.05563	1.0
255.03090	0.2
267.06741	0.3
323.09509	0.2
351.09000	0.2
369.09875	3.0
387.10934	0.4
473.27872	0.2
533.16742	19.0
556.07196	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63982	0.7
51.00082	0.8
52.75446	0.8
53.06881	0.7
57.03456	1.0
59.01395	2.3
60.01477	1.0
68.29343	0.8
71.01375	1.8
76.26901	1.0
83.01441	1.2
87.00906	1.9
96.96012	5.8
97.02986	4.0
103.25096	0.9
109.02966	40.6
109.03686	1.8
123.04518	8.8
125.02468	1.6
133.02844	0.9
133.06642	1.0
135.04530	100.0
137.02422	2.2
143.05035	4.8
146.03758	1.9
147.04526	1.8
148.05333	4.3
149.06100	53.3
151.04054	4.1
159.04535	3.8
160.05138	1.2
161.02458	1.8
161.06113	24.6
162.03233	2.1
163.07664	5.1
165.05574	6.2
169.01381	1.1
171.04530	8.0
173.06049	0.9
174.03255	8.1
175.03865	1.2
177.05573	13.1
179.03500	6.0
188.04771	1.6
189.05602	66.1
191.03575	1.0
207.06659	56.5
219.06604	1.9
221.04610	15.0
231.06682	6.6
235.06146	6.1
239.05626	6.4
249.07721	3.4
251.05611	2.2
255.05119	6.8
271.08499	1.1
297.09845	3.8
311.07925	12.8
311.11261	1.7
369.11893	4.0
383.09842	4.2
397.11621	1.5
401.11075	5.4
411.13449	1.3
413.11011	31.9
443.12106	7.6
455.12021	1.8
458.22855	1.2
473.13077	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	533.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.2
59.01386	1.1
61.22332	0.2
71.01412	0.3
73.02956	2.1
75.00896	0.2
85.02986	0.4
85.18369	0.2
88.98808	0.2
89.02450	0.2
92.10753	0.2
99.00869	0.8
99.92589	9.4
116.92860	100.0
117.01939	2.8
117.92845	0.9
125.02451	0.7
150.88754	0.2
177.01888	0.2
179.03459	0.3
185.21696	0.2
331.24731	0.2
387.16650	0.4
485.03683	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.1309
Annotation	6,8-Di-C-beta-D-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
57.03455	1.3
58.60223	1.2
59.01387	14.6
60.13026	1.0
61.98858	1.1
65.00307	1.2
71.01387	4.4
73.02953	9.2
73.74065	1.1
85.02962	2.1
89.02460	2.3
94.86253	1.2
96.95423	1.2
96.96033	4.9
101.02470	1.9
103.04001	10.0
107.01405	1.1
113.02470	1.4
141.72220	1.1
151.00325	8.8
161.04610	1.7
163.00446	1.5
178.99809	1.7
219.62241	1.4
226.02545	1.5
227.03511	2.5
243.03046	17.7
254.02242	2.5
255.03041	31.9
271.02527	82.0
272.03162	2.4
299.01990	11.0
300.02798	100.0
301.03549	14.5
392.69025	1.2
429.08231	1.9
473.27554	2.7
503.12186	6.9
515.12030	22.7
533.05658	2.0
533.13080	27.9
533.30121	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	532.1678
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52504	0.3
69.13565	0.3
71.01378	1.8
72.00896	0.7
73.02954	0.6
77.19225	0.3
85.02956	1.9
87.88922	0.3
92.84253	0.4
95.01385	0.5
101.02418	0.7
104.32206	0.3
108.02177	77.3
109.02964	27.2
110.96478	0.3
113.02446	0.6
121.02955	0.6
123.00931	0.5
123.04510	0.5
133.02934	0.6
144.03029	1.3
151.03999	1.5
152.01164	68.9
153.00677	0.8
153.01945	23.6
163.03961	1.2
165.01930	1.7
188.22731	0.3
195.03064	0.4
245.61423	0.4
315.07278	100.0
316.07642	1.3
368.77179	0.3
396.68695	0.4
433.23740	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.0945
Annotation	Kaempferol 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.74365	1.1
56.89575	1.0
59.01398	18.7
63.55458	0.9
63.78112	1.1
71.01398	5.7
82.95436	1.4
85.02980	4.7
85.15741	1.1
88.98798	2.6
89.02465	2.7
92.10030	2.0
93.03455	1.9
96.96027	6.5
98.95619	2.3
100.23935	1.3
101.02458	2.6
107.01399	4.2
109.02917	2.4
125.02464	2.6
125.15677	1.1
135.00922	1.8
143.05052	1.6
143.73907	1.4
151.00385	2.8
151.04028	1.2
152.01115	1.1
158.27362	1.1
161.02382	1.3
163.00349	2.3
163.04062	1.1
171.04469	1.6
177.96571	1.1
178.99828	1.8
180.05713	1.8
181.06602	4.6
183.04495	6.0
185.06131	2.1
187.04094	1.9
189.05664	1.2
199.03867	1.6
211.03963	1.6
213.05565	1.7
225.05609	48.4
226.37138	1.2
227.03523	40.3
227.07018	1.3
229.05136	15.2
239.03496	1.8
241.05037	1.6
255.03008	87.6
256.03735	5.0
257.04630	8.9
281.86118	1.1
284.03287	100.0
285.04074	91.3
337.89713	1.2
442.02643	1.3
463.87701	1.4
473.27634	2.3
489.10458	49.9
533.16608	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0816
Annotation	Unknow
Peak:m/z	Relative Intensity
55.30018	0.1
56.32785	0.1
57.03448	0.2
57.18454	0.1
59.01389	0.9
71.01390	0.3
73.91700	0.1
78.95913	0.8
79.95736	2.1
86.37832	0.1
89.84812	0.1
92.10737	0.3
93.05647	0.1
95.21681	0.2
96.96011	100.0
101.96567	0.1
103.00323	0.2
124.01665	0.2
125.02458	0.2
126.98933	0.1
151.00372	0.9
152.01181	2.5
177.15163	0.1
178.99872	2.3
205.86665	0.1
259.06128	0.3
269.04529	1.3
287.05630	0.2
314.62918	0.1
433.06104	0.2
433.11499	2.9
501.76566	0.2
532.02704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14962	0.2
54.82734	0.1
56.26852	0.1
59.01403	0.4
63.02403	0.2
65.00321	0.2
65.89772	0.2
71.01408	0.2
82.90004	0.1
89.02441	0.2
89.03967	0.7
91.01913	0.4
96.96003	0.3
101.02452	0.2
107.01373	0.2
108.52821	0.2
109.02956	0.7
121.02938	0.2
123.04532	0.3
125.02454	0.3
133.02972	1.9
135.00879	0.8
149.02443	0.3
149.99666	0.2
153.01913	0.2
177.01942	100.0
217.17506	0.2
279.80045	0.2
293.08841	0.3
340.16248	0.2
545.03278	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06441	9.3
50.08910	9.3
54.21841	10.0
59.01408	12.6
89.73497	13.4
152.62131	13.0
164.04770	55.7
184.75375	11.8
227.20078	15.7
369.07608	13.0
417.97162	12.8
493.35635	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	529.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75082	50.6
54.83132	57.4
106.24247	55.5
165.81676	63.7
176.78079	57.3
226.11581	56.5
311.45990	81.5
340.85571	64.1
529.31915	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	530.3024
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05549	0.4
61.98847	2.3
78.95900	17.1
108.89905	0.4
134.63341	0.4
152.99599	2.4
168.04306	2.1
224.06931	7.9
242.08116	0.7
243.63133	0.5
255.23325	100.0
432.59027	0.4
480.31052	52.4
528.95789	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	531.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	3.0
59.01397	3.5
59.09634	0.7
60.99320	19.9
61.92801	0.6
69.03485	1.1
71.01400	1.4
73.02950	0.6
81.03478	1.3
83.01417	2.5
85.02982	2.8
88.98821	91.7
93.03481	1.0
95.01430	0.8
95.05053	1.2
96.96024	0.8
97.02975	3.6
99.04531	0.6
101.02467	0.8
109.02962	10.7
111.00908	1.0
116.29481	0.5
121.02940	1.3
123.00932	1.2
123.04526	4.5
125.02455	77.7
129.68427	0.6
135.04559	0.8
137.02487	7.3
139.04021	1.4
140.01199	1.0
140.09480	0.7
141.96568	0.7
145.02989	3.5
146.03769	0.7
149.02466	2.7
151.04042	8.0
159.04573	1.2
161.06117	3.2
164.01201	0.6
165.01927	2.8
166.99867	0.8
168.00670	1.0
169.01445	100.0
175.07716	0.9
179.03529	1.1
185.06009	1.1
187.04022	2.6
188.04813	2.6
188.43582	0.8
193.01472	5.2
201.05579	0.9
202.06407	1.0
203.07227	6.5
205.03397	0.9
205.05084	3.0
221.08310	1.0
223.04723	4.3
227.07137	0.9
245.08194	10.0
253.05092	0.9
271.06119	4.9
288.56351	0.6
289.07227	37.4
303.05405	2.2
304.59671	0.6
331.04730	0.8
441.08350	42.2
442.08737	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07017	0.2
58.73388	0.2
78.95899	1.8
79.95730	1.5
86.11664	0.2
89.62550	0.2
92.10767	0.3
96.96007	100.0
96.96997	2.9
97.95897	0.2
104.12427	0.2
125.02455	0.4
227.03580	2.6
229.04890	0.3
233.35622	0.2
238.37442	0.3
255.03011	3.2
256.03680	0.3
284.03262	3.3
285.04086	2.5
431.09866	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	529.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82576	1.6
59.01392	2.3
65.66653	1.4
86.63302	1.4
93.03487	1.7
108.02186	1.5
109.43886	1.4
121.02965	3.1
124.88857	1.6
131.80939	1.5
135.15205	1.5
225.05646	5.9
226.06381	3.2
241.08896	2.3
273.09171	2.1
276.08148	2.5
287.07089	1.6
288.08115	3.0
289.08765	40.8
303.06668	6.6
304.07498	2.4
316.07529	6.6
317.08286	46.1
318.08920	35.0
319.09735	25.3
330.08673	2.0
332.06955	19.3
332.10638	26.2
333.07626	9.3
333.11368	39.4
347.09305	47.2
348.10120	21.7
362.11725	35.0
363.12473	39.2
469.16620	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	529.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84732	0.6
57.03479	0.8
59.01384	11.6
61.98826	1.1
62.75635	0.7
68.91429	0.7
71.01388	5.7
73.02945	0.6
74.83383	0.7
78.95915	1.4
84.95145	0.6
85.02959	0.7
86.20918	0.8
87.00900	0.9
89.02445	5.3
93.19962	0.6
101.02453	4.7
113.02466	1.6
116.92896	1.3
119.03495	0.8
128.75003	0.7
128.75940	0.6
132.41423	0.6
141.73970	0.6
142.23856	0.7
161.04543	2.5
179.05650	0.9
179.14432	1.0
195.13924	13.1
205.12334	0.8
223.13419	7.7
225.15138	0.8
228.13705	1.1
236.56735	0.7
253.09329	20.9
256.13248	1.3
275.20236	5.1
293.21271	100.0
294.21564	1.0
408.82266	0.8
447.13193	1.1
526.75177	0.8
537.27576	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3306
Annotation	Unknow
Peak:m/z	Relative Intensity
56.16492	4.3
57.41402	3.6
59.01383	4.5
64.13605	4.0
81.28901	4.0
92.10789	14.3
122.03728	47.2
136.05342	8.0
137.06088	39.1
137.24597	5.0
139.15247	4.5
193.08687	9.6
231.36157	4.9
238.88501	4.4
493.35471	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	528.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52523	1.4
57.03455	2.3
59.01392	9.2
61.98834	94.5
65.00329	15.3
67.83769	1.5
71.01385	2.8
71.32074	1.7
83.01401	10.8
87.86603	1.6
92.10045	1.8
100.51142	1.8
103.00954	1.8
105.93914	1.8
107.01405	25.3
109.02909	1.7
116.92899	2.6
123.00874	1.8
123.04556	2.5
124.01678	7.1
125.02452	30.5
137.02393	2.3
139.04077	2.2
149.02446	11.6
150.99164	3.8
151.00381	100.0
151.04004	15.4
152.01186	30.0
164.01167	1.8
165.02008	2.5
166.02730	34.6
167.03506	12.4
169.01385	9.2
175.00366	7.0
177.01852	2.8
178.99860	49.1
179.01295	3.3
191.03534	1.7
192.00598	3.5
193.01440	18.9
215.03535	17.6
255.02940	2.6
257.04486	3.3
258.89401	1.7
259.95883	1.8
273.04190	2.1
283.02371	2.5
289.07172	3.2
301.03577	50.4
313.09387	9.9
318.03940	3.0
319.04617	8.4
339.07263	10.5
447.09351	3.4
465.10373	50.8
478.69022	2.0
524.40240	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	528.1002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45499	0.7
57.03466	2.2
59.01375	12.0
61.98834	100.0
65.00325	12.7
67.83935	0.9
71.01390	1.4
83.01382	8.1
85.02979	1.7
88.69662	0.9
89.02481	2.0
95.01402	2.0
96.96011	14.2
99.34445	1.0
101.02444	4.3
107.01393	25.5
109.02978	1.8
121.02920	1.0
123.00931	2.4
124.01669	6.9
125.02444	25.7
130.08751	6.3
132.08357	0.9
139.04037	3.9
141.01904	0.9
149.02460	6.5
151.00383	96.3
151.03972	12.7
152.01166	32.6
153.01988	2.0
166.02725	30.3
167.03517	10.8
169.01407	5.3
171.63849	1.1
175.00406	7.2
178.98392	2.0
178.99873	43.4
187.03976	4.0
189.01889	1.4
189.05696	1.4
191.03558	4.8
192.00691	5.0
193.01466	15.9
211.04024	1.4
214.02910	1.1
215.03564	14.5
231.02997	2.4
233.04623	1.6
239.03659	1.4
255.03032	3.9
257.04514	4.1
273.04126	2.0
283.02338	3.6
287.17584	8.4
288.17960	5.8
301.00043	1.7
301.03564	50.6
305.18781	3.5
306.19232	1.5
313.09402	4.4
318.03876	6.0
319.04776	8.3
323.51175	1.0
339.07300	13.1
349.17233	1.1
447.09409	4.8
465.10474	51.0
468.29062	1.2
527.16644	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.1369
Annotation	Unknow
Peak:m/z	Relative Intensity
57.20016	0.7
57.29536	0.6
57.79074	0.8
59.01384	6.1
59.85146	0.8
72.99326	4.8
75.96767	0.8
87.00874	13.6
88.71405	0.8
90.97816	0.8
96.96014	3.9
103.00385	3.2
107.05021	1.0
111.00911	0.8
134.03757	7.4
135.04532	99.7
139.06363	1.1
144.03053	4.7
149.00928	70.5
150.67094	0.9
159.02904	0.9
160.04085	1.6
179.03511	100.0
202.89203	1.1
216.08691	1.2
240.94664	0.9
311.04172	7.8
315.16763	0.9
355.06979	0.9
554.52625	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.287
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64665	5.5
59.01397	38.5
61.98839	8.3
65.51929	5.8
71.01398	14.4
72.19447	5.8
75.00889	12.9
85.02978	32.9
98.28874	6.4
113.02486	17.7
162.13501	8.5
267.07346	12.3
277.21707	77.9
527.28546	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	527.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	15.0
71.01388	2.2
77.50406	1.8
83.61349	1.7
85.27541	2.1
89.02476	4.0
93.89214	1.9
95.56033	1.9
101.02439	2.7
108.55168	1.8
111.08186	15.2
114.82710	1.6
179.10570	2.1
195.13907	9.7
248.18159	1.8
253.09271	11.2
291.19690	100.0
361.07190	2.7
467.85910	2.1
527.28271	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	527.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47329	57.6
59.00203	64.6
59.73551	63.0
61.98832	95.1
62.72582	82.9
83.59216	82.0
164.49539	88.2
291.66391	95.5
491.33588	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	527.3599
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92012	2.7
57.03462	4.0
58.00610	3.8
59.01388	24.5
61.98839	30.8
71.01385	5.6
73.02952	19.2
74.16467	3.2
81.03462	9.1
83.01389	6.8
87.04527	8.4
99.04523	4.0
107.01376	5.1
109.02982	8.5
121.06600	18.8
123.04548	39.2
125.02419	21.3
134.03806	3.9
135.08160	7.6
137.06088	7.0
139.07658	96.0
151.00409	26.3
151.04059	5.2
153.09282	4.0
162.06892	79.4
163.18706	3.4
165.02025	4.0
166.06375	4.7
167.03522	53.1
177.09204	60.5
209.11729	3.6
240.67429	3.9
293.46866	4.0
331.24811	5.4
356.88486	4.1
359.09134	14.4
375.12344	6.2
387.27606	100.0
483.33453	20.2
509.34784	17.8
527.35791	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	527.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	56.8
60.84651	4.3
61.98846	21.2
63.93384	3.8
66.38021	4.4
71.01387	25.1
73.02956	8.1
88.98812	6.0
89.02459	20.6
101.02440	23.2
103.13995	4.7
113.02435	7.3
119.03496	9.1
125.02423	5.9
134.03734	5.9
135.04562	6.2
148.17978	4.8
161.04500	5.5
178.71548	4.9
179.05609	5.7
184.90315	5.0
214.23877	5.2
301.18051	8.4
319.19128	9.0
481.24533	100.0
542.29144	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	527.2871
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	3.9
71.01381	59.2
81.03474	2.8
83.05041	7.4
84.02209	1.7
93.03452	10.1
95.05033	2.1
95.16978	1.7
102.19075	1.5
109.06602	2.0
121.06557	1.7
125.09742	3.9
127.11316	2.3
163.11287	7.9
165.09151	1.8
171.10292	21.7
181.12395	2.8
185.11885	1.9
189.12869	2.2
201.11378	16.7
207.10283	4.1
209.11871	100.0
211.07639	2.2
225.11311	13.4
227.12898	3.1
233.11902	1.8
239.07103	1.7
241.08684	3.9
251.12881	7.7
253.08731	2.4
347.12680	11.5
509.20038	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	526.1574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.53343	0.2
59.01401	1.0
61.98834	100.0
67.41415	0.2
74.02435	0.2
75.79116	0.2
88.98827	0.5
108.02215	0.4
122.05945	0.3
125.02441	0.3
134.03763	2.0
135.04121	0.4
136.01677	0.6
137.01979	0.7
149.02402	0.3
149.06018	1.1
150.03218	1.2
150.06415	1.1
151.04041	3.4
152.04366	2.1
153.04504	1.5
165.05603	3.0
165.06779	0.4
166.05908	1.9
167.06038	0.5
167.51566	0.3
188.44305	0.3
193.68518	0.3
275.31366	0.3
301.10907	1.1
302.11224	2.0
303.11337	2.3
304.11679	1.3
389.78436	0.3
420.74847	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	527.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.1
60.99323	0.6
61.98837	1.2
70.49367	0.6
76.97160	0.6
84.33594	0.7
88.98814	4.4
109.02940	0.9
112.22543	0.6
113.30338	0.6
119.05081	0.6
125.02406	0.7
125.06042	0.7
133.02953	0.8
135.04547	5.0
143.05029	5.8
145.03030	1.0
146.03787	5.6
147.04538	16.6
151.07681	1.2
159.03336	1.1
159.04544	14.4
161.06073	8.2
161.23238	0.8
163.07764	0.7
171.04547	21.2
172.05281	1.1
173.06082	2.5
174.03230	3.1
175.04039	6.5
175.07742	5.7
187.03966	4.4
188.04807	1.3
189.05611	50.2
189.09172	2.7
200.04843	1.2
203.07266	1.4
204.07753	0.9
217.08759	3.5
265.05008	0.7
267.06705	1.1
279.06555	0.7
291.06534	0.9
293.08276	4.5
307.09708	1.4
321.11584	1.0
329.23331	1.1
335.09372	0.9
336.10120	56.6
365.14014	100.0
366.14285	1.3
465.31903	0.7
483.33215	2.7
486.90698	0.7
527.12244	0.9
527.19519	18.7
527.26691	0.6
527.35638	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	525.292
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82652	4.0
55.01897	5.3
57.03460	5.8
59.01384	79.6
59.83673	4.8
61.98817	5.6
71.01376	43.0
72.37526	3.7
73.02943	19.9
76.57610	4.4
83.01408	21.0
85.02972	27.9
87.30116	4.4
88.98811	4.8
90.37562	4.0
92.10808	10.8
95.01370	6.3
101.02457	47.6
113.02468	4.7
124.55055	4.1
161.02592	4.1
172.00375	4.2
181.32008	4.0
319.21231	73.9
449.60199	4.4
465.27078	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	526.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74346	0.3
55.59145	0.3
59.01378	0.5
61.98829	0.8
63.48527	0.4
65.00327	0.6
73.71762	0.4
76.96710	0.4
80.44642	0.4
82.35009	0.4
83.01376	0.5
99.84828	0.4
107.01411	2.1
109.02959	1.6
124.01645	2.6
136.01682	0.5
137.02438	4.4
144.30917	0.5
151.00391	9.8
152.01097	0.7
163.00391	2.0
164.01167	1.8
169.01457	0.7
171.98114	0.8
178.99869	7.1
190.99828	0.5
192.00612	0.6
199.04053	0.6
214.02716	8.3
215.03563	0.4
227.03586	0.9
236.62204	0.5
242.02263	6.8
243.03017	5.1
244.03664	0.5
255.02933	0.5
259.02509	7.6
270.01703	7.4
271.02524	43.8
287.02023	24.6
288.02820	1.0
316.02280	100.0
317.03067	17.1
463.08911	80.1
464.09161	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.64469	1.1
54.83161	1.1
55.01873	2.3
57.03460	2.3
58.00594	1.4
59.01384	85.5
69.03451	1.8
71.01381	46.0
72.99306	1.6
73.02945	29.4
83.01388	12.1
85.02946	25.6
87.00890	6.3
88.98827	2.1
89.02441	30.0
92.10132	1.6
95.01361	1.7
96.96025	1.8
97.02922	2.3
99.00856	2.7
101.02444	61.5
101.03097	2.6
103.04028	10.7
113.02465	17.2
115.04018	2.7
119.03474	9.4
124.30658	1.8
125.02459	12.1
127.04007	1.6
131.03503	6.2
138.89250	1.3
143.03542	12.0
145.05087	2.0
159.03023	1.9
161.04579	9.1
163.06122	25.6
169.01482	2.2
179.05638	1.4
205.07166	12.0
247.08034	1.3
265.09314	6.0
319.17743	16.0
325.11230	1.7
373.56470	1.6
463.08334	1.7
465.23535	100.0
466.01373	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62828	1.1
55.01893	2.4
57.03460	1.9
59.01385	84.6
59.32790	1.3
71.01377	46.6
73.02950	23.9
75.00888	1.1
76.67754	1.3
83.01414	9.0
85.02951	22.4
87.00869	2.9
88.98814	1.8
89.02442	24.1
93.03426	1.4
95.01368	1.8
97.02943	2.4
99.00891	5.3
101.02441	57.6
103.04023	8.9
108.02148	2.0
109.03010	1.5
113.02457	15.5
115.04035	4.8
115.39151	1.2
119.03486	9.6
119.05032	2.4
121.03004	2.5
122.03764	2.2
123.04556	5.2
125.02443	9.6
131.03499	5.4
135.04503	2.9
137.06172	1.4
142.57858	1.2
143.03546	11.4
145.05023	1.7
161.04575	10.3
163.06137	29.9
205.07115	9.4
215.93073	1.4
257.11905	7.1
265.09317	6.3
285.11356	1.9
303.12384	22.5
319.17657	13.3
359.08276	1.4
465.23486	100.0
519.90808	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	525.1931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82898	3.1
59.01394	19.1
60.06957	3.1
61.98833	6.4
69.24463	3.9
93.03452	19.7
107.05063	7.6
108.02200	8.9
109.02959	17.4
116.92775	4.2
119.05031	25.1
121.02933	16.1
123.04523	25.3
133.02956	22.1
134.03734	9.1
134.98318	4.2
135.04544	57.3
147.04498	6.8
149.06108	27.4
159.04507	20.1
162.06799	4.2
209.09749	4.0
239.07162	69.1
253.05040	8.2
253.08749	62.9
255.03023	34.5
256.03668	21.2
265.05002	6.2
265.08649	4.5
267.06619	23.4
269.08200	24.4
283.02515	27.1
283.09839	46.9
284.03253	22.6
285.04260	6.3
318.72189	4.0
389.13968	100.0
425.13605	4.1
525.12018	8.1
525.19733	6.1
525.34631	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	525.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	11.3
61.98843	8.6
62.68248	1.4
79.45488	1.9
87.00876	2.7
91.01915	26.1
93.03478	2.5
102.07711	1.6
108.02197	8.1
114.24906	1.8
117.03409	2.0
119.05038	1.8
121.02966	7.7
133.02975	28.5
134.03761	32.3
135.00906	37.7
135.04533	86.9
143.05016	2.4
148.01703	16.2
149.00830	2.0
149.02441	7.7
149.91139	1.8
153.01942	35.3
161.02422	2.5
168.82805	1.7
169.06567	3.8
180.00635	11.5
181.06532	1.9
182.07468	2.1
182.89458	2.3
185.06175	2.9
195.08333	2.0
197.06087	9.4
199.04060	8.0
201.05643	15.6
208.05360	10.2
209.06082	3.1
213.05556	4.2
222.06906	8.3
224.04816	3.7
225.05621	18.7
226.02956	2.2
227.03557	14.0
236.04863	3.0
237.05627	3.5
239.07141	12.1
240.08017	11.1
241.05122	17.1
241.08734	43.0
251.07130	9.9
253.04951	2.7
255.10368	2.5
268.07419	4.2
269.04605	100.0
269.07495	3.7
270.05441	20.9
271.06146	33.4
280.43991	1.9
283.09958	15.7
283.12698	2.2
323.48535	1.7
505.73315	2.0
525.18658	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	525.1201
Annotation	Daphnodorin A
Peak:m/z	Relative Intensity
57.03458	1.0
59.01389	5.5
61.98834	100.0
63.02390	1.5
65.00342	8.9
70.74632	1.0
73.02938	1.2
83.01401	4.3
93.03455	2.2
107.01391	13.2
108.66663	1.1
119.05016	4.7
122.02995	0.9
125.02453	5.3
137.06018	1.3
149.02501	1.8
151.00378	19.4
157.12326	4.1
191.42935	0.9
193.01402	9.6
211.13452	1.1
238.06499	1.2
239.07169	1.6
255.03015	9.8
256.03763	2.0
258.46674	1.2
265.05127	1.7
267.06577	1.2
275.07321	1.4
279.06567	1.4
283.02338	1.7
284.03326	7.0
285.03918	7.2
286.04468	2.4
329.11911	2.1
335.21957	1.2
345.11469	2.0
373.10861	13.2
405.06335	2.1
525.12018	73.9
525.34894	8.9
526.11993	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	525.1259
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
55.69959	0.5
59.01392	2.4
71.01389	1.0
71.05014	6.4
77.03963	1.3
83.01377	1.4
85.50642	0.5
89.00342	1.2
92.10664	1.0
93.03474	2.9
95.01408	1.2
95.05038	5.4
97.02946	22.5
97.38013	0.5
106.00597	1.1
109.02982	1.4
121.02956	30.1
123.00861	5.0
125.02477	4.8
137.02452	29.1
138.03236	2.1
139.04018	100.0
145.03162	0.6
153.05585	12.8
163.03964	1.1
165.01941	97.3
166.99886	4.7
167.03499	0.8
169.01462	2.2
177.01901	1.1
182.02264	7.6
183.03011	4.2
197.04581	21.3
289.07571	0.6
330.34421	0.6
345.08337	43.4
409.53033	0.6
525.13867	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1993
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89220	0.3
52.84643	0.4
55.73691	0.4
59.01392	2.1
59.64842	0.4
61.98841	100.0
71.01395	0.6
76.58127	0.4
89.02438	1.0
89.50914	0.5
92.10055	1.7
99.00856	0.5
101.56094	0.4
107.01385	0.8
125.02380	0.6
129.34567	0.4
151.00391	1.7
167.05099	0.5
183.98874	0.4
187.03954	0.7
227.03619	0.9
229.05066	0.9
255.03018	2.4
257.04550	1.0
284.03262	2.8
285.04123	8.4
524.12177	0.6
525.11755	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	524.3604
Annotation	Unknow
Peak:m/z	Relative Intensity
57.51195	0.5
58.14629	0.5
59.64711	0.5
61.25684	0.5
61.98838	100.0
138.70398	0.5
162.09859	0.6
165.89792	0.6
177.47856	0.5
241.04723	0.7
271.54755	0.7
345.38547	0.6
453.50900	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68107	0.7
55.45568	0.8
59.01400	5.2
61.98835	100.0
74.31889	0.8
88.98777	7.9
96.96064	1.1
113.02445	0.9
118.53036	0.8
125.02451	2.2
145.08612	0.9
165.05583	1.2
172.04784	1.1
243.02888	6.9
257.04559	1.6
271.02490	8.7
278.21320	1.1
280.13013	1.0
285.04102	2.3
286.04904	1.0
299.02011	4.1
314.04407	11.0
315.05099	5.6
351.99677	1.0
461.11008	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	523.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.7
61.98839	0.6
71.01382	5.5
73.02947	1.7
79.90253	0.4
80.02704	0.7
81.03470	0.9
83.01398	0.9
83.05030	4.3
84.02198	0.6
85.02966	2.3
87.00851	0.7
88.52270	0.5
88.98814	0.6
89.02442	4.2
89.02935	0.4
92.10789	0.9
95.01389	0.6
95.05041	0.6
101.02449	6.2
113.02472	3.1
119.03506	0.8
128.04593	0.4
161.04564	2.6
163.11279	4.9
165.12866	2.8
173.56148	0.7
191.10799	1.8
209.11864	100.0
210.12166	0.7
227.12914	13.0
253.09285	11.3
304.78650	0.5
354.10333	0.5
372.46130	0.6
463.21780	6.3
523.31348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2559
Annotation	Glabcensin P
Peak:m/z	Relative Intensity
57.03461	2.5
59.01390	100.0
69.03467	2.8
71.01398	26.7
72.99309	2.1
73.02950	15.7
75.00880	1.5
77.67512	1.2
83.01422	6.5
85.02973	7.7
87.00895	1.9
89.02465	8.1
96.96001	1.9
97.02974	9.3
99.00882	1.5
101.02454	24.2
104.68163	1.6
105.78174	1.8
113.02445	11.9
119.03587	1.6
123.31455	1.5
125.02417	10.1
137.36595	1.5
165.12946	2.1
169.01447	8.3
249.14969	2.6
257.19162	5.4
275.20313	3.2
301.18204	8.1
319.19269	3.5
463.23343	3.0
471.44827	1.7
481.24591	6.2
523.25092	3.0
523.34875	2.1
524.81970	1.7
536.14111	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	47.4
61.98842	5.9
71.01385	10.9
77.68736	6.4
89.02469	24.5
95.24169	7.7
96.95995	27.6
113.02376	6.2
116.92857	29.0
117.03482	11.8
119.05003	100.0
134.41702	6.8
139.84283	7.4
145.02971	98.5
159.36899	6.3
163.04015	87.3
250.23254	6.6
260.88025	6.2
281.22610	6.4
299.11343	9.4
325.09296	58.1
378.17636	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
57.25626	0.1
59.01389	0.4
59.57765	0.1
61.40759	0.1
61.91080	0.1
62.09954	0.2
73.02949	3.0
74.92742	0.2
97.02946	0.2
99.00885	0.8
99.92583	8.0
101.02532	0.2
113.32070	0.2
116.92861	100.0
117.01934	3.9
117.92877	0.3
127.07629	0.2
159.92943	0.2
181.18987	0.2
223.61568	0.2
285.29541	0.2
301.16516	0.3
314.49402	0.2
410.50357	0.2
424.71381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01380	2.7
61.14098	0.4
61.38617	0.3
73.02967	0.8
80.50344	0.4
92.10109	0.8
96.96027	1.5
98.95591	0.3
99.00883	0.4
99.92590	9.6
112.94087	0.4
116.92868	100.0
116.97277	6.9
117.01972	1.5
117.92887	0.7
120.07349	0.4
121.02879	0.5
125.02543	0.5
161.55356	0.3
165.01837	0.4
203.09148	0.4
233.88467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2405
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	9.7
61.98839	0.6
71.01382	5.5
73.02947	1.7
79.90253	0.4
80.02704	0.7
81.03470	0.9
83.01398	0.9
83.05030	4.3
84.02198	0.6
85.02966	2.3
87.00851	0.7
88.52270	0.5
88.98814	0.6
89.02442	4.2
89.02935	0.4
92.10789	0.9
95.01389	0.6
95.05041	0.6
101.02449	6.2
113.02472	3.1
119.03506	0.8
128.04593	0.4
161.04564	2.6
163.11279	4.9
165.12866	2.8
173.56148	0.7
191.10799	1.8
209.11864	100.0
210.12166	0.7
227.12914	13.0
253.09285	11.3
304.78650	0.5
354.10333	0.5
372.46130	0.6
463.21780	6.3
523.31348	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	2.0
60.99311	17.1
62.14336	0.4
73.02931	0.4
88.98804	100.0
89.02438	0.6
96.96020	0.6
101.02467	0.6
116.02086	0.4
117.75724	0.4
119.03474	0.3
152.01151	0.8
162.13818	0.3
174.23180	0.4
178.99834	1.6
184.61696	0.4
196.01958	0.4
209.11864	0.9
227.07106	0.8
228.07573	0.4
291.01285	0.4
427.93942	0.5
433.11560	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	523.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12761	0.7
59.01392	10.1
77.11997	0.8
85.02955	0.8
87.00891	1.1
93.03439	0.8
96.96013	1.4
99.92598	8.3
111.00883	4.3
116.92862	100.0
116.97240	9.0
117.01897	0.8
117.03413	0.9
119.05027	74.8
123.59521	0.8
125.02411	1.0
145.02980	7.1
149.02443	4.5
163.04021	85.4
164.04828	11.8
179.07149	16.4
227.09259	4.7
325.09344	28.0
523.13104	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	523.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23190	0.5
54.76196	0.4
57.03457	5.9
58.23978	0.4
59.01386	0.8
64.29456	0.4
67.01892	2.5
69.41998	0.4
69.83639	0.4
71.01396	2.1
73.02975	0.6
74.69630	0.4
78.20098	0.5
85.02953	28.0
87.00876	48.9
96.96031	0.5
111.00887	100.0
113.02443	0.6
115.00357	0.6
125.02416	2.1
129.01968	5.7
130.99872	0.9
132.04623	0.4
147.02998	1.0
163.04041	0.6
169.01456	2.2
173.00955	3.7
175.02649	0.8
183.05692	1.6
191.01993	67.8
199.08727	0.8
211.08658	0.7
225.10367	2.4
267.11401	0.7
331.06665	2.6
368.32953	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2612
Annotation	Unknow
Peak:m/z	Relative Intensity
55.77618	1.4
57.03461	2.0
59.01395	100.0
59.01695	4.0
59.65506	1.7
61.98840	3.1
71.01393	28.2
73.02963	15.7
83.01431	1.9
83.06007	1.6
83.68140	1.6
85.02972	11.7
87.00866	3.9
88.06969	2.0
89.02450	27.3
92.10790	4.1
95.01338	1.9
99.00909	2.4
101.02448	26.9
103.04025	8.3
109.60716	1.9
113.02464	7.1
119.03508	10.9
125.02398	3.3
131.03513	7.5
143.03519	9.1
163.06148	29.5
205.07147	10.9
287.83286	2.1
299.19061	1.9
312.37024	2.1
315.18146	3.0
337.71634	2.2
461.23972	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.261
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47971	0.8
55.01896	1.0
58.00616	1.4
59.01390	100.0
61.98845	1.3
69.03469	1.4
71.01392	37.3
71.01778	1.7
72.99315	3.7
73.02949	21.3
73.19478	0.8
81.03491	1.3
83.01409	5.9
85.02955	14.6
87.00893	6.6
87.04518	1.8
89.02446	35.1
93.61064	0.9
95.01373	1.0
97.02934	2.0
99.00906	1.3
101.02443	29.9
103.04015	13.4
107.01389	1.9
113.02454	9.7
115.04013	5.1
119.03497	8.7
125.02416	9.8
131.03499	9.2
143.03514	10.2
145.05089	3.7
149.04613	4.4
151.00348	3.5
163.06136	33.7
167.10788	34.5
169.29901	1.0
191.05602	1.4
205.07187	11.9
215.03477	1.1
217.05269	1.0
236.82561	0.8
257.04590	1.3
265.09363	3.0
293.08789	8.3
299.05640	48.9
307.10538	1.6
315.18326	1.4
325.11417	1.0
336.61984	1.2
351.34964	1.0
436.50452	1.2
461.10995	1.9
461.24142	13.2
521.33264	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	521.2249
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
61.98819	4.4
71.01390	49.5
73.02969	7.6
81.03477	3.6
84.61855	3.8
85.02982	7.2
87.00886	6.4
89.02441	46.1
94.58066	3.8
101.02457	20.2
113.02454	5.9
125.02489	4.5
131.03485	8.2
137.02493	3.7
142.43054	4.2
149.00938	9.2
149.04565	9.3
155.51184	3.7
167.10776	62.9
286.04562	4.4
293.08844	40.3
461.23630	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	521.2036
Annotation	Woorenoside XI
Peak:m/z	Relative Intensity
54.01760	0.3
54.83241	0.3
55.01891	0.3
55.28115	0.3
55.76961	0.3
57.02326	0.3
57.03446	0.3
59.01386	3.1
65.72295	0.3
71.01398	1.5
71.15792	0.3
78.91920	0.4
83.01408	0.4
85.02975	0.7
92.10118	0.4
96.96018	0.4
101.02451	0.8
108.02209	0.9
109.02964	20.6
113.02466	0.4
116.92877	0.7
119.67126	0.4
121.06595	0.4
123.04527	1.7
125.02444	6.8
126.02798	1.8
135.04456	0.7
137.02448	0.8
137.06104	0.4
137.63985	0.4
159.03331	0.6
159.04538	9.7
161.04518	0.7
161.06004	0.5
169.01445	5.6
169.86252	0.4
170.01761	3.3
171.04550	0.6
172.02016	0.4
173.06105	6.6
177.05659	0.7
188.04778	0.6
189.05573	6.2
190.06451	0.7
191.07126	4.0
195.04398	0.4
203.07248	3.1
203.08856	0.4
213.05664	0.7
224.04842	0.5
225.05641	0.6
240.04291	3.5
241.05099	17.0
251.07153	0.7
255.06682	11.8
256.07416	0.7
265.08640	1.3
267.06653	2.3
269.08264	3.5
271.09940	0.5
281.08240	2.2
283.09854	0.8
295.09824	1.5
296.10397	0.4
298.08548	0.7
299.09259	12.8
313.10880	14.8
319.83047	0.3
326.12003	0.4
327.12518	1.6
329.10358	7.3
343.11728	3.1
344.12704	44.4
359.15060	100.0
360.15372	0.6
389.18100	1.6
391.23370	0.4
521.20544	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	521.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83307	2.7
54.83424	3.3
55.01893	5.2
57.03455	4.1
59.01389	77.0
59.27314	3.4
60.99317	3.4
63.57813	2.6
64.41846	2.5
71.01382	38.9
73.02969	7.5
81.04015	2.7
81.81094	3.0
85.02972	5.5
87.00890	6.9
88.98794	2.8
89.01964	3.3
89.02475	18.3
92.10817	15.3
101.02464	19.4
108.02123	3.9
108.08212	4.2
109.02982	19.4
111.00893	4.4
113.02486	7.3
116.92828	25.5
119.38798	3.8
119.80830	3.1
122.03861	3.7
125.02449	8.2
135.66971	3.6
146.21808	3.5
156.95288	3.6
159.04538	5.0
177.01903	3.9
241.05099	13.5
255.06659	6.0
273.11343	20.9
281.08163	4.7
300.02747	5.1
313.10806	6.8
344.12708	32.8
359.15073	43.8
419.90573	3.7
491.91394	4.1
521.20392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01657	0.6
55.01892	4.1
57.03455	1.8
58.00613	1.1
59.01387	58.6
71.01388	30.1
72.99306	1.6
73.02937	5.8
76.58534	0.8
83.01399	4.9
85.02954	12.8
89.02440	12.9
92.10764	0.9
95.01399	1.4
99.00893	2.9
101.02456	16.0
107.21492	0.7
108.02192	1.2
109.02965	14.1
113.02461	7.4
119.03495	6.2
123.04512	0.8
134.73653	0.8
159.04578	5.1
172.05290	0.9
173.06024	6.5
178.47562	0.8
179.60976	0.7
185.06081	2.8
187.07628	0.9
189.05582	3.7
191.07066	1.5
203.07236	1.0
225.05652	1.2
225.56262	0.7
227.07152	11.1
240.04211	1.0
241.05124	11.6
241.76424	0.8
253.05072	1.5
255.06699	7.1
267.06720	3.0
269.08234	1.1
281.08179	3.3
283.09753	1.6
291.39496	0.7
295.09842	4.4
296.10406	0.8
299.09277	7.9
311.09402	6.3
311.12543	0.9
313.10983	11.5
326.11707	6.3
329.10382	3.9
341.14026	4.2
343.12000	1.4
344.12692	30.8
345.13373	1.5
359.15082	65.7
506.58572	0.8
521.20386	100.0
522.21069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1996
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.4
63.93627	0.3
71.01392	2.3
71.05048	0.6
72.00909	37.4
72.04555	2.8
96.96030	1.8
98.02469	10.9
98.28265	0.3
100.04040	4.7
108.02184	4.0
109.02947	1.3
111.00895	3.7
119.05084	0.4
126.05608	0.4
137.02470	0.4
144.03043	100.0
152.01144	2.7
153.01927	1.6
173.01051	0.4
216.08795	35.4
223.90164	0.4
289.56137	0.4
315.07230	3.9
324.97040	0.4
533.85004	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46028	0.8
59.01384	4.5
66.23939	0.8
68.07934	0.9
70.98935	0.9
75.57823	1.1
79.50513	1.0
89.03970	5.0
93.03452	27.6
106.04248	1.4
108.02197	4.4
109.02971	10.4
119.05022	31.8
121.02958	4.1
132.02145	2.1
133.02960	25.3
134.03745	4.7
147.04483	1.9
149.06123	8.9
159.04430	1.4
163.91672	0.9
186.48442	1.0
196.76613	1.0
206.07333	1.1
207.08163	2.4
209.06180	1.6
209.09766	1.0
211.07610	1.4
212.69379	1.5
235.07724	1.5
237.05556	5.9
238.06349	6.9
239.07178	20.5
249.05630	15.4
250.06271	2.5
251.07144	14.2
253.08711	18.9
261.05423	1.4
263.07190	7.4
264.07849	3.7
265.08725	3.9
267.10297	1.8
275.07059	1.4
277.08655	1.4
281.11829	4.5
291.06638	3.9
291.10339	1.1
305.08228	1.6
307.09665	1.2
321.11301	6.6
371.09009	2.1
371.12927	10.9
371.16852	1.3
383.09085	1.4
385.10812	10.2
386.11664	4.1
399.12521	2.2
401.14029	5.4
413.13574	1.6
415.15601	1.7
418.14844	1.1
425.39459	1.1
427.15234	1.4
521.19739	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	62.9
59.01688	2.7
61.98854	3.8
64.61727	2.6
67.48383	2.3
71.01383	12.4
71.49348	2.2
84.92922	2.3
85.02946	3.8
87.00868	3.3
88.98776	4.6
89.02457	6.1
96.96005	20.9
99.92635	4.3
101.02471	3.4
105.25051	2.5
111.04546	2.7
114.93413	3.2
116.92866	55.1
125.02466	3.7
137.02396	3.9
165.01917	37.1
166.98399	2.4
175.86194	2.5
177.01959	15.8
180.04323	77.5
192.04272	22.6
195.06653	100.0
207.06615	37.0
210.05379	12.4
225.07663	31.9
292.02567	2.8
374.58435	3.3
375.16611	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	521.1979
Annotation	Baeckea frutescens 6
Peak:m/z	Relative Intensity
55.65399	0.7
57.30146	0.8
59.01404	1.1
61.63372	0.7
65.03977	1.1
73.20502	0.7
89.03980	5.9
93.03471	20.5
106.04256	5.9
108.02169	4.9
109.02962	7.7
117.03479	2.2
119.05032	76.0
121.02959	1.7
123.04494	1.4
130.22406	1.0
132.02176	1.2
133.02962	19.9
143.05093	1.3
145.02992	1.2
147.04524	1.5
157.06642	0.9
165.96477	0.9
171.04549	1.1
176.16383	1.1
194.65117	1.0
207.08156	1.8
209.06129	2.0
209.09752	1.1
211.07701	1.2
224.04671	1.0
233.09720	3.6
235.07675	1.4
237.05547	2.2
238.06367	4.0
239.07216	9.9
247.07684	1.3
248.04636	1.4
249.05563	4.0
250.06331	1.5
251.07149	11.4
253.08737	14.4
263.07205	6.1
264.04291	1.1
264.07950	5.0
265.05014	6.1
265.08575	1.8
275.07175	5.3
276.07831	1.5
277.05490	1.5
277.08685	18.1
278.05847	4.1
279.06595	7.3
280.07397	1.2
281.11816	4.5
291.06714	1.3
293.08224	2.0
295.06699	1.8
295.09808	32.7
304.07632	0.9
305.08231	1.1
306.09314	2.9
313.08911	0.9
321.11450	6.5
371.09146	4.1
385.10913	10.0
386.11838	1.8
399.12335	5.8
400.13080	2.2
401.14221	9.0
413.14191	7.1
415.15613	1.7
521.19763	100.0
522.20020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.1669
Annotation	Lysidiside L
Peak:m/z	Relative Intensity
59.01385	4.7
61.53922	0.5
68.97459	0.6
71.01376	4.3
71.08836	0.5
85.02966	0.9
89.02496	0.7
99.00889	0.6
101.02468	1.1
105.42461	0.6
107.01405	0.8
109.02983	1.2
113.02435	1.0
114.34676	0.6
125.02459	2.9
129.69543	0.5
143.05048	5.0
145.02946	0.7
152.01172	1.3
159.08195	1.1
169.01450	3.2
177.01952	3.4
178.99901	0.7
183.08212	2.8
185.06075	11.9
207.10291	1.2
225.05595	1.0
225.11369	2.8
227.07164	100.0
229.08656	0.9
237.91798	0.7
248.42328	0.6
269.04666	0.9
311.17395	0.7
389.12427	2.4
431.95059	0.6
461.20615	0.7
521.16962	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	521.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80411	0.5
57.03455	0.7
58.00616	0.6
59.01382	27.6
71.01382	8.3
72.97454	0.6
73.02932	0.9
83.01387	0.9
85.02964	4.3
87.00879	4.0
89.02445	9.2
93.03455	51.2
95.01392	1.1
96.96025	6.1
96.96949	0.7
99.00892	1.0
101.02442	6.1
108.02202	4.5
109.02962	3.0
111.00920	7.3
113.02466	6.0
119.03512	3.7
121.02973	1.4
122.03770	6.0
123.04521	1.2
125.02456	1.3
134.03725	3.0
135.04510	1.6
136.01698	5.1
137.02452	100.0
138.02768	0.9
144.04581	1.5
147.06583	1.0
149.02452	0.7
149.06084	3.8
151.04027	1.5
152.01147	3.2
153.01880	1.1
161.04597	1.3
179.03511	16.1
191.02019	1.2
216.08768	1.1
219.07626	1.4
239.05605	8.9
256.61032	0.7
268.68201	0.7
299.07767	54.6
315.07288	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	521.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61931	0.7
59.01390	5.6
60.87944	0.8
64.34448	0.8
65.21262	0.9
66.58791	0.9
69.62563	0.8
74.56785	0.9
80.78462	0.8
84.97359	1.0
96.07229	0.8
109.03014	1.0
119.05035	1.6
125.02458	1.1
133.02980	2.0
135.04541	1.7
139.84805	0.9
149.02431	1.1
150.35324	0.9
152.99483	1.2
161.02550	1.1
193.06635	1.1
209.11848	1.2
220.23882	0.9
221.06026	5.2
225.05486	1.3
239.07191	3.4
248.04930	1.5
249.05629	26.5
251.03526	1.1
251.07326	1.2
254.05743	1.2
265.05087	24.3
266.05890	10.4
267.06635	7.6
291.02994	4.4
293.04617	100.0
294.05212	13.4
295.06110	1.3
308.03152	2.1
309.04050	7.6
314.79147	1.0
326.04370	40.1
373.10773	1.9
400.09589	91.5
401.10330	7.1
521.16144	47.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.1676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53378	0.2
59.01380	1.5
71.01384	0.3
84.63063	0.2
89.02458	0.3
101.02443	0.4
109.02961	0.3
116.92826	1.6
121.02990	1.8
125.02430	0.5
136.05301	3.2
139.69885	0.3
145.02925	0.3
151.02760	6.4
151.03951	0.4
152.53883	0.2
166.05103	100.0
167.05432	0.4
169.32076	0.2
183.01730	2.0
185.06027	0.4
226.05917	0.3
227.07175	2.3
286.02234	0.2
387.04108	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.0943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13197	0.3
52.01987	0.3
58.34576	0.3
58.35763	0.4
60.35146	0.4
60.99313	20.2
76.65432	0.3
76.89620	0.3
81.05672	0.3
84.82178	0.4
88.98808	100.0
96.14881	0.4
120.16598	0.4
202.31126	0.3
227.03520	0.8
249.16405	0.4
255.02887	0.7
284.03134	0.6
431.09799	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	1.2
55.76988	1.0
57.03461	1.6
59.01387	100.0
61.98846	1.3
65.76923	1.2
66.47205	1.0
71.01382	19.6
72.99318	1.6
73.02941	14.1
85.02964	6.6
87.00893	6.2
89.02448	11.6
95.16268	1.2
97.02934	1.6
101.02438	22.6
103.04021	5.1
107.01293	1.1
113.02497	2.6
115.04045	1.6
119.03490	2.5
131.03508	2.0
131.32005	1.2
134.01619	1.3
143.03587	1.4
145.05019	1.5
158.20126	1.4
161.04549	1.7
163.06168	17.8
205.07254	8.8
271.02628	1.7
284.26965	1.2
399.23621	5.1
417.25140	6.3
459.26703	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.8
57.03449	1.3
58.00595	1.1
59.01384	100.0
67.96663	0.8
69.31342	1.0
71.01382	20.1
72.99324	2.2
73.02946	16.7
77.86300	0.8
83.01406	1.4
85.02962	11.1
87.00890	6.9
87.04535	1.8
89.02437	12.0
92.10725	2.2
92.65958	0.9
96.96029	1.0
99.00874	0.9
101.02439	24.0
103.04014	12.7
104.54177	1.0
113.02438	1.6
115.04002	4.9
119.03518	4.3
131.03506	5.1
143.03482	4.8
145.05072	1.6
160.81932	1.2
163.06143	22.6
199.13385	1.2
205.07216	7.5
242.39278	0.9
399.24222	1.9
417.25131	1.8
459.22089	1.5
484.17349	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75769	1.0
54.83293	1.1
57.03448	1.4
59.01384	29.3
61.98853	1.3
68.16518	1.0
69.03456	1.8
71.01407	7.0
73.02952	1.2
83.01425	1.4
85.02973	1.5
89.02478	5.2
91.26330	1.3
101.02471	5.8
113.02499	2.0
117.17159	1.1
125.02439	2.0
161.04515	1.9
167.10805	4.6
179.14438	6.0
195.13905	12.8
205.12383	10.6
223.13426	100.0
253.09288	11.2
459.22394	12.2
519.31757	1.4
534.01202	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83456	49.6
56.71300	40.0
59.01386	100.0
76.18931	43.0
100.56379	44.7
119.79334	47.1
175.76654	55.7
179.71193	54.8
503.90683	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3908
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	100.0
63.42791	3.6
65.07497	4.4
90.07580	4.1
139.19920	4.1
194.99295	4.5
504.23654	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	518.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88370	0.2
54.83213	0.3
59.01387	0.3
66.74889	0.2
66.75257	0.2
67.48306	0.2
68.52699	0.2
69.81417	0.2
71.01059	0.2
71.01370	2.2
71.05025	1.1
72.00906	37.2
72.04547	3.5
72.99314	0.5
84.62041	0.2
87.00935	0.4
96.96027	1.3
98.02468	12.7
100.04042	6.8
101.02523	0.3
108.02163	0.4
111.00909	0.3
113.69654	0.3
115.00379	0.4
135.04527	1.1
141.91400	0.3
144.03036	100.0
145.03416	0.4
152.01132	0.3
175.02509	0.3
216.08803	33.0
279.66653	0.3
315.07236	0.3
342.35751	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.1726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25296	0.5
55.19320	0.7
59.01389	94.1
71.01392	16.8
72.99323	2.9
72.99709	0.6
73.02958	1.1
83.01406	1.2
85.02966	5.0
87.00901	5.7
88.98903	0.6
89.02453	16.1
96.96027	3.9
101.02447	11.5
103.00397	0.8
109.02982	1.2
112.98810	1.3
113.02472	7.0
116.92853	3.6
119.03506	5.2
123.04552	0.7
123.59516	0.6
124.82018	0.7
125.02438	1.3
127.25895	0.7
130.99905	0.9
134.03740	1.3
135.54289	0.6
137.02347	0.7
149.01007	1.4
149.02435	4.7
149.04674	0.6
153.01845	0.6
160.01582	0.7
163.11299	5.0
164.04803	7.8
175.04027	1.4
179.07222	4.6
207.10309	12.5
297.09882	10.6
343.82196	0.6
345.64938	0.6
369.15668	0.8
387.16669	100.0
388.16980	0.9
519.17023	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	517.2215
Annotation	Echitamidine-N-oxide 19-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
52.58414	7.5
52.65722	6.8
57.03484	9.4
57.28110	7.3
58.66767	8.8
59.01388	23.1
64.28973	7.6
70.76052	9.4
71.01398	14.0
73.02942	16.3
77.01588	8.9
84.23125	8.6
86.05361	8.2
92.10735	22.1
123.08170	48.9
139.03926	8.7
141.09262	12.9
148.54755	8.7
184.62425	8.9
473.34921	45.0
499.32895	35.3
517.22186	100.0
517.34125	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	517.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83432	2.3
55.01886	2.8
57.03448	4.2
57.71269	2.3
59.01385	100.0
61.98836	6.7
67.52399	2.7
67.53738	2.7
71.01381	53.6
73.02953	31.3
76.42833	2.7
83.01414	15.4
85.02956	29.3
87.00905	3.9
89.02448	5.1
95.01381	4.1
97.23992	3.1
99.00891	6.0
101.02447	58.9
107.55415	3.6
109.02943	3.7
113.02434	24.6
125.02455	6.5
139.03981	10.8
141.09250	6.0
145.03023	4.0
159.03001	5.6
161.04575	23.8
163.03946	4.9
166.02252	3.1
187.06294	3.3
269.08249	32.0
291.50858	3.0
291.72626	3.6
311.15073	51.8
457.20840	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1359
Annotation	Medicarpin 3-O-(6'-malonylgluclside)
Peak:m/z	Relative Intensity
59.01382	2.1
59.55504	0.2
64.34711	0.3
71.20826	0.2
73.02966	0.2
76.76141	0.2
83.01421	0.3
85.02940	0.3
90.22176	0.2
101.02478	0.4
109.02966	1.5
119.05075	0.4
121.02958	4.4
122.03745	37.0
124.01649	2.4
133.12625	0.2
137.02440	4.2
141.03934	0.3
141.09201	0.5
147.04541	35.2
153.01920	0.6
154.02733	5.2
159.04608	0.4
163.14854	0.3
212.76425	0.3
223.07738	0.3
254.05826	0.4
269.08234	100.0
270.08585	0.5
413.12503	1.1
431.13501	4.0
438.79913	0.2
473.14618	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	517.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05043	0.7
55.01899	1.5
57.25624	0.9
57.60706	1.0
59.01387	29.1
65.00340	0.9
71.01385	8.3
73.02959	0.9
75.00885	6.0
83.01385	16.3
85.02960	2.5
87.00904	1.8
89.02442	1.8
93.03463	29.5
93.04016	1.7
95.00806	0.9
95.01407	2.4
96.96014	1.4
97.02958	1.3
101.02428	2.0
107.01414	1.8
107.05020	1.4
110.00076	1.2
111.00888	87.7
113.02467	5.2
117.03445	1.8
119.03592	1.8
119.05022	24.4
121.02975	1.1
123.04548	1.7
124.01675	1.2
125.02435	8.5
125.31645	1.2
129.01918	1.9
130.67432	1.0
131.05000	2.0
132.05824	1.9
133.02945	2.0
133.06609	31.7
135.04547	1.9
137.02458	2.0
143.05063	1.1
145.02972	18.7
145.06633	5.0
147.04535	2.1
149.02458	1.1
149.06078	1.5
151.00395	8.5
151.04018	1.9
153.96013	1.1
159.04520	2.3
161.06097	100.0
163.04056	10.8
163.07625	4.4
165.01991	1.3
166.02693	1.3
167.03520	1.7
173.06076	23.5
175.04039	1.8
177.05548	8.6
189.05582	1.2
191.07211	8.3
192.84134	1.1
198.13849	1.1
201.26596	1.2
202.02769	1.1
203.03482	2.1
203.07187	9.1
205.05087	34.5
212.37355	1.1
215.07205	2.5
217.05046	6.3
221.04594	6.6
229.05029	1.6
233.08153	1.9
247.06067	2.0
251.09280	4.5
259.06082	1.2
277.07205	17.8
279.05063	1.1
295.08267	59.5
301.03662	2.3
303.07239	7.8
353.12378	1.6
367.10373	56.1
397.11346	32.5
402.49219	1.1
409.11374	2.1
457.14072	2.5
481.09869	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	516.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59358	0.2
53.52185	0.2
54.82944	0.3
59.01402	0.3
61.98839	100.0
142.61076	0.3
177.32678	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.004
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63023	0.4
52.60007	0.5
53.56350	0.4
54.82749	0.4
54.83033	0.6
59.01390	98.1
68.82040	0.4
68.95004	0.4
70.99853	0.4
71.14738	0.6
83.00737	0.5
90.97110	1.0
92.10793	0.5
132.98225	3.7
156.99908	2.5
157.03526	1.2
159.01585	1.8
174.99252	43.8
189.04002	0.6
201.02576	15.8
217.00323	100.0
343.03680	2.4
359.01486	9.7
374.99252	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.1206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64774	1.0
52.27089	1.1
55.01922	1.1
57.03495	1.4
57.43179	1.0
59.01383	18.5
66.17644	1.1
70.80341	1.2
71.01385	15.4
72.99338	1.9
73.02940	1.5
77.53494	1.1
83.01400	2.4
85.02946	11.7
87.00877	13.1
89.02456	5.2
92.66244	1.3
96.96051	6.8
99.00901	2.5
99.29143	1.4
101.02458	5.3
109.02965	6.7
111.00909	7.1
113.02476	4.8
115.00387	27.1
119.03588	1.6
119.05040	1.8
121.02966	1.7
127.00433	1.8
129.01991	2.1
133.01471	1.7
134.03729	1.7
135.04536	100.0
137.06104	2.6
139.00380	1.6
144.00229	1.3
147.04594	5.7
149.06076	9.7
149.22951	1.1
157.01436	6.1
161.02469	5.2
161.06059	2.1
163.04001	1.6
164.07266	1.9
165.05646	1.9
174.03291	2.3
175.02498	32.6
175.04039	23.7
177.01888	2.4
177.05617	1.9
178.02747	4.9
179.03532	10.0
181.05063	2.3
189.05627	5.7
191.03525	4.7
193.05034	4.4
201.05589	1.5
203.03571	30.2
204.04315	2.4
205.01535	1.6
205.05107	2.9
206.02243	6.6
219.03038	3.0
220.03818	2.4
221.04591	36.9
233.04643	10.2
237.04088	2.9
247.06053	1.4
265.03583	15.0
275.05850	2.6
293.06720	11.2
337.05786	13.1
342.28177	1.4
355.06769	5.3
357.83969	1.2
499.10709	2.3
517.12109	24.5
541.52374	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48946	2.6
57.58038	2.9
59.01392	12.8
59.20322	2.3
61.98836	4.8
74.23296	3.0
92.10780	8.9
93.47327	2.6
99.63773	2.6
184.25613	3.2
209.11966	3.6
210.25148	3.0
232.93826	2.7
298.00211	3.6
315.25452	100.0
399.16769	3.0
403.73639	3.0
513.28442	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	513.3079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80147	1.5
52.93350	1.5
54.30727	1.6
59.01408	8.6
66.94389	1.6
71.01421	2.6
87.70323	1.9
89.02460	2.8
92.10168	4.3
113.31725	1.7
116.56847	1.7
128.07205	2.1
159.78340	1.7
227.07368	2.2
253.09271	6.9
277.21765	100.0
441.36542	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	513.3358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.58749	49.0
66.13738	51.6
66.37310	44.3
67.67014	46.3
81.56878	61.4
81.92657	57.1
92.10132	100.0
99.85528	50.1
158.87865	60.4
177.09221	76.0
244.96919	55.5
257.07648	65.9
263.85043	49.8
401.70120	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64806	0.6
54.10159	0.5
56.97670	0.6
57.22552	0.5
57.43675	0.6
60.24874	0.6
61.98839	1.5
66.30771	0.7
70.87082	0.7
75.12299	0.6
76.18382	0.6
88.06852	0.6
96.96028	3.8
118.70420	0.6
124.01685	3.4
133.44328	0.7
139.91391	0.7
153.00771	0.8
154.01483	100.0
162.13782	0.9
255.28873	0.7
316.06812	30.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	4.9
60.01722	0.6
61.01824	0.5
61.98837	100.0
81.03477	0.4
83.05044	0.7
84.05374	0.5
95.04489	0.3
120.48708	0.3
125.02435	0.6
161.04881	0.3
276.10846	0.3
281.04321	0.3
387.56430	0.4
390.57492	0.3
434.32196	0.4
435.32440	0.3
452.33118	1.4
453.33508	3.5
454.33752	5.4
455.34329	0.3
519.32220	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2559
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94362	0.7
55.01886	4.9
57.03451	4.1
59.01387	76.3
61.98839	0.8
69.03460	0.9
71.01385	39.8
71.01779	1.6
72.99325	2.1
73.02949	19.5
75.00863	1.1
81.03422	1.0
83.01389	14.3
84.18693	0.8
85.02954	24.0
87.00877	3.6
88.98814	0.9
89.02452	13.2
92.10738	1.5
95.01400	2.0
96.96011	10.7
97.02960	1.7
99.00864	7.7
101.02441	39.8
111.00892	4.3
113.02454	19.2
119.03489	3.9
121.02972	1.6
123.04495	1.0
124.01697	1.4
125.02458	5.0
126.90389	7.8
129.01952	1.0
131.03522	1.0
134.03737	2.2
143.03539	1.4
145.12456	1.4
148.05339	6.2
151.04103	1.3
159.03026	4.9
160.01773	1.4
161.02505	1.9
161.04576	10.2
162.03252	7.9
163.06146	1.1
166.12741	0.9
175.02562	1.2
175.03947	1.0
177.05592	9.6
204.04327	1.1
205.07005	1.1
207.06659	3.8
223.06236	1.3
247.06143	5.8
251.05679	17.0
255.03036	1.0
269.00922	5.5
271.06216	0.8
285.07819	1.4
289.07217	1.6
291.05072	6.8
297.00305	3.4
299.01843	1.4
307.08353	1.1
307.17694	35.9
348.23615	1.0
351.07153	2.1
453.23465	100.0
454.24112	1.0
455.35309	0.9
513.13019	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.2712
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	85.2
61.98855	1.2
62.53391	0.7
66.21032	0.8
71.01408	4.5
77.92130	0.7
85.02963	1.7
89.02453	1.3
97.06567	0.8
101.02447	1.2
113.02464	5.1
151.07661	1.6
161.41891	0.9
165.12854	21.5
165.60942	0.8
168.55801	0.8
191.14447	0.8
243.27966	0.8
247.20683	10.3
273.18686	4.9
276.83121	0.8
291.19690	100.0
292.20050	1.1
305.21356	1.7
333.20804	5.7
336.55139	0.8
358.08224	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	1.1
71.01373	0.4
75.86864	0.2
78.95902	6.8
79.95737	1.9
85.02962	0.4
89.02454	0.3
92.10085	0.4
96.96013	100.0
96.96916	10.0
101.02454	0.4
112.98866	0.2
113.02447	0.2
121.53809	0.2
269.00974	0.9
291.12439	1.0
297.00491	0.8
299.01968	0.2
381.17889	0.2
393.74020	0.2
453.17621	1.5
518.32343	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1562
Annotation	Phthalocyanine
Peak:m/z	Relative Intensity
59.01379	18.4
61.98835	12.9
71.01395	2.5
75.00883	5.2
88.98816	12.1
96.96006	48.6
96.96982	2.6
109.02983	19.7
135.04576	3.3
139.07622	2.4
159.04451	3.6
169.01419	3.4
181.82269	2.7
182.27338	2.4
199.04088	3.6
199.07669	3.5
201.05673	2.8
204.18298	2.3
209.06155	5.1
210.06981	2.4
211.07695	14.1
227.07094	17.5
238.06491	5.6
239.07065	2.5
254.05763	3.2
255.06648	100.0
256.07385	5.1
257.08221	32.4
269.08380	2.7
305.54074	2.6
403.12003	24.0
414.77011	2.7
449.09863	3.2
513.15594	66.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1735
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50145	1.5
55.01890	2.5
57.03452	4.0
59.01389	73.5
59.01689	2.4
71.01386	34.6
72.99319	2.3
73.02972	2.3
77.22917	1.4
80.05098	2.8
83.01390	3.2
84.02147	1.9
85.02955	15.5
85.06642	1.8
85.36487	1.5
87.00902	9.1
89.02447	28.3
92.10205	2.3
94.06608	2.0
95.01427	2.7
96.96010	3.7
101.02448	21.5
106.06593	1.8
108.04597	2.3
111.00932	1.6
113.02458	14.2
119.03497	9.1
121.05354	7.0
122.06129	27.8
123.04549	1.9
124.17218	1.8
125.02435	3.6
131.07120	3.7
134.71359	1.7
136.07687	2.6
138.05646	9.0
148.04013	3.2
149.04765	2.9
150.05656	7.1
159.06894	2.0
165.04321	9.1
166.05133	3.5
173.08479	1.8
174.12827	3.1
184.11374	5.5
188.07175	9.4
189.08160	2.0
202.12460	12.8
204.06711	7.7
204.10393	3.1
213.06752	1.8
216.06645	9.7
216.08766	2.7
217.07452	7.1
227.08372	1.9
228.10510	2.4
229.09845	7.7
231.09210	2.5
231.11435	31.3
243.11331	1.7
246.11293	11.6
253.09830	3.5
256.38364	1.9
270.10294	2.6
271.10916	35.9
305.03140	1.7
346.11462	2.8
390.10519	2.1
397.14127	6.4
426.17911	3.7
451.17261	31.8
453.17636	6.2
469.18423	7.3
495.16388	7.9
513.17401	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	513.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82837	1.4
55.01880	1.5
57.03450	2.3
59.01377	16.9
60.29309	1.1
61.98839	2.5
68.99849	1.5
69.79341	1.5
71.01385	12.8
73.02965	1.6
73.16641	1.2
79.57912	1.4
83.01390	2.9
85.02969	8.2
86.75036	1.6
87.00909	6.6
88.30005	1.6
89.02467	6.9
89.65419	1.4
95.01425	2.1
96.96021	5.8
101.02454	7.3
108.02129	1.6
109.02993	8.6
111.00875	1.8
113.02459	3.3
115.00391	6.5
116.92907	2.5
121.03005	1.4
123.04539	3.5
124.01637	2.3
125.02441	14.2
126.90376	1.6
131.04970	2.3
134.03734	15.9
135.04526	6.6
137.02435	3.1
148.05325	39.7
151.03961	2.8
159.04514	2.5
160.01678	3.7
160.05161	2.0
161.02438	13.3
162.03215	30.0
163.03998	6.3
163.07690	2.1
164.04797	10.1
172.05296	1.8
175.02486	6.8
175.03976	11.8
176.04713	2.3
176.11627	1.6
176.93503	1.3
177.01863	3.7
177.05568	50.4
181.09898	2.5
187.03972	2.8
188.04810	8.9
189.01973	1.9
189.05653	1.9
191.07101	6.9
194.02219	7.4
195.06639	8.4
201.05583	2.3
203.03601	6.5
204.04228	6.0
205.05052	1.9
207.06682	20.6
212.04901	2.1
214.02563	1.7
214.06334	2.2
216.04169	2.4
217.05031	1.6
217.37480	1.5
219.06660	5.6
223.06126	7.6
227.07144	2.0
229.05052	2.9
230.05807	2.4
231.06641	1.9
232.03740	7.6
243.06604	3.1
245.08182	3.2
247.06117	26.3
249.07712	6.8
251.05644	100.0
255.03123	2.0
256.03824	1.6
263.09222	2.0
271.06000	5.9
285.07703	8.0
289.07233	12.7
291.05170	28.3
297.00671	2.1
303.08691	2.9
307.08231	7.7
329.73605	1.5
349.09195	3.2
351.07315	11.9
453.26926	6.6
469.13150	2.4
490.03650	1.5
504.79300	1.8
513.12439	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	512.1049
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98833	100.0
65.00325	6.8
68.05399	0.6
79.47131	0.5
83.01408	2.9
104.92548	0.6
107.01401	11.5
123.04536	3.4
124.01637	0.8
125.02459	10.6
133.02995	2.1
133.33340	0.6
150.03236	9.1
151.00383	44.2
151.03999	11.8
152.01167	9.3
169.01430	0.8
175.04005	1.4
177.01859	1.5
178.99889	7.3
180.00624	0.7
185.05922	0.9
199.03958	1.4
217.04991	0.9
241.05237	0.7
257.04483	0.8
259.06396	0.7
285.04099	26.0
302.04321	0.8
303.02652	0.7
303.05222	9.8
322.89520	0.6
328.94870	0.6
449.11014	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	512.1053
Annotation	Unknow
Peak:m/z	Relative Intensity
57.08140	0.5
58.63655	0.5
59.01382	1.4
61.98836	100.0
65.00332	6.8
71.01382	0.5
83.01412	2.8
92.56060	0.5
107.01400	13.8
109.02960	1.1
123.23276	0.7
125.02409	5.3
135.04530	62.7
141.56085	0.6
151.00386	92.8
161.02457	0.9
169.01456	0.9
266.21359	0.8
287.05655	49.6
449.10950	44.1
500.92581	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.7
57.03460	4.1
59.01396	5.2
61.44959	0.7
69.03462	5.9
71.01379	10.5
73.02943	16.8
74.74950	0.6
81.03482	0.8
83.01404	1.4
85.02950	35.4
85.03458	1.3
87.00874	100.0
92.10205	1.0
95.01384	4.7
97.02944	26.4
98.74134	0.7
103.04026	9.4
111.00899	0.8
113.02467	8.0
115.00381	9.4
115.04003	1.4
125.02449	1.2
129.01877	1.4
142.99817	1.4
143.91568	0.8
150.95294	0.8
157.01430	5.9
158.22072	0.8
164.89664	0.8
165.10432	0.9
174.05321	0.7
175.02481	48.5
217.03564	16.5
288.66852	0.9
303.07272	25.6
321.08289	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	511.2918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.9
55.78517	1.0
59.01390	2.4
61.98859	1.3
66.19360	1.1
66.76746	0.9
81.03475	2.0
83.05041	6.8
163.11311	5.0
165.12831	2.1
171.10281	11.7
191.10786	1.8
209.11858	100.0
227.12845	6.4
247.13306	4.1
253.08717	1.8
265.69022	1.2
277.19553	1.1
386.18250	1.2
493.29141	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57666	0.3
51.33966	0.2
55.41609	0.3
59.01386	57.4
63.89959	0.3
81.03465	5.4
83.05030	17.0
102.56332	0.3
107.06134	0.5
108.04553	0.5
124.01620	1.5
125.02420	2.1
125.07200	2.3
143.08266	0.7
143.11169	0.4
149.99567	2.0
168.00655	2.5
189.10315	0.3
207.15036	2.9
224.17700	3.8
225.16118	11.7
242.18773	0.8
260.85593	0.4
309.21829	0.6
324.26630	1.8
333.22824	2.9
351.23898	1.6
367.27197	1.7
433.31937	7.2
451.32983	100.0
452.33124	0.6
501.72687	0.4
511.11191	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.196
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
60.33861	8.8
61.98840	81.0
64.34746	9.8
71.01409	13.2
85.02971	10.8
96.96040	21.5
100.23935	10.2
101.02462	13.9
151.04047	11.3
167.10756	17.8
273.65070	10.7
334.61252	11.4
511.19388	43.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.2765
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60178	0.8
55.01887	6.9
55.79961	0.9
57.03458	4.5
57.64905	0.9
58.00602	1.2
58.08262	1.3
58.16108	0.9
59.01386	78.2
61.98848	2.4
71.01385	38.9
72.99310	1.1
73.02950	20.3
83.01392	17.6
85.02959	23.9
87.00894	2.2
89.02444	4.6
95.01368	4.0
97.02978	1.3
99.00857	6.9
101.02446	51.0
101.03094	2.1
101.72609	0.9
106.81814	0.9
106.87794	1.0
113.02450	19.8
125.02429	2.0
139.69435	0.9
155.09589	1.2
159.02980	1.8
161.04591	10.8
165.05580	2.4
187.06567	0.9
209.11801	1.8
305.19778	64.5
342.05090	1.0
451.25604	100.0
489.81058	1.4
511.14529	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	510.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83010	2.6
55.01894	12.6
55.20570	2.5
57.03468	4.8
59.01382	83.6
61.98841	9.7
69.03464	3.1
71.01380	98.4
72.99308	5.3
73.02938	39.8
81.03488	2.9
83.01393	26.2
85.02950	48.5
87.00864	3.6
87.03992	2.3
89.02415	20.2
89.59701	2.3
95.01431	3.4
96.96023	11.0
97.02943	4.3
99.00902	11.2
101.02441	68.9
103.04012	5.7
113.02463	35.1
119.03531	3.3
121.03012	2.5
125.02426	22.4
130.30638	2.6
140.22200	2.5
143.03514	5.1
159.03012	3.7
161.04559	41.9
161.05879	3.5
163.06181	3.5
247.08197	5.3
288.09756	2.9
299.19519	2.4
304.06012	40.0
450.11749	100.0
485.89102	2.7
510.17401	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	511.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49081	0.9
55.97795	1.2
57.03458	2.0
58.83044	1.0
59.01391	12.8
61.98838	6.1
63.02403	2.0
65.00327	12.5
71.01387	6.9
73.02946	1.1
74.15506	1.1
76.58374	1.1
83.01397	6.4
85.02942	2.1
89.02470	1.2
93.03455	5.3
96.96011	2.1
101.02478	1.5
105.03463	1.4
107.01405	17.0
109.03004	1.5
119.05031	7.2
125.02460	8.0
149.02440	5.1
151.00406	27.4
165.01938	2.5
180.74477	1.1
183.04578	2.4
188.54039	1.3
193.01474	14.6
196.05339	1.3
199.04008	1.9
208.41089	1.2
209.06070	1.4
211.03938	2.0
225.05591	8.3
227.07089	1.4
239.03561	2.9
248.73442	1.3
251.03572	1.4
253.05043	1.6
255.03003	10.7
256.03723	1.6
257.04343	1.4
265.05042	2.0
283.02509	7.9
284.03210	6.9
315.10431	6.4
317.08252	2.9
325.78278	1.4
331.09772	1.2
357.07837	3.0
359.09348	18.1
391.04803	5.7
451.28696	2.6
506.31583	1.2
511.10425	100.0
512.10345	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	510.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	1.3
57.03457	1.0
59.01395	26.1
60.01741	0.8
61.98851	8.5
65.52031	0.5
68.59901	0.4
71.01393	10.2
73.02959	3.4
75.11367	0.4
83.01411	3.7
85.02973	6.9
86.03300	0.5
89.02464	2.5
95.01420	0.7
99.00883	1.8
101.02453	9.4
102.02802	0.7
104.78749	0.5
107.01434	1.2
113.02473	4.5
125.02431	1.1
133.02962	6.9
135.02930	0.6
146.21295	0.5
149.02441	1.2
151.00383	5.0
153.76656	0.5
161.04593	1.9
168.34055	0.7
175.04025	3.4
190.00043	0.6
199.04063	2.4
201.02002	0.8
217.05173	1.2
241.05045	0.9
243.03033	1.9
245.24451	0.7
248.93242	0.6
256.03763	2.9
271.02527	2.5
284.03378	3.5
285.04099	100.0
286.04318	0.6
287.22342	0.9
288.23120	0.8
300.02737	3.7
314.04227	1.1
334.39157	0.5
362.58005	0.5
363.51917	0.6
437.69571	0.5
440.93146	0.6
447.09448	35.5
449.27695	21.1
450.28018	13.2
539.55585	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.0897
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59509	0.7
59.01402	4.1
61.98844	100.0
68.28814	0.6
71.25508	0.6
87.77683	0.9
101.02431	0.9
125.02461	1.0
126.02823	0.8
135.00920	0.8
151.00360	1.7
227.03535	55.8
229.04938	1.1
255.00945	1.0
255.03009	66.1
256.03659	5.8
284.03296	70.4
285.04034	16.1
370.19971	0.8
447.09412	84.8
448.10046	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	510.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98837	19.8
65.00343	1.4
71.32150	0.8
77.72110	0.6
81.98341	0.8
90.93780	0.8
92.10079	1.6
107.01407	3.5
108.02187	1.3
109.02961	1.9
121.02978	3.6
122.62276	0.7
138.03285	0.8
142.57698	0.8
148.01807	0.8
151.00386	21.4
163.00345	5.7
164.01173	1.1
178.99922	7.8
199.04094	1.2
211.04082	1.7
215.03571	1.0
226.02615	1.0
227.03571	3.3
229.02979	0.8
229.05177	1.9
243.03018	11.7
245.04575	1.4
254.02269	1.3
255.03027	33.3
269.86880	0.8
271.02542	64.5
272.03204	1.7
279.43787	0.9
299.01987	1.4
300.02805	96.6
301.00073	1.5
301.03577	62.2
447.09442	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1704
Annotation	Marikarin
Peak:m/z	Relative Intensity
51.52996	0.9
57.03456	2.0
59.01389	24.9
61.42397	1.1
61.98844	1.1
71.01393	5.9
73.02947	2.1
75.00871	2.8
78.27666	1.1
79.95755	2.4
83.01390	1.2
83.05050	1.1
85.02973	2.4
87.00883	1.9
89.02450	2.1
92.67301	1.0
95.05033	2.8
96.96010	100.0
101.02455	5.9
101.98726	1.1
103.00378	19.8
103.04070	1.1
103.42329	1.1
109.02992	1.8
111.04530	2.5
113.02475	1.4
113.06095	4.7
121.65989	1.1
123.04531	2.1
125.02476	4.7
127.70046	1.2
134.67134	1.2
137.09726	2.0
139.07654	4.2
148.36787	1.3
151.04039	1.9
153.09203	2.0
155.10799	35.1
163.02501	6.5
167.03517	6.8
177.01926	15.0
178.02373	1.6
179.03648	1.4
203.14410	1.6
205.15987	15.4
223.17012	5.0
267.16025	23.1
294.75998	1.3
329.10501	1.7
347.11749	97.4
432.04517	1.4
449.23972	1.8
509.17126	55.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2609
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23959	1.3
59.01388	100.0
64.34902	2.0
69.03458	1.8
71.01395	31.5
72.99328	3.5
73.02956	23.4
73.18327	1.6
83.01385	2.4
85.02499	1.5
85.02955	13.3
87.00896	12.4
87.04514	2.3
88.98809	15.3
89.02448	21.4
96.96033	8.3
96.96940	2.0
101.02444	31.8
103.04049	13.0
113.02484	7.7
115.04016	3.1
119.03487	6.4
123.00929	3.1
131.03508	8.2
137.02490	2.4
143.03464	13.1
145.03014	2.3
145.05116	4.0
149.00903	3.4
163.06142	38.4
205.07150	15.3
209.11853	2.9
249.07770	2.5
265.09311	2.6
271.02637	3.2
272.79623	2.0
299.01956	2.2
300.02896	9.9
371.09424	2.3
394.33176	1.7
449.24057	14.7
508.35669	3.6
509.12094	2.8
509.36255	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	509.2892
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
54.30654	0.4
55.26820	0.4
63.15905	0.4
64.77837	0.4
78.95914	19.4
91.29977	0.6
96.96991	1.1
152.99614	29.7
171.00693	1.0
227.03297	3.2
251.07899	0.6
281.24911	100.0
282.25339	1.0
417.24402	0.6
509.28906	46.0
510.29291	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	2.8
56.87782	1.2
57.03449	5.4
59.01385	76.3
60.91370	1.1
61.98830	1.7
62.24813	1.2
71.01385	30.6
73.02942	13.6
82.54038	1.3
83.01402	7.8
85.02958	22.5
88.73457	1.3
89.02434	9.0
95.01377	2.4
99.00863	3.2
101.02438	30.6
113.02455	14.3
115.07672	2.3
119.03520	2.7
125.02425	7.4
141.09227	9.1
151.00378	1.6
152.75415	1.5
161.04553	8.0
209.92784	1.5
216.40956	1.4
253.54358	1.7
285.04178	14.3
287.22433	2.5
301.03445	2.4
314.04318	1.9
347.24521	1.5
371.74936	1.7
447.09216	6.8
449.27649	100.0
509.29663	1.9
529.20288	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58349	2.0
55.55327	2.1
57.03464	2.5
59.01392	49.3
71.01388	18.2
72.99300	2.1
73.02970	2.4
77.22394	2.0
83.01404	3.8
85.02975	5.9
89.02474	9.2
96.96000	15.0
101.02443	5.3
108.02166	2.3
109.02961	11.6
113.02473	4.0
121.03044	3.2
123.04584	2.4
124.01644	4.3
125.02459	21.9
132.02151	2.6
135.04533	5.0
137.02438	10.5
141.01744	8.5
145.06500	2.5
149.02454	3.8
159.06616	10.4
161.02483	47.4
165.01900	2.5
173.06085	2.7
175.03993	3.6
177.01952	10.7
177.05557	4.2
186.06847	4.2
199.04085	3.2
201.05571	4.3
205.01459	50.6
206.02209	3.2
214.06505	3.1
221.04613	3.4
224.04848	5.6
225.05539	3.3
226.06493	2.7
227.03590	5.7
241.05038	4.1
252.04335	5.3
253.05037	9.7
255.03055	3.4
259.06192	14.5
261.09741	5.0
267.06622	4.2
269.04501	5.7
270.05350	23.8
285.07721	10.2
287.05609	15.7
311.07770	3.4
314.04245	2.9
329.06738	29.6
340.36060	2.7
423.15112	3.2
449.10873	4.6
473.13342	4.3
509.13013	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1251
Annotation	Biflavanone C
Peak:m/z	Relative Intensity
54.70042	6.6
55.71276	5.1
56.21961	5.9
59.01387	54.8
61.98848	12.5
71.01405	12.1
75.09089	5.9
85.02948	11.1
93.03483	14.0
94.41447	6.5
101.02466	7.6
114.39608	7.0
117.68810	8.0
117.96447	6.3
185.82652	6.8
215.03633	11.5
221.06142	12.4
228.04027	6.3
230.05904	34.7
245.08180	42.1
257.04599	8.9
285.03918	22.8
287.09360	36.2
300.02768	7.8
305.04694	36.1
317.08118	7.6
322.58365	8.3
387.99438	6.5
389.06839	7.1
409.14618	9.2
437.14175	11.7
481.13074	33.2
509.12482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	1.8
59.01386	65.7
60.48558	1.8
71.01395	12.8
72.99310	2.6
81.44508	1.7
83.01411	3.3
85.02983	10.6
87.00885	2.1
89.02475	3.8
96.95995	16.5
101.02438	14.0
105.03471	2.1
109.02972	7.6
111.00894	3.1
113.02450	2.5
116.92829	4.1
123.04510	3.3
125.02439	12.9
133.02930	4.4
135.04533	8.4
137.02455	7.6
141.01729	12.9
145.03012	2.4
149.02438	2.6
149.06068	1.9
151.04056	3.3
159.04492	2.3
159.06604	11.0
161.02446	46.8
162.03215	2.4
164.53712	2.0
175.04010	4.1
177.01894	7.6
177.05576	10.2
179.03510	1.9
185.06079	2.1
186.06850	7.7
189.05524	2.4
199.03975	3.8
205.01450	52.0
206.02223	12.3
213.05540	1.9
214.06393	2.9
221.04541	7.2
224.04860	3.5
226.06396	2.1
227.03499	8.8
241.05269	2.5
242.05800	2.9
250.53026	2.0
252.04350	10.1
253.05191	3.0
255.02956	2.5
259.06131	7.2
261.09705	4.4
267.06714	2.1
269.04468	7.4
270.05447	25.7
285.07687	12.4
287.05600	12.2
303.37482	2.1
329.06693	30.1
363.24054	2.0
394.98837	2.1
423.14978	2.7
509.13049	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.2818
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60369	1.3
57.03454	3.0
59.01385	100.0
60.99321	1.4
65.00323	1.6
71.01362	13.1
73.02956	6.4
83.01407	7.9
85.02970	6.4
87.00901	1.8
88.98801	13.1
89.02442	5.9
96.08228	1.3
96.96025	7.1
99.00857	2.4
101.02452	11.4
107.01424	3.6
113.02478	6.4
121.02951	9.0
122.16022	1.5
125.02454	10.5
137.02478	2.0
151.00398	28.9
161.04614	3.1
169.01453	2.4
178.99896	13.4
211.13393	3.1
267.10193	2.1
285.11362	2.4
301.03589	45.5
301.06772	2.6
447.09375	15.1
447.26477	36.4
473.10294	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	8.9
57.03460	4.2
59.01388	53.4
61.98844	3.9
71.01385	37.1
72.99327	3.4
73.02969	11.8
83.01399	11.4
83.05055	2.6
85.02952	22.1
87.00892	11.6
89.02463	5.2
95.01376	3.5
99.00909	4.6
101.02454	33.5
104.17683	2.2
111.00963	2.6
113.02467	13.1
119.03526	3.5
129.01974	2.6
132.16861	1.8
140.47157	2.1
149.00948	3.5
161.04552	2.8
179.02312	8.2
194.04623	5.0
201.05641	11.5
202.06462	4.2
209.11798	2.4
211.13403	2.6
215.07208	2.2
229.08685	8.1
230.09509	12.8
241.20479	2.7
327.16183	3.0
345.30368	4.2
347.01733	2.3
369.04669	3.0
392.56534	2.3
410.15887	11.1
412.42651	2.1
507.35556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.3542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92823	2.9
55.01890	4.8
57.03462	4.4
59.01387	57.0
61.98851	7.5
71.01391	47.3
72.99327	4.1
73.02964	18.9
83.01431	7.4
83.52960	3.6
85.02934	28.0
87.00883	7.1
89.02396	4.0
93.05627	3.4
99.00896	4.5
101.02460	29.7
101.56658	3.3
113.02459	16.9
119.99851	3.4
147.98380	3.9
179.02278	5.6
222.64207	3.7
283.13416	4.5
345.29819	4.3
404.37421	3.8
507.35461	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.1
67.28131	0.9
68.41084	0.9
69.03459	1.8
71.01375	1.1
87.00878	1.8
89.34404	0.9
96.96000	6.5
97.02945	3.9
101.02425	0.9
109.02957	45.3
113.93713	0.9
130.04230	1.1
135.04526	100.0
137.02501	1.2
143.05043	8.8
146.03711	1.8
147.04521	1.4
148.05307	4.8
149.06093	58.8
151.03969	2.1
161.02469	8.1
161.06081	27.3
162.03261	1.6
163.03943	1.3
163.07620	5.4
165.05536	5.1
171.04524	8.4
172.05278	1.0
173.06090	1.4
174.03249	9.6
175.04001	2.4
177.05588	10.6
179.03473	10.2
188.04787	1.1
189.05583	80.8
191.03516	4.8
191.07054	3.8
193.05040	1.1
203.07036	1.5
207.06644	69.8
219.06491	1.6
221.04564	15.3
231.06621	5.8
235.06041	7.3
239.05632	3.7
249.07678	5.4
251.05582	2.3
285.42413	1.1
297.09793	4.7
311.07733	8.5
311.11066	2.0
317.12573	1.2
332.95572	1.1
369.11960	5.5
383.09933	4.4
401.10989	8.2
411.13022	1.2
413.10941	38.9
415.12454	2.3
443.12067	5.1
455.11935	1.8
473.13089	31.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.209
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	0.4
59.01390	100.0
71.01392	3.7
73.02961	2.0
75.47033	0.3
83.01420	0.5
85.02975	1.8
88.98818	0.8
89.02458	0.8
92.10736	0.7
95.01362	0.4
97.02960	0.3
99.00908	0.3
101.02460	2.4
102.80886	0.3
113.02460	1.7
116.92858	1.4
119.03459	0.6
125.02483	0.7
127.62379	0.3
137.02484	0.9
145.02980	0.5
148.79999	0.4
151.03996	1.8
153.05589	1.5
161.04599	3.7
178.97925	0.3
181.05089	46.0
196.07445	48.3
197.08330	0.3
211.09805	66.0
235.08272	2.7
257.38116	0.4
285.17050	0.5
348.90417	0.4
417.05444	0.4
447.18457	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	507.2452
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31872	0.4
55.01885	3.3
57.03438	1.8
58.00574	0.5
59.01384	34.8
68.72964	0.5
69.03460	0.8
71.01380	33.2
72.94012	0.4
72.99319	0.7
73.02944	14.9
75.00866	0.7
75.27645	0.5
75.62923	0.4
79.46264	0.4
83.01395	9.0
83.42950	0.5
85.02950	15.2
85.52200	0.5
86.00079	0.6
87.00892	2.9
88.98820	2.5
89.02439	15.0
90.81166	0.5
95.01381	1.2
97.02967	2.6
99.00877	5.4
101.02437	35.6
113.02452	13.3
115.03994	0.8
119.03516	3.5
125.02440	3.0
131.03500	0.9
131.05037	0.6
135.00862	0.7
143.03505	2.1
149.00903	0.9
153.01938	0.5
156.95781	0.5
159.03015	3.7
161.04578	15.8
163.06009	0.5
173.05969	0.7
177.06686	0.4
179.05576	3.2
211.13371	2.0
219.03578	0.5
237.84654	0.5
285.20795	0.7
315.18170	27.5
359.17188	0.7
447.22403	100.0
448.22684	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1821
Annotation	5,7-Dihydroxy-6-methylflavan-(2beta->7,4beta->8)-7-hydroxy-5-methoxyflavan
Peak:m/z	Relative Intensity
52.03522	1.0
59.01394	2.3
68.19742	1.3
85.17694	1.1
89.03989	2.8
92.10828	1.8
93.03486	10.7
95.64938	1.3
96.87826	1.4
106.04283	1.7
108.02196	5.4
109.02969	6.5
119.05032	30.4
121.02985	4.6
123.04557	7.0
128.68991	1.2
132.02150	2.9
133.02972	22.8
145.02960	1.7
207.08168	1.8
209.06128	2.7
210.06955	9.1
211.07635	1.6
235.07495	2.4
237.05624	10.0
238.06361	15.9
239.07173	9.9
249.05597	2.4
251.07239	8.6
252.07936	1.6
253.08736	37.8
263.07111	2.2
265.05115	7.9
266.05917	2.6
267.06750	4.9
275.07269	1.7
277.08752	25.1
279.06671	5.6
281.08224	17.2
313.07065	1.9
371.09451	2.4
383.13171	2.5
385.11014	5.1
387.12695	12.9
475.22949	1.4
507.18268	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.188
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03471	0.7
58.00608	1.3
59.01387	100.0
63.48950	0.8
63.52943	0.6
66.96768	0.5
71.01383	39.7
71.01771	1.4
72.99316	3.1
83.01415	1.6
85.02962	7.2
85.56363	0.7
87.00877	0.8
89.02446	47.2
93.03472	1.6
95.01388	2.7
101.02450	19.8
104.55442	0.7
106.50574	0.6
113.02457	13.5
119.03519	15.9
119.05008	5.8
121.02939	1.3
122.03755	1.6
131.03487	1.3
131.05072	1.5
133.02968	1.3
135.04517	3.4
143.03511	2.6
149.04459	0.8
149.06238	0.7
161.04575	3.8
171.77045	0.7
179.05653	9.9
224.89847	0.8
225.42787	0.8
237.05655	2.9
251.07166	3.2
252.07942	24.7
257.11810	4.4
258.37753	0.7
267.07489	1.2
267.10297	28.2
285.11371	17.8
330.96802	0.8
420.68390	0.7
447.16660	2.7
447.22110	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67396	0.9
52.73418	0.8
59.01152	0.9
59.01395	8.5
71.01403	2.0
78.95911	1.1
86.48029	1.1
89.02441	1.5
93.15927	1.0
96.96014	23.6
96.96969	1.0
111.87910	0.9
113.02486	1.4
116.92850	1.7
119.03561	1.7
122.03721	1.1
123.04520	1.1
125.02411	1.3
137.06049	1.2
146.50786	1.1
148.01669	5.2
149.02432	0.9
153.05574	9.5
163.04063	8.7
166.02734	58.0
177.01953	1.3
178.02730	1.6
181.05089	100.0
193.05042	2.1
211.06166	12.9
299.11377	4.3
372.98453	1.0
389.12021	1.1
419.44186	1.1
471.11703	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	506.1883
Annotation	Unknow
Peak:m/z	Relative Intensity
58.93493	0.2
59.01383	2.1
60.08055	0.3
61.98836	100.0
63.96389	0.2
65.09298	0.2
76.58124	0.3
80.65205	0.2
81.85581	0.3
89.02414	0.4
96.95996	0.6
99.86817	0.3
116.92836	0.4
121.64868	0.3
137.17706	0.3
282.14133	0.6
283.14545	1.2
284.14670	0.7
292.03696	0.3
433.64029	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31656	1.1
55.99209	0.9
61.98838	100.0
100.82916	1.2
115.91151	1.1
121.68043	1.0
157.73094	1.1
174.04729	1.2
437.24274	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	507.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
57.00581	0.4
59.01385	4.2
71.01392	0.8
73.02926	0.6
73.18261	0.6
89.02474	0.7
96.96024	3.7
98.58178	0.6
100.68652	0.5
121.02956	100.0
122.03313	0.6
133.02954	0.8
134.15204	0.5
135.04535	0.7
161.02472	3.9
165.01942	76.6
184.06958	0.6
191.03502	0.8
199.53856	0.6
219.41864	0.6
246.30461	0.6
341.09158	0.6
525.05670	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
55.11489	0.2
59.01389	1.1
61.98844	0.3
62.01526	0.2
70.48235	0.2
71.01384	0.3
75.41589	0.2
85.02994	0.3
91.39864	0.2
116.92903	0.4
122.03750	11.1
136.84378	0.2
145.17868	0.2
152.03558	100.0
153.03928	0.2
158.68190	0.2
161.31337	0.2
176.49538	0.2
490.87985	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74416	0.1
57.80935	0.1
59.01397	0.4
89.06345	0.2
122.03729	9.1
126.60316	0.1
142.91002	0.1
152.03539	100.0
153.03818	0.3
241.86728	0.2
378.78473	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1521
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	1.0
61.98819	0.2
68.46779	0.1
71.01398	0.2
74.36816	0.1
74.65648	0.1
77.48933	0.1
77.65836	0.1
85.20071	0.1
92.66370	0.1
96.96046	0.2
108.02182	11.1
116.92886	0.3
121.02983	0.1
138.01979	100.0
139.02318	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3025
Annotation	Ile-Leu-Val-Tyr
Peak:m/z	Relative Intensity
52.65078	0.5
53.39642	0.6
57.03467	3.8
59.01387	16.3
61.98840	1.7
71.01387	13.6
72.99316	5.4
75.00878	14.8
76.49625	0.6
85.02959	15.4
87.00880	6.6
89.02460	3.4
95.01388	4.8
99.00890	7.7
103.00366	1.1
110.84742	0.7
113.02467	17.7
115.00388	1.7
117.01939	1.7
120.40928	0.8
162.78763	0.8
175.02490	1.3
220.57292	0.9
231.05014	1.1
249.06175	12.3
253.72382	0.9
255.23314	100.0
261.10883	0.8
267.07236	0.9
445.28430	1.2
487.29510	1.3
505.30280	83.8
506.30457	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3182
Annotation	Iriomoteolide 1a
Peak:m/z	Relative Intensity
57.03470	11.6
57.60608	2.2
59.01399	9.4
69.03480	2.8
76.58196	2.3
96.50704	2.4
107.05095	3.1
109.06599	83.5
153.86612	2.4
233.46057	2.7
242.85304	2.6
267.36398	3.2
311.23819	3.1
313.25317	5.9
324.17081	2.7
327.27109	2.7
341.28491	9.9
357.28067	3.1
373.97662	2.4
389.30734	11.2
399.50696	2.3
403.40765	3.0
443.31766	10.3
461.32925	43.8
505.31738	100.0
505.38596	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	505.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32616	1.3
55.01886	9.3
57.03453	3.9
58.00609	2.5
59.01385	100.0
69.03472	7.2
71.01383	71.4
72.99319	2.1
73.02944	34.8
74.41132	1.5
76.63660	1.5
83.01395	19.8
83.05045	1.7
85.02950	35.0
87.00890	6.3
89.02438	18.3
92.10767	1.6
92.65933	1.5
93.54164	1.7
95.01418	1.9
96.95985	5.3
97.02959	6.2
98.95592	3.5
99.00876	8.5
101.02445	59.5
103.04012	11.7
109.02960	2.3
113.02444	16.2
116.92853	7.5
119.03525	6.5
119.05014	3.5
125.02435	26.1
127.04075	1.9
135.04507	2.2
143.03506	2.7
145.05063	2.0
161.04607	15.7
163.06142	17.8
174.05675	2.1
179.03511	1.8
212.07132	2.7
229.07176	2.1
247.08376	10.8
255.11371	6.9
278.32852	1.6
285.11508	2.6
299.11417	23.4
307.10358	10.3
362.50659	1.9
373.09583	2.0
417.16763	2.2
445.17197	74.4
446.17804	1.6
505.14771	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	505.2301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	2.0
56.54164	0.9
57.03468	2.1
58.00580	1.4
59.01383	23.9
61.98850	1.1
64.35085	1.1
65.48313	0.9
71.01379	31.4
72.99327	1.1
73.02946	16.8
75.00883	1.5
83.01408	7.5
85.02958	15.8
87.00882	2.3
89.02419	7.7
95.01374	1.7
96.96018	2.8
99.00907	6.2
101.02437	32.5
107.96772	1.1
113.02448	15.6
123.04516	1.6
125.02468	1.9
131.03445	1.3
139.04027	1.3
143.03581	1.6
151.00368	1.2
159.03006	2.2
161.04556	14.0
165.05559	1.4
175.00346	1.7
175.03989	1.1
190.02737	2.2
205.05223	1.9
233.06889	1.6
313.16656	20.1
326.74304	1.2
363.31985	1.1
445.20889	100.0
505.26456	1.5
527.05951	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	41.7
61.85771	1.3
78.95914	11.8
92.66037	1.9
142.02811	1.5
152.99605	19.1
171.00749	2.6
247.67856	2.0
277.21783	100.0
284.71426	1.9
389.85373	1.8
505.25943	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	505.2583
Annotation	Amoritin
Peak:m/z	Relative Intensity
52.35137	1.7
53.04701	2.0
59.01390	10.6
60.91069	1.8
61.98844	3.1
68.04044	1.8
78.95904	34.7
82.75340	2.1
110.27065	2.0
152.99594	51.6
227.03339	3.5
236.14005	2.5
277.21765	100.0
306.74152	2.2
323.02109	2.3
395.86700	2.3
505.25775	58.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1417
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	2.2
59.01396	4.8
61.79357	0.5
62.44317	0.5
70.07275	0.5
71.01389	4.4
72.99311	0.7
73.02951	13.4
75.00954	0.5
78.80303	0.5
81.66231	0.5
83.01405	3.4
85.02967	0.5
87.00896	2.3
89.02448	0.5
92.10086	0.5
95.49958	0.5
101.02447	17.2
103.00377	23.7
108.22244	0.5
115.00381	6.8
117.01920	1.2
119.03499	6.4
127.00397	4.4
129.01924	0.6
133.01419	5.5
145.01431	14.9
149.04526	2.1
152.67296	0.5
163.02495	100.0
163.06111	4.9
248.14282	0.7
256.22900	0.6
324.38702	0.6
363.68527	0.7
375.36096	0.7
514.84967	0.6
518.91632	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1571
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	1.5
60.99316	17.7
61.98844	0.5
67.91933	0.3
71.01374	0.3
73.84524	0.3
88.98804	100.0
89.02444	3.7
93.14864	0.4
116.92822	1.4
136.59084	0.4
204.64792	0.4
214.08261	0.4
236.04494	0.4
238.14888	0.4
367.82001	0.4
437.02545	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63196	1.0
57.03456	1.1
58.00612	1.7
59.01384	100.0
60.99316	1.5
61.98854	1.2
62.63140	1.3
71.01379	44.1
72.99306	1.6
75.87986	1.2
78.83112	1.1
81.61102	1.3
83.01407	1.9
85.02944	11.7
88.98832	6.6
89.02442	49.0
95.01382	2.1
101.02453	19.9
104.03843	1.2
108.02220	2.1
113.02452	15.8
119.03494	14.8
125.02457	1.7
134.03752	2.1
136.01610	1.8
143.03584	2.3
151.04062	11.4
161.04546	2.8
165.05569	2.5
170.56239	1.4
179.05643	5.5
193.06595	6.4
194.07358	1.2
209.11925	9.9
219.06544	1.5
221.06084	14.2
222.06845	19.3
249.05510	8.6
250.06364	38.3
265.08731	99.2
283.09717	3.0
325.10797	1.4
445.15015	5.9
505.26584	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	503.3389
Annotation	6beta-Hydroxyarjunic acid
Peak:m/z	Relative Intensity
59.01383	2.3
68.17332	1.1
73.90489	1.4
83.05048	5.7
89.10896	1.4
91.33245	1.3
103.71817	1.5
121.02908	1.4
274.65582	1.5
303.29688	1.5
331.17624	1.7
377.28568	2.2
382.45932	1.4
389.28540	2.7
425.30667	10.3
441.33780	29.9
459.35040	10.2
485.32681	3.1
503.33923	100.0
504.34344	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15132	1.4
55.53815	1.4
57.03455	2.0
59.01394	5.5
59.24602	1.1
61.98837	12.4
64.34634	1.2
65.49909	1.2
69.03442	1.2
71.05377	1.3
71.31925	1.2
73.30201	1.1
81.03474	2.5
87.00884	1.9
92.10201	1.5
92.84600	1.5
97.02953	5.2
107.01405	1.9
109.02977	9.9
121.03034	1.5
123.00881	1.5
123.04537	5.5
125.02448	89.8
131.25967	1.1
137.02419	9.6
147.22748	1.2
149.02400	3.1
151.03986	6.9
159.04526	1.4
161.06059	1.8
165.01865	1.6
168.00526	1.4
169.01439	100.0
179.03471	2.7
181.96754	1.2
187.04074	1.5
188.67511	1.3
193.01514	2.7
201.05490	1.5
203.07162	8.4
205.05124	2.6
211.04103	1.3
221.08321	1.5
245.08229	9.1
253.05304	1.6
271.06207	7.4
289.07230	36.2
330.96088	1.5
331.04733	2.0
423.99799	1.5
441.08365	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	505.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97629	1.0
58.17046	1.1
59.01384	12.9
70.94756	1.1
78.95940	2.3
115.11108	1.2
120.55926	1.2
121.02958	100.0
122.55067	1.1
125.89858	1.2
152.99608	2.5
164.64192	1.1
181.06639	2.7
197.06114	2.5
212.96625	1.2
225.05681	1.8
237.10292	1.2
238.89209	1.5
277.21756	19.8
287.21490	1.2
313.07300	2.4
314.04819	1.3
327.85983	1.3
417.09845	7.4
505.11920	8.4
505.25812	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	4.0
60.99313	19.1
66.62232	0.4
71.01379	0.8
71.43967	0.4
85.02983	0.5
87.00893	0.6
88.98804	100.0
89.02444	2.7
100.45380	0.4
101.02451	0.5
109.65604	0.4
125.02444	0.5
152.69421	0.4
164.09785	0.4
166.46603	0.4
253.08823	0.8
263.44470	0.4
334.44745	0.4
344.45590	0.5
389.37448	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09220	0.8
55.01891	0.9
56.98835	0.9
57.03461	1.4
59.01383	100.0
59.81658	1.0
60.09489	0.8
61.98849	2.0
71.01368	17.0
73.02962	2.3
75.15916	0.9
75.57586	1.0
83.01386	1.6
85.02950	7.0
87.00877	1.2
89.02459	6.6
95.01341	1.4
95.05032	1.4
99.00858	1.3
101.02436	10.4
113.02457	6.2
139.04022	10.5
148.11201	1.0
161.04553	2.3
300.89532	1.0
399.23975	8.8
417.25043	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03443	0.1
59.01397	0.7
59.62573	0.1
62.43342	0.1
70.61792	0.1
71.01398	0.2
72.18596	0.1
76.57873	0.1
78.95908	4.4
79.95749	1.6
82.44747	0.1
84.95729	0.1
92.10210	0.2
96.96017	100.0
96.96908	7.1
98.95583	0.2
116.92873	0.1
135.04521	0.6
149.06044	0.2
154.51471	0.1
161.02414	0.2
177.05576	0.2
179.03513	0.7
189.23911	0.1
239.05629	0.2
240.06000	0.2
253.00294	0.1
261.64899	0.1
266.82980	0.1
281.13849	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.2147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	0.5
55.65393	0.5
57.03456	5.4
59.01387	55.9
62.12965	0.6
64.62415	0.5
69.03487	0.6
71.01400	3.8
78.95911	0.6
83.01399	0.9
83.05042	4.6
85.02971	2.6
87.00877	5.7
89.02454	1.1
95.01428	0.8
95.05035	1.2
96.96013	13.3
96.96955	0.9
97.06567	1.0
98.95576	2.1
99.92604	0.7
101.02447	2.5
107.05046	0.9
109.02969	1.1
109.06651	0.7
111.08187	2.3
113.02476	2.8
116.92891	1.0
119.05082	0.7
121.02969	0.7
121.06589	4.7
122.03762	0.8
123.08179	12.3
124.05346	0.9
125.02442	6.1
125.06110	0.9
133.03004	1.1
135.04538	3.6
135.08197	0.9
137.06108	0.9
137.09740	2.9
139.07674	3.8
145.10220	0.7
149.02452	0.8
151.00391	1.3
151.07634	2.4
153.01939	0.9
157.34630	0.6
161.02458	6.2
163.04028	0.9
165.05588	0.7
169.10190	0.8
171.11801	11.2
175.04001	0.9
175.11273	0.8
177.01953	6.1
178.99918	0.7
179.03516	1.3
183.03000	0.9
189.12881	3.2
201.12871	1.2
207.13983	2.4
214.62468	0.6
229.14674	0.6
237.15004	8.6
241.42821	0.6
275.05753	0.8
281.13992	100.0
285.03989	1.4
303.05115	4.0
303.08600	0.7
305.13898	4.6
323.14880	1.0
335.15195	0.9
339.07150	2.4
443.19614	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1795
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
58.12150	0.2
59.01388	0.2
63.08577	0.2
65.85093	0.2
78.95906	9.8
79.95746	1.8
92.96072	0.2
96.96014	100.0
96.96928	14.7
213.79865	0.3
251.76736	0.2
299.73633	0.2
336.71722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1799
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01378	0.2
61.18844	0.2
62.50204	0.2
66.55973	0.2
71.01393	0.2
78.95901	7.4
79.95730	1.4
80.99118	0.1
90.02152	0.1
96.96008	100.0
96.96916	11.5
112.31968	0.2
126.37764	0.1
133.02863	0.2
150.17172	0.2
161.02452	1.0
168.28514	0.2
204.92323	0.1
257.39255	0.2
281.13986	0.6
345.34555	0.2
500.73154	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1805
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
54.82882	0.1
55.94231	0.2
59.01384	0.4
60.45781	0.2
62.68101	0.1
71.01376	0.2
75.28512	0.1
78.95903	6.0
78.96322	0.3
79.95744	1.4
89.97118	0.2
96.96011	100.0
96.96913	9.3
132.02158	0.2
133.02962	1.5
135.04530	2.5
142.04559	0.2
161.02454	7.9
161.39870	0.2
169.20007	0.2
172.68982	0.2
173.00841	0.2
179.03511	2.7
219.02066	0.2
254.70927	0.2
297.93323	0.2
323.07910	0.7
341.08878	3.1
395.47253	0.2
503.14087	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26149	0.1
54.82732	0.2
55.01857	0.1
59.01396	1.6
61.98874	0.2
65.00345	0.2
69.32379	0.2
71.01385	0.4
71.26344	0.2
72.99316	0.2
73.02958	1.8
82.35870	0.2
83.01387	0.2
85.46175	0.2
89.02479	0.2
96.96028	0.3
99.00877	0.4
99.92583	7.7
107.01385	0.3
113.69896	0.2
114.93441	0.3
116.92866	100.0
116.97224	0.7
117.01941	2.8
117.05602	0.2
117.92880	0.4
124.01661	0.3
125.02464	1.7
149.99593	0.3
151.00359	1.5
151.04103	0.3
152.01163	0.3
166.02809	0.3
168.00616	1.2
178.99873	0.7
181.16507	0.2
215.03487	0.3
257.42377	0.2
301.03580	0.8
465.10422	0.3
503.14093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26149	0.1
54.82732	0.2
55.01857	0.1
59.01396	1.6
61.98874	0.2
65.00345	0.2
69.32379	0.2
71.01385	0.4
71.26344	0.2
72.99316	0.2
73.02958	1.8
82.35870	0.2
83.01387	0.2
85.46175	0.2
89.02479	0.2
96.96028	0.3
99.00877	0.4
99.92583	7.7
107.01385	0.3
113.69896	0.2
114.93441	0.3
116.92866	100.0
116.97224	0.7
117.01941	2.8
117.05602	0.2
117.92880	0.4
124.01661	0.3
125.02464	1.7
149.99593	0.3
151.00359	1.5
151.04103	0.3
152.01163	0.3
166.02809	0.3
168.00616	1.2
178.99873	0.7
181.16507	0.2
215.03487	0.3
257.42377	0.2
301.03580	0.8
465.10422	0.3
503.14093	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54543	0.8
59.01403	1.2
71.01397	2.0
73.02966	1.4
78.14443	1.0
78.95923	5.3
79.95736	1.2
83.01392	1.1
85.02980	5.9
87.00895	4.8
90.69914	0.7
92.10044	1.4
95.01393	1.3
95.58945	0.8
96.96016	58.2
96.96926	8.3
101.02449	1.0
107.00732	1.0
108.02184	100.0
109.02966	33.8
111.00890	13.2
113.02418	1.4
129.05511	1.0
130.29001	0.8
135.04546	1.4
143.03465	1.6
144.03043	2.0
149.00929	1.6
151.04024	1.4
152.01163	80.7
152.10417	0.8
153.01958	24.2
161.04593	1.1
163.03941	1.2
165.02066	1.0
169.02876	0.9
177.05780	1.0
191.01987	4.3
206.40887	0.8
239.17685	1.0
315.07257	93.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51812	0.1
51.92752	0.1
54.20248	0.2
55.01874	0.2
57.03459	0.8
59.01392	7.6
71.01402	0.9
73.02944	0.2
73.76346	0.1
78.95915	4.4
79.95750	1.7
83.01403	0.2
83.05037	0.3
85.02956	0.3
87.00898	0.9
92.10091	0.3
95.05061	0.2
96.96021	100.0
96.96914	7.5
99.92588	0.2
101.02472	0.4
107.05067	0.2
111.04532	0.2
113.02514	0.2
116.92890	0.3
121.02956	0.2
121.06606	0.3
123.08155	1.7
124.65907	0.1
125.02449	1.1
135.04558	0.3
137.09703	0.3
148.19263	0.2
153.01920	0.4
171.11807	1.3
179.03534	0.2
207.13986	0.2
237.15128	1.5
239.05667	0.7
241.06360	0.2
281.13992	12.5
285.04114	0.3
303.05060	0.3
305.13925	0.7
529.44098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1057
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97389	0.7
53.51085	0.7
55.01873	0.9
59.01380	2.0
71.01392	2.1
72.99382	0.9
73.02985	1.0
78.95914	5.0
85.02967	7.3
85.03413	0.7
87.00880	8.4
92.66306	1.3
95.01397	1.2
96.96023	62.4
96.96934	6.2
101.02467	1.2
104.46255	0.8
108.02193	100.0
109.02977	30.1
111.00891	18.0
113.02492	0.9
120.52779	0.8
131.71443	0.8
135.04547	1.9
143.03523	1.6
144.03003	0.9
149.00900	1.9
151.04027	1.1
152.01175	78.2
153.01967	23.1
165.01917	1.0
179.03485	1.4
191.01996	9.0
315.07285	90.9
363.31155	1.0
470.86243	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50156	1.5
57.03216	1.8
57.03454	12.2
59.01385	31.5
60.99321	1.7
61.98835	2.4
64.08530	1.5
65.94441	1.7
71.01385	29.6
73.02962	6.4
81.03498	2.8
81.44917	1.6
81.67838	1.5
83.01424	7.6
83.05060	1.6
85.02975	3.8
87.00877	15.6
87.04526	2.3
88.98810	1.8
89.02444	7.3
92.10728	3.9
96.96030	7.1
101.02429	6.6
109.02981	4.0
111.00873	2.0
113.02454	2.0
121.02942	2.5
124.21216	1.9
125.02448	34.7
133.05063	100.0
134.03732	1.8
135.04520	2.1
136.05305	2.2
137.02452	35.0
146.03732	2.8
149.06062	2.6
151.03999	4.2
151.07663	9.7
155.83044	1.6
164.01218	3.4
165.01938	16.2
167.03473	1.8
173.06137	3.1
175.07677	11.5
176.04678	2.4
177.01900	3.2
179.03468	2.2
191.03545	2.3
200.04791	3.0
202.06268	2.1
203.07199	3.7
229.08725	11.0
241.08849	6.6
299.12985	2.6
301.07199	2.8
323.13049	3.2
349.11124	3.4
362.92578	1.9
367.11951	22.2
385.12982	19.2
463.12668	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	503.0684
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26998	0.4
54.13631	0.5
54.83421	0.8
56.07320	0.5
57.03456	5.8
59.01381	4.8
63.98083	0.7
67.01891	1.4
72.99299	5.1
73.02967	1.1
78.95927	0.7
85.02951	26.0
85.03452	0.9
87.00873	49.3
92.71337	0.6
94.89095	0.7
99.00882	0.8
103.00382	2.4
105.01958	1.0
107.05004	0.8
111.00885	86.8
112.98820	1.0
117.01969	1.2
129.01950	6.4
134.03758	6.7
135.04526	100.0
149.00922	68.1
154.99832	2.6
161.00978	0.7
173.00934	5.2
179.03506	91.9
180.03783	0.8
181.87505	0.6
191.02002	62.2
311.04245	8.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1258
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40926	3.1
58.00607	3.4
59.01385	66.4
62.81639	3.6
65.54459	3.2
71.01381	53.8
72.99343	4.5
83.01414	5.7
85.02947	15.2
87.00880	24.1
89.02431	33.1
89.40018	4.1
93.03463	6.3
96.96008	41.4
99.00876	19.1
101.02421	8.7
112.23347	4.0
113.02457	21.1
115.00416	32.1
119.03520	8.2
119.05032	58.0
131.05003	4.4
133.02950	29.7
133.06638	6.0
133.83578	3.9
145.03004	15.7
147.04517	23.7
149.06091	46.5
159.04553	7.5
161.04553	7.9
163.04018	21.3
175.02498	43.8
177.05579	41.8
179.05548	9.0
187.03989	18.2
189.05576	9.2
199.03937	5.8
205.05080	100.0
216.04703	4.7
217.04988	30.5
221.04544	74.7
259.06192	10.1
261.04053	9.4
277.07178	43.5
321.06091	31.3
328.38419	4.0
377.90298	4.6
501.12637	33.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01139	0.1
59.01405	0.7
61.63460	0.1
62.15406	0.1
70.03220	0.2
71.01424	0.2
71.37802	0.1
73.02976	0.2
88.15717	0.1
92.10881	0.1
93.03467	0.6
101.70441	0.1
106.04254	12.2
108.01529	0.2
108.02190	3.0
109.02971	1.6
117.03497	0.8
119.05035	0.5
121.02950	1.6
122.03740	1.4
132.02219	0.2
133.02960	0.3
138.03239	0.8
145.02933	0.2
146.03764	1.7
147.04546	4.4
148.01637	0.2
149.02452	1.6
159.04549	0.2
163.02577	0.1
166.05582	0.1
178.30176	0.1
197.26683	0.1
209.09813	0.2
211.07687	0.3
238.06387	1.1
251.07042	0.2
253.08734	100.0
254.09029	1.2
271.09778	0.5
295.09851	0.2
319.54712	0.2
351.35104	0.1
397.13147	0.5
405.86819	0.1
415.13947	0.2
457.15268	1.0
459.36041	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03784	0.9
54.18900	0.9
54.82634	1.0
57.03455	8.0
59.01403	5.1
60.54313	0.9
61.98840	1.5
65.00349	2.5
71.01400	2.0
78.95922	1.2
83.01409	5.1
83.46493	1.0
90.60078	1.0
96.96011	57.4
102.48449	1.0
107.01406	5.9
108.02226	2.0
109.02941	5.3
115.07619	1.4
119.05048	1.6
121.02975	4.6
122.03777	1.2
123.04530	6.9
124.01640	1.4
125.02444	100.0
125.65707	1.0
131.01384	1.7
137.02431	7.7
139.04044	2.0
147.04642	1.0
149.02443	14.5
150.03194	1.5
151.00378	31.3
151.04037	5.4
152.01201	2.2
153.01947	27.0
163.04063	1.4
164.51443	1.4
165.02005	2.5
167.03543	2.1
169.01465	1.5
174.03232	1.3
175.00394	6.8
175.04024	14.1
177.01962	14.9
178.99878	21.5
181.01428	14.2
189.05573	4.9
191.03482	1.3
195.02988	1.9
199.04007	6.7
201.01947	1.5
205.01476	1.3
214.70100	1.0
215.07033	1.4
217.05066	6.4
224.89308	1.1
241.05084	3.9
244.79874	1.1
257.31076	1.2
259.06134	1.9
275.05640	19.0
285.04077	38.4
299.05612	4.2
303.05197	84.5
303.08771	7.1
311.09140	1.1
341.05408	2.3
343.06696	2.0
403.16119	4.0
441.14105	2.1
447.09207	1.7
465.10263	7.3
518.66675	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0813
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37205	1.5
65.00336	12.6
68.42252	1.5
80.62518	1.4
83.01424	8.7
107.01401	25.6
108.57212	1.4
121.35007	1.4
123.00883	2.9
124.01693	8.1
125.02451	22.5
139.04033	2.6
140.77180	1.5
149.02458	6.4
151.00388	100.0
151.03998	15.9
152.01180	38.3
166.02713	35.2
167.03561	14.3
167.04823	2.2
169.01414	1.8
175.00418	8.6
177.01746	1.7
178.99863	48.4
180.00687	2.3
187.03975	3.7
191.03545	2.5
192.00658	7.0
193.01424	17.7
211.04057	2.3
215.03552	20.4
227.03426	2.0
231.03055	2.4
255.02975	6.3
256.92545	1.6
257.04477	2.7
259.02478	1.8
273.04117	2.0
281.16309	1.6
283.02527	7.3
301.03586	57.4
313.09341	5.9
318.03802	3.2
319.04587	8.0
339.07257	11.1
465.10468	54.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60773	0.2
55.79000	0.2
55.82518	0.2
57.03461	2.1
59.01393	1.7
63.02417	1.9
65.00336	15.2
71.01365	0.4
73.02905	0.3
83.01390	8.3
88.98769	0.3
95.01398	1.9
107.01396	26.1
108.84856	0.3
108.99342	0.5
109.02963	0.5
116.92867	0.3
118.87135	0.4
121.02922	2.1
123.00882	4.3
123.04548	0.4
124.01662	8.5
125.02444	20.0
135.00868	0.3
137.02449	1.8
139.00385	1.3
139.03996	3.0
141.01942	0.6
143.05080	1.1
145.02968	0.3
145.06572	0.3
147.00880	1.7
149.02455	7.2
151.00383	100.0
151.03998	17.3
152.01166	39.9
153.01988	2.3
155.05052	0.6
157.06577	0.7
159.04523	1.4
161.02325	0.4
163.00346	0.5
163.04045	0.5
164.01181	0.7
165.01900	2.4
166.02725	36.7
167.03519	13.6
167.04863	0.6
169.01443	4.3
171.04532	0.6
173.02391	0.3
173.06087	0.5
174.03195	0.3
175.00371	6.2
175.04039	1.4
176.01201	0.5
177.01900	1.4
178.99870	47.4
180.00648	1.9
181.01442	0.4
183.04495	1.3
185.02446	0.7
185.05931	0.4
187.04016	4.1
189.01955	0.6
190.02766	0.7
191.03508	5.4
192.00688	6.7
193.01434	16.3
195.04678	0.4
197.02371	0.3
199.04004	0.6
201.05600	1.2
203.03520	1.9
205.05157	1.1
209.04547	0.4
211.04120	2.2
213.05592	1.2
214.02710	1.5
215.03526	17.8
217.01402	0.4
217.05008	0.5
227.03513	2.3
229.05028	1.8
231.03020	4.0
233.04625	2.1
238.55325	0.3
239.03523	1.8
243.02960	0.4
255.03047	4.4
256.03555	0.5
257.04675	4.5
259.02426	0.4
271.02469	2.2
273.04166	3.9
283.02478	4.2
299.02042	2.8
300.02530	0.4
301.03558	46.8
302.03979	0.4
313.09363	6.1
318.03845	4.4
319.04681	5.9
339.07263	8.1
433.46060	0.3
444.95224	0.4
447.09229	3.8
465.10425	42.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52321	0.5
54.82786	0.6
55.83709	0.4
56.64959	0.5
57.03456	6.1
59.01385	4.0
60.99329	2.4
63.02409	0.9
65.00327	16.3
65.00672	0.6
71.01400	0.5
78.33735	0.6
79.93802	0.6
83.01392	9.8
88.98800	18.6
89.02464	0.8
93.41654	0.6
95.01410	3.1
95.13305	0.6
107.01393	28.8
108.02250	0.7
109.02973	2.2
111.00887	1.1
119.03548	0.6
121.02959	2.4
123.00887	3.5
123.04546	2.5
124.01651	9.8
125.02445	56.9
133.03008	0.6
135.04483	0.6
137.02466	2.6
139.03978	4.7
141.01794	0.6
143.05034	1.1
147.00928	1.0
147.04480	0.6
149.02466	8.1
149.99666	0.6
151.00385	100.0
151.04007	16.8
152.01170	41.3
153.01907	4.6
159.04581	2.3
161.02412	1.0
164.01122	0.9
165.01976	2.8
166.02725	32.0
167.03523	13.4
167.04945	1.1
168.00648	1.1
169.01454	5.8
169.02707	0.8
171.04483	0.9
173.06155	0.7
174.03249	1.2
175.00385	7.0
175.04008	2.9
177.01945	3.0
178.99873	46.8
180.00595	0.7
185.02556	0.8
187.04027	4.5
188.54391	0.6
189.05597	2.8
190.02597	0.7
191.03551	6.1
192.00658	6.0
193.01427	16.0
193.05099	0.7
199.04002	1.1
201.05640	0.9
201.29196	0.6
205.05257	0.7
211.04059	2.2
213.05612	1.2
214.02689	2.3
215.03531	14.8
217.05113	4.6
225.28271	0.6
227.03473	2.7
229.05063	2.2
231.03026	3.0
233.04630	0.8
239.03557	1.2
255.03012	2.9
256.03812	0.6
257.04572	5.6
259.06232	3.0
273.04120	4.2
274.04663	0.8
275.05710	3.2
283.02469	4.8
285.04053	7.7
301.03586	44.4
303.05130	1.3
313.09372	6.4
318.03833	4.2
319.04642	6.4
339.07220	8.4
437.11044	3.7
447.09518	5.5
463.84464	0.6
465.10458	76.2
501.12643	1.3
501.20535	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57022	0.8
54.60272	1.2
57.03471	0.9
59.01398	5.4
61.98835	100.0
63.15147	0.7
71.01403	2.0
77.46532	0.9
85.02962	1.0
96.96040	1.8
97.33451	1.1
101.02455	1.9
125.02435	1.0
300.09952	1.4
319.27209	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.0273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63950	2.4
51.44662	2.7
59.01399	15.7
62.91944	3.0
69.03476	3.5
71.01407	18.4
72.99343	15.5
73.02966	3.0
77.24117	2.9
78.95909	100.0
85.02974	12.8
87.00876	26.6
96.96020	30.5
96.96954	23.6
113.02465	14.1
136.93248	15.0
149.00937	12.6
152.92783	7.8
153.00958	2.9
181.36766	4.0
190.94212	3.6
192.92276	3.8
194.93709	4.9
210.68645	3.3
214.88333	53.9
216.89824	5.7
222.93245	3.7
288.91968	25.7
330.92496	3.9
332.89810	5.7
342.97800	3.3
347.05475	3.2
356.90121	6.0
374.90793	6.3
384.94098	15.8
384.98727	12.1
398.90753	30.4
402.99170	7.9
440.91885	18.4
446.94101	4.6
456.98837	3.7
464.95117	40.2
482.96100	8.1
501.14426	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	500.178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	1.8
56.61832	1.7
57.03457	4.5
59.01387	100.0
61.98830	3.4
69.03464	4.9
70.06098	1.6
71.01380	50.2
71.01724	3.0
72.52391	1.7
72.99326	3.3
73.02954	21.5
75.55520	1.6
81.03456	2.0
83.01386	13.1
85.02949	35.6
86.03297	1.9
89.02443	23.0
95.01415	3.9
96.95994	4.9
97.02971	12.3
101.02429	33.1
101.70210	2.3
103.04005	20.1
109.02962	2.4
111.00958	2.3
113.02468	7.9
115.60712	2.0
118.83656	1.9
119.03521	10.8
125.02450	32.6
127.04047	2.5
129.01941	3.2
131.03745	3.4
152.87361	1.9
161.04480	3.6
163.06154	23.6
205.03539	2.3
223.04533	8.9
244.03165	3.7
247.08202	4.4
247.77443	2.2
271.02576	2.3
273.04089	2.9
274.04349	3.2
300.02237	8.0
307.10376	61.4
319.37402	2.1
325.99231	2.5
440.16132	2.8
507.07010	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	499.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	3.7
59.01386	38.9
70.78383	3.3
71.01389	28.4
72.04023	2.7
72.99317	4.2
83.01411	6.7
85.02946	26.9
87.00896	15.6
88.04893	3.1
89.02444	22.4
96.96062	3.4
99.00887	15.6
101.02433	5.2
109.02966	22.3
113.02437	13.2
115.00388	55.7
116.92859	7.8
119.03520	4.2
127.00352	13.8
133.02968	19.2
135.04532	12.0
139.00314	3.8
139.03998	4.0
147.04564	12.3
149.06099	92.9
161.02458	100.0
161.06134	3.7
165.05457	3.2
174.03304	5.5
175.02470	84.5
175.04015	40.2
176.04591	3.0
177.01938	23.9
177.05473	4.0
187.04027	17.1
189.05585	15.7
193.05075	12.4
199.66879	3.3
200.04933	3.1
203.03516	6.6
206.02283	3.7
215.03561	13.9
219.03062	24.9
232.03708	3.5
233.04614	33.0
237.04109	28.0
245.04530	4.6
275.05566	6.8
277.03473	22.9
278.21838	3.0
293.06781	20.5
319.04623	4.2
337.05518	93.1
455.12137	16.8
499.11005	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1105
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	3.6
59.01392	9.1
61.98838	1.0
63.00874	0.9
63.02402	1.1
63.03151	0.8
64.80847	0.7
65.00344	5.6
71.01414	3.4
73.02975	0.9
76.58627	0.7
83.01395	8.3
85.02940	8.6
90.81789	0.9
92.07198	0.9
93.03480	1.3
95.01387	1.6
96.96054	1.0
101.03903	0.8
107.01387	8.8
107.05104	0.9
109.02971	4.1
109.68604	1.0
111.00889	1.8
115.05576	1.0
117.03487	1.6
125.02445	15.4
129.01950	1.8
131.05051	3.3
133.02977	3.5
135.04549	6.9
137.02422	1.7
143.05045	2.0
144.28056	0.9
147.04517	1.1
151.00380	22.3
155.05054	3.7
157.02908	1.7
157.06657	1.3
159.04547	8.5
161.02454	11.7
163.04047	1.4
164.01161	3.8
165.01958	1.6
169.01387	0.9
170.12599	1.0
171.04607	1.3
173.06119	4.5
175.04028	8.6
177.01968	6.9
177.05573	5.7
178.99918	2.1
183.04501	7.5
185.02444	6.4
187.00374	1.0
187.04042	3.6
191.03683	0.9
193.90987	0.9
199.04012	16.7
201.02054	9.8
201.05597	4.5
203.03535	10.1
205.03479	1.5
205.05113	4.7
211.04051	1.7
215.03575	3.9
217.05113	9.4
223.04599	4.7
227.03549	24.0
229.01456	1.9
229.05104	4.0
230.02258	3.5
231.03107	4.8
243.03004	29.6
245.04634	11.0
255.03023	10.4
271.02530	52.5
273.04099	55.5
273.07065	2.0
289.07312	2.0
299.02023	100.0
316.02103	1.0
317.03030	7.7
335.04529	0.9
344.94965	1.0
463.08960	22.7
470.40411	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13124	1.9
55.01900	2.5
57.03460	2.9
59.01390	39.2
67.01907	2.4
67.92089	2.0
71.01378	31.6
71.76438	2.0
72.99316	5.5
73.02941	2.5
79.71184	2.2
83.01392	4.3
85.02972	22.2
87.00851	19.9
89.02463	10.0
92.10188	3.3
94.21435	2.4
96.96032	15.1
99.00885	11.6
101.02464	14.0
109.02963	21.1
111.00864	3.2
112.98833	2.6
113.02470	9.2
115.00379	60.8
115.01140	3.9
121.02956	3.6
123.00977	2.7
125.02454	3.7
127.00378	10.6
133.02983	25.0
135.04539	12.4
147.04524	10.0
148.05315	4.4
149.06088	78.5
159.04494	3.6
161.01117	4.0
161.02455	100.0
161.06033	4.1
163.04056	9.1
174.03140	3.4
175.02478	81.7
175.04031	36.8
177.01956	25.4
185.06084	2.8
187.04022	24.3
188.04910	3.3
189.05649	17.5
193.05077	9.9
203.03589	8.9
205.05067	3.8
206.02310	4.3
213.05714	2.9
215.03548	14.9
217.05090	2.9
219.02956	25.7
231.02898	3.1
231.06586	3.0
233.04546	29.3
237.04062	40.7
245.04463	3.6
275.05591	14.7
277.03510	15.3
293.06677	11.1
316.28110	2.9
319.04791	4.6
337.05533	91.4
410.83420	2.6
455.12109	16.0
499.11041	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.066
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	0.8
59.01386	5.3
65.00355	2.7
68.99831	1.1
71.01405	2.0
71.27001	0.3
83.01378	3.3
85.02964	3.6
89.02443	0.6
95.01420	0.6
96.96020	1.0
101.02426	0.4
107.01417	4.7
109.02982	0.7
111.00860	0.7
117.03479	0.7
119.01411	0.6
121.31992	0.4
124.01678	0.6
125.02454	4.5
127.05556	0.4
129.01967	0.9
131.05063	0.9
133.02956	0.9
135.00888	0.6
135.04541	2.0
137.02477	1.0
139.00417	0.6
143.05077	0.5
148.01657	0.5
149.02444	0.7
151.00388	13.1
151.01553	0.8
152.01106	0.6
155.05058	2.2
157.02951	0.7
159.04515	3.7
161.02440	5.7
163.00468	1.5
163.04054	0.8
164.01181	10.0
165.99150	0.5
171.04648	1.5
173.06119	2.1
175.04048	2.8
177.01970	2.8
177.05591	0.9
178.99870	3.5
183.04572	5.3
185.02498	2.0
187.00383	0.6
187.04094	1.0
189.01889	0.5
193.01399	0.5
198.03351	0.4
199.04034	6.9
201.01988	12.2
201.05644	1.0
203.03572	9.3
205.05150	0.5
211.04015	0.5
215.03528	2.5
217.05110	2.6
219.02966	0.6
223.04543	1.0
227.03571	13.0
229.01520	0.5
229.05096	0.6
230.02202	0.7
231.03004	8.4
242.02246	0.5
243.03003	13.1
244.03932	0.5
245.04611	3.0
247.72937	0.4
255.03036	7.3
271.02533	91.3
272.02872	1.0
273.04074	15.2
275.25284	0.5
287.01941	0.7
299.02029	100.0
300.02631	3.5
301.03372	1.6
316.02267	8.6
317.03091	4.9
463.02521	0.9
463.08966	22.2
463.15353	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.2614
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94381	0.5
55.01892	7.9
57.03458	5.6
58.00603	0.9
59.01390	79.4
61.98842	1.4
69.03477	0.7
71.01393	43.0
72.99321	2.5
73.02956	22.4
73.03347	0.9
75.00840	0.7
83.01402	18.0
83.01879	0.8
85.02962	29.8
85.03442	1.3
87.00901	3.0
87.04553	0.7
87.21111	0.8
88.98818	0.7
89.02472	4.8
95.01392	1.6
96.96001	1.5
97.02969	1.1
99.00878	8.7
99.60448	0.6
101.02452	59.4
103.04042	1.1
111.00875	1.2
113.02457	19.4
124.71053	0.8
125.02477	2.9
127.11263	0.8
129.01979	0.9
143.03529	3.0
159.02997	2.8
161.04575	13.7
177.07347	0.7
229.07172	0.7
263.43274	0.6
291.18179	59.4
299.09238	3.4
405.78561	0.8
437.23975	100.0
438.24414	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1674
Annotation	Globulusin B
Peak:m/z	Relative Intensity
50.96985	1.2
56.54523	1.2
59.01389	10.8
60.41858	1.3
61.98840	6.6
69.03468	6.3
71.01411	1.7
81.03473	1.5
83.01420	2.8
85.70298	1.6
89.02474	2.2
92.10170	1.7
94.11301	1.6
95.01421	2.0
96.15090	1.4
96.96017	3.4
97.02970	2.1
101.02425	1.9
107.01378	2.0
109.02984	3.5
109.98956	2.0
114.40008	1.5
123.00887	11.5
123.04527	3.4
124.00819	2.8
124.01668	42.9
125.02448	92.6
137.02435	3.4
139.00375	9.7
145.02957	1.8
149.98497	2.6
149.99605	52.7
151.00438	3.5
153.02022	2.4
154.02708	10.3
161.02382	1.7
168.00661	80.2
169.01385	8.1
169.05043	3.3
183.10236	2.7
191.03436	1.6
207.09882	1.6
289.07227	6.3
313.05685	1.6
329.84421	1.8
402.88168	1.7
497.16730	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	497.1618
Annotation	Artonol D
Peak:m/z	Relative Intensity
54.83131	1.5
59.01375	11.4
60.32061	1.8
61.98833	4.2
67.17406	1.4
70.82442	1.8
71.01362	2.6
77.51487	1.6
78.95911	11.9
87.00915	3.0
90.21846	1.6
92.10127	6.6
93.03465	4.1
96.96024	4.6
109.02970	13.1
119.47914	1.8
121.02969	3.5
123.04496	1.9
135.04504	3.9
147.04597	2.2
147.08208	1.9
149.06015	2.4
151.04071	2.5
152.99600	12.2
165.05638	2.5
180.05864	2.6
181.06665	2.0
185.06020	3.3
194.07420	2.6
195.08159	3.7
196.05354	4.4
197.06204	2.0
199.03990	4.2
199.07712	7.8
209.06047	9.9
210.06871	4.1
211.07719	17.9
212.04822	3.1
213.05699	2.3
217.08798	2.1
218.09369	3.2
225.05643	4.0
227.07187	26.2
238.06375	2.6
239.07196	47.3
240.04189	2.9
240.07918	2.5
241.08705	7.8
253.08728	2.2
255.06682	92.3
256.07318	2.6
264.64713	2.3
268.07492	3.0
269.08273	4.3
281.08170	4.2
305.08209	2.4
360.10123	2.7
375.12589	6.7
387.12567	2.9
399.12466	2.8
403.11929	4.3
497.16104	100.0
511.67740	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	497.0867
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87434	0.5
54.83303	0.7
59.01402	1.5
61.98835	5.0
67.02278	0.5
71.01403	0.7
98.96677	0.7
123.00933	1.1
124.01681	3.0
125.02468	5.4
137.02417	0.7
145.02953	0.7
149.06236	0.6
149.99579	2.8
151.00385	3.2
156.77319	0.6
167.03589	1.0
168.00670	4.2
191.03510	6.2
199.04037	4.3
201.01921	1.2
215.03575	2.8
227.03496	3.7
242.02214	8.7
243.02997	45.8
244.03383	0.8
255.02989	5.1
257.04575	12.8
270.01746	9.0
271.02499	47.4
272.03198	1.1
285.01346	0.9
285.04086	23.9
286.04849	5.0
297.07684	3.3
299.02032	19.5
300.02789	13.2
314.04385	65.0
315.05145	28.7
315.08807	1.3
352.61234	0.7
461.10971	100.0
462.11426	1.0
497.09833	0.7
497.16776	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	495.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.4
57.03463	3.4
57.55384	1.8
59.01385	100.0
61.98837	3.9
71.01379	52.8
72.99307	2.2
73.02960	17.7
76.15781	2.0
83.01392	13.9
85.02962	29.9
88.98820	3.2
89.02444	5.3
92.52661	2.0
93.03479	3.7
95.01374	2.6
97.02926	3.7
99.00875	5.0
101.02443	42.0
103.04012	2.7
109.02971	8.4
113.02451	18.6
113.34357	2.1
121.68143	2.6
123.04543	9.1
125.02477	11.3
133.02971	2.7
145.03015	2.9
147.04533	2.3
151.04057	4.4
161.04582	13.4
177.01939	7.8
189.01918	24.9
203.03548	3.9
216.00444	2.5
217.01497	16.6
219.02954	2.6
273.20700	26.1
289.16580	33.1
341.06699	30.8
387.44614	2.5
435.10889	13.8
435.22339	69.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.1102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75023	0.2
57.03446	0.3
59.01392	1.8
61.98833	100.0
63.02396	0.4
65.00320	0.7
72.41197	0.2
76.17123	0.3
83.01388	1.1
92.10804	0.7
98.39066	0.4
107.01430	2.3
111.00887	0.4
117.03522	0.4
123.00880	0.5
124.01675	2.7
125.02428	2.6
134.03719	0.3
135.04468	1.2
151.00375	8.4
152.01160	23.2
169.01338	0.4
175.95224	0.3
177.48996	0.3
178.99866	19.8
180.00575	0.7
201.05644	0.3
215.07202	0.5
225.05579	0.4
241.05092	0.4
243.06667	0.4
259.06125	5.6
269.04581	13.2
284.02335	0.4
286.04797	1.1
287.05710	3.1
337.26825	0.3
368.22910	0.3
433.11459	24.2
434.11612	0.4
524.49127	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	3.1
60.99314	18.3
61.98839	0.7
68.88876	0.4
70.15139	0.5
71.01384	1.1
87.00884	0.9
88.98810	100.0
89.02428	4.3
92.10788	1.4
92.65171	0.6
97.02959	1.1
98.44386	0.6
119.05000	0.6
135.04518	0.7
148.32417	0.6
167.03502	1.0
262.40878	0.6
273.07690	3.2
370.12607	0.5
495.24600	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2456
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	3.2
55.28347	1.5
57.03478	2.6
59.01388	61.4
60.54905	1.7
61.98854	11.0
67.82330	1.6
71.01389	28.8
72.99313	3.8
73.02944	13.9
77.17828	1.7
83.01406	11.2
85.02967	19.2
89.02460	10.5
92.10766	2.8
93.03486	7.9
93.70686	1.7
96.96001	2.2
99.00906	6.7
101.02444	28.9
109.02964	24.4
113.02465	17.0
119.03464	2.9
119.04967	3.3
123.04533	22.8
124.01684	1.9
125.02441	10.6
133.02940	3.4
145.02972	7.0
149.02509	2.8
151.00397	2.1
151.04047	13.8
161.02414	2.4
161.04549	8.5
177.01952	39.0
187.03999	4.5
188.04655	2.4
189.01996	33.6
190.02701	15.7
191.03496	7.0
194.83318	1.9
196.02364	2.0
197.11905	2.0
203.03612	2.0
216.00673	10.1
217.01451	28.9
218.02138	2.5
219.03065	7.4
229.04993	2.9
231.02968	10.8
271.06171	10.6
273.20673	2.3
281.04602	11.9
283.06146	3.2
289.07193	7.1
289.16547	27.6
297.07947	5.5
341.06708	100.0
393.09601	1.9
435.10861	34.0
435.21912	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	63.5
60.99324	4.0
61.98840	7.5
67.42760	0.6
71.01393	8.0
71.05046	2.3
71.98587	0.6
72.99326	0.8
73.02972	0.9
77.54257	0.6
84.52909	0.5
85.02982	2.9
85.92661	0.5
87.00922	1.1
87.04527	2.8
88.98817	24.5
89.02449	5.8
90.12419	0.5
97.01221	1.3
99.04517	11.6
99.08182	3.3
101.02461	4.2
103.00369	7.8
113.02463	2.9
115.04025	6.0
115.07683	0.8
117.05573	9.8
119.03519	0.9
143.07158	3.9
153.01930	1.3
160.42834	0.7
161.08211	100.0
179.05583	0.6
203.09253	13.3
216.14653	0.6
272.06900	1.0
333.09857	2.7
419.01825	0.7
432.67508	0.7
435.26193	8.5
495.25037	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	495.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74933	0.3
57.03464	0.4
58.00592	1.5
59.01386	29.8
71.01381	13.5
72.99326	1.1
73.02956	0.4
80.05064	1.7
81.49367	0.4
83.01393	0.7
83.05012	0.4
85.02962	3.4
89.02445	9.6
92.10793	0.7
95.01381	0.5
99.00866	0.4
101.02449	4.6
106.06671	0.6
108.04552	15.2
113.02440	4.7
119.03504	3.0
121.03029	0.4
121.05318	1.5
122.06126	1.5
123.03299	0.5
123.04500	0.6
125.02476	0.6
127.17635	0.4
132.04509	0.5
134.06113	0.6
136.05354	0.5
136.07675	24.8
137.02454	0.6
138.05618	2.4
147.03261	2.3
148.04071	0.6
150.03172	0.4
162.05621	8.1
165.05618	0.5
166.05096	5.0
184.11385	0.5
186.08701	0.4
197.07167	0.9
198.07913	0.6
200.06023	0.4
202.12508	0.4
209.11917	0.8
212.09518	0.6
213.06702	3.0
216.06685	0.5
217.07404	0.4
227.08299	1.3
227.11964	2.0
228.10521	0.6
229.09827	1.9
231.11458	0.4
238.07443	2.5
241.06117	0.8
242.06993	2.4
243.11400	2.2
246.11292	0.4
249.87035	0.4
253.09856	5.8
254.10500	0.5
255.07640	0.8
255.11395	0.9
256.08487	1.7
270.10181	1.7
271.10904	100.0
272.11371	0.6
332.09290	0.6
433.16049	0.8
435.33020	0.5
451.17194	0.9
469.00516	0.4
477.69623	0.4
495.16101	7.9
495.31479	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14116	1.4
55.43292	1.5
59.01394	2.7
60.22978	1.8
65.00333	19.6
70.02881	1.4
73.40725	1.7
78.80669	2.0
80.02690	2.1
83.01402	8.8
86.77178	1.8
87.93009	1.6
107.01397	26.7
108.02180	19.5
109.03014	2.2
114.01094	1.6
125.02455	6.7
133.02992	2.7
134.03758	19.0
135.04535	54.9
136.01715	12.6
147.04527	3.8
147.61949	1.8
149.02437	3.4
149.06169	2.8
151.00377	53.3
151.03978	2.3
155.05058	3.8
159.04559	2.6
161.02480	6.6
164.01187	24.1
164.04938	1.9
165.01930	7.0
171.04582	2.6
173.02399	2.0
174.03238	10.3
175.04030	10.4
176.04771	1.8
177.01923	2.6
179.03534	2.1
179.07140	2.3
185.06087	3.6
187.04076	3.3
189.05603	3.0
194.05841	3.1
196.00124	12.9
197.06134	2.6
198.03265	2.0
199.04051	24.8
201.01971	7.0
209.08109	3.4
213.05620	3.8
214.06393	1.7
215.03499	3.9
217.05064	4.2
239.03607	2.1
241.05055	7.5
257.04694	16.7
264.98447	2.0
285.04086	100.0
286.04807	16.0
323.84451	1.8
465.11884	8.0
477.12167	6.8
495.13101	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	495.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37080	1.0
54.47692	1.0
57.47511	1.0
59.01385	9.4
61.98844	2.2
63.02412	1.3
65.00323	16.4
73.98110	0.9
80.02710	1.8
83.01405	6.5
86.18303	1.1
92.10083	2.5
93.03470	1.4
96.95946	1.2
98.47398	1.0
107.01386	24.3
108.02168	15.7
109.07584	1.1
120.56804	1.0
123.00826	1.5
125.02460	8.3
133.02979	7.0
134.03734	14.7
135.04523	48.2
136.01666	11.5
143.05045	1.5
147.04564	5.6
151.00374	58.8
152.99585	1.7
155.05057	6.2
159.04604	2.4
160.01663	2.5
161.02396	8.4
161.06029	1.4
162.33362	1.2
164.01135	22.1
164.04836	1.6
165.01967	2.2
166.37071	1.1
169.01302	1.5
171.04503	7.2
173.02490	1.4
174.03201	10.5
175.03986	9.8
176.04741	1.6
177.01942	4.4
179.03542	5.9
179.07144	1.4
185.06116	4.3
187.04016	5.3
189.05553	5.3
194.05907	5.2
195.04523	1.3
196.00150	15.3
197.06119	2.5
198.03265	2.7
199.04015	32.0
201.01978	9.4
201.05577	2.0
209.08223	6.6
213.05618	5.9
215.03531	8.8
217.05084	4.5
240.04204	1.2
241.05084	8.5
242.05898	1.9
243.03035	1.3
257.04593	16.8
267.03091	1.4
268.03790	1.4
282.65863	1.2
284.03384	1.2
285.04080	100.0
286.04834	15.7
287.05603	2.1
301.07098	1.6
454.01740	1.2
465.11832	5.2
477.12051	6.3
495.13058	27.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50611	1.3
59.01398	33.7
60.99333	3.4
61.57671	1.4
61.98846	7.0
71.01398	14.0
73.02966	3.6
73.63599	1.9
74.31621	1.5
83.01410	3.3
85.02946	3.6
85.21428	1.4
88.98801	22.6
89.02493	2.1
93.03486	11.2
101.02436	11.5
106.97675	1.5
108.02224	2.0
108.76748	1.6
109.02967	20.9
111.00880	1.8
113.02425	3.1
117.03487	1.8
119.05088	3.0
123.04527	20.8
125.02463	7.5
135.04457	1.7
145.02956	9.1
147.04559	2.4
149.02461	2.6
151.00389	1.8
151.04019	17.1
159.04620	1.8
161.02452	3.1
177.01936	27.0
185.06020	1.8
187.04037	3.6
188.04703	3.0
189.01939	35.1
190.02740	12.2
191.03450	2.6
197.11925	3.1
198.12206	2.2
203.03569	2.1
216.00711	8.6
217.01523	15.3
219.03035	11.9
222.01854	1.8
225.05556	1.5
229.05103	2.1
229.08766	3.0
231.03090	6.2
257.08215	2.4
269.04752	1.8
271.06174	8.2
281.04581	10.4
289.07303	3.0
289.16647	3.7
297.07895	11.8
341.06720	100.0
420.52927	2.1
435.10919	31.2
435.21951	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	495.1115
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	17.6
61.98838	100.0
68.99582	0.4
71.01372	2.4
71.05020	0.6
85.02991	1.2
85.95364	0.3
87.04523	0.3
89.02453	1.5
97.01188	0.7
99.04527	2.4
99.08150	0.5
101.02437	1.8
103.00386	2.0
108.02187	0.5
108.04575	3.5
112.98637	0.4
113.02454	0.6
115.04004	1.8
117.05612	2.2
118.35232	0.3
119.03539	0.4
121.05260	0.3
122.06179	0.3
125.02452	0.3
136.07690	4.7
138.01981	8.9
139.02356	3.8
140.02443	1.9
141.00171	0.3
141.08127	0.3
143.07173	0.6
147.03319	0.3
161.08223	21.7
162.05618	1.1
175.02274	0.3
203.09332	2.4
223.76128	0.3
225.07811	0.3
238.07571	0.4
241.06277	0.5
271.10934	19.2
495.16541	1.9
495.24658	1.2
509.18924	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.4
59.01389	12.1
60.99314	1.4
61.98827	0.6
65.00323	0.4
71.01391	4.0
71.05029	5.3
73.02959	0.5
74.74586	0.2
77.03976	0.6
80.24984	0.3
83.01385	2.2
85.02959	1.6
88.98816	7.3
89.02450	4.9
91.01902	4.2
92.10769	0.3
93.03464	1.6
95.01398	0.6
95.05034	4.1
97.02331	0.7
97.02959	20.0
101.02471	3.1
108.02177	4.0
109.02962	0.5
111.04484	0.3
113.02477	1.7
119.03529	1.4
121.02957	6.2
123.04536	12.4
124.01642	0.3
125.02412	0.4
137.02457	22.1
139.04024	100.0
140.04353	0.4
148.31665	0.3
151.00426	0.5
152.01161	6.8
153.05582	0.7
159.08107	0.3
161.04610	0.4
163.00426	0.3
163.03999	1.5
164.01254	0.3
165.01942	89.7
165.58710	0.3
167.03511	17.6
179.05673	0.5
181.05208	0.4
183.02991	2.7
189.09004	0.3
273.20856	0.6
289.07193	1.2
345.08331	42.8
435.26089	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	493.3542
Annotation	Dendronesterol B
Peak:m/z	Relative Intensity
51.81396	2.2
59.01389	56.9
60.15631	2.5
61.98848	3.3
67.24773	2.3
84.66943	2.2
121.02938	5.1
122.03765	3.0
123.04522	20.8
125.06080	4.9
133.06601	5.1
135.04523	4.3
136.05322	16.1
151.07648	11.3
235.90652	3.0
244.70326	2.5
246.97043	2.5
433.33307	21.5
451.34409	100.0
478.32651	3.3
490.96210	3.2
493.35614	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
57.87595	0.2
59.31379	0.2
61.98840	100.0
68.52048	0.2
71.48898	0.2
72.21658	0.2
76.57496	0.2
91.32659	0.2
96.32384	0.2
151.00418	0.2
163.00331	0.2
172.47728	0.2
187.03943	0.3
227.03539	10.2
228.03851	0.3
229.05119	1.8
255.03018	15.0
256.03787	1.3
257.04630	0.4
264.11511	0.2
284.03311	14.0
285.04068	12.0
304.46460	0.2
431.09897	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	494.225
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17172	0.6
51.86902	0.4
54.59771	0.6
59.01389	7.0
61.98838	100.0
71.92896	0.5
87.04512	1.2
88.44525	0.5
92.10759	1.4
96.96037	0.6
172.91977	0.7
227.03438	0.7
255.03137	0.7
260.16479	0.6
269.17712	1.1
270.17908	1.4
272.18454	1.1
284.41504	0.6
285.04187	1.0
296.06552	0.8
431.09711	1.3
465.31616	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90595	2.1
55.01883	3.6
56.01516	2.1
57.03471	3.3
58.42184	2.1
59.01389	74.7
61.98831	6.7
68.48012	2.3
71.01372	23.7
73.02952	12.0
83.01417	4.1
85.02972	17.5
101.02441	24.5
104.01588	3.1
113.02467	6.4
141.17819	2.5
161.04527	4.6
163.25200	2.4
277.28293	2.9
385.61395	2.8
433.28119	100.0
480.46716	3.2
516.30066	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	493.3541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84793	2.1
55.42268	2.1
56.80416	1.9
59.01395	5.3
61.89622	2.3
108.37550	2.6
115.84888	2.3
123.04533	5.1
135.04501	2.6
136.05287	31.1
137.06108	13.1
149.06100	3.4
164.04805	63.2
164.08514	3.2
165.09236	5.1
218.87823	2.5
451.34457	29.8
465.35678	3.1
493.35422	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.266
Annotation	Unknow
Peak:m/z	Relative Intensity
52.71521	0.9
55.01900	1.0
57.03476	1.8
58.00611	1.0
59.01392	100.0
62.80781	0.9
68.50489	0.8
71.01391	42.4
72.99327	1.6
73.02972	4.0
83.01430	2.5
85.02962	12.3
87.00904	1.4
89.02447	42.5
95.01409	2.3
99.00879	1.6
100.79030	1.0
101.02445	23.7
113.02460	17.8
119.03498	18.4
125.02480	1.4
131.03574	1.4
134.61113	1.0
143.03526	4.6
149.04660	1.3
149.06119	1.9
154.98653	1.1
161.04573	6.4
179.05647	17.1
203.03569	3.5
231.03075	1.1
234.44232	1.0
239.03792	1.5
255.03099	1.5
256.03745	10.0
259.02423	2.2
271.06210	11.9
271.19125	1.4
286.01312	2.3
287.01993	15.3
315.01578	16.3
329.03333	2.0
331.04602	1.3
352.92917	1.1
425.37708	1.3
433.24496	33.6
493.10074	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	493.2667
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	59.4
61.98829	2.6
64.34594	1.1
64.34918	1.2
71.01385	20.2
73.02969	2.3
75.00900	1.3
85.02953	6.0
87.00887	1.7
87.04517	6.9
89.02448	27.6
95.01374	1.4
101.02438	13.4
108.02184	2.0
109.02973	1.8
113.02457	8.8
119.03499	8.7
125.02457	2.2
143.03592	1.3
152.01062	1.5
161.04477	1.5
163.07536	1.1
179.05563	5.5
181.22029	1.2
183.13904	6.3
183.61545	1.1
195.13997	1.6
253.17967	1.6
269.11426	1.1
271.19177	100.0
287.89026	1.3
292.10028	1.4
293.81668	1.1
295.19125	1.1
340.21378	1.3
433.24515	22.6
493.13629	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	493.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00133	0.5
59.01394	7.5
61.98838	0.9
63.59526	0.7
77.46032	0.6
78.95906	4.9
82.48073	0.5
92.13477	0.5
113.08858	0.5
119.05030	1.0
140.01213	0.7
147.04544	100.0
148.04816	0.7
161.02448	1.4
161.96960	0.6
167.55687	0.6
179.03766	0.6
195.13889	2.5
196.03856	0.9
278.22076	1.0
295.22836	3.9
296.23285	5.0
433.45444	0.7
492.27518	1.3
493.27832	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	493.136
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00500	1.0
59.01389	37.7
60.01443	0.9
60.99317	18.3
61.98857	1.2
71.01388	13.9
71.95794	1.0
72.99328	1.5
73.02974	1.7
85.02969	5.7
88.98807	100.0
89.02451	11.7
91.41284	1.1
96.96033	1.5
101.02444	10.5
109.36812	1.2
113.02486	6.8
119.03506	5.2
125.02438	1.3
126.89126	1.0
151.00356	1.1
153.97937	1.3
161.04480	2.2
178.99907	1.9
179.05591	4.6
241.08688	1.7
257.09738	1.3
301.03656	1.4
331.04678	1.3
433.24548	13.2
493.26175	2.6
506.41174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1569
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.9
71.01407	0.9
71.05029	0.5
72.99323	0.4
73.02950	66.8
81.29816	0.3
87.00900	0.9
89.02447	0.4
90.74667	0.3
96.96015	4.7
96.96958	0.6
99.00889	8.8
99.04536	0.9
101.02422	1.7
110.61749	0.3
111.00895	0.4
116.92892	4.3
117.01953	100.0
123.00847	0.4
125.02460	12.6
133.05087	1.6
137.02408	0.5
143.03557	0.6
147.03101	0.4
147.06664	0.8
148.22865	0.4
149.00880	1.4
151.00313	0.7
161.04581	2.6
163.02553	1.4
168.00653	2.2
169.01437	16.4
196.69589	0.5
211.02505	0.5
331.03012	0.8
331.06772	13.0
470.32407	0.4
493.12228	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	493.1725
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66869	1.0
57.03452	1.3
58.00622	1.5
59.01392	100.0
61.98841	37.5
70.67966	1.0
71.01392	36.3
71.01774	1.7
72.99326	2.2
73.02963	2.1
74.30962	1.1
78.50860	1.3
85.02963	10.6
87.00926	1.8
88.98824	2.8
89.02444	49.0
90.20638	1.0
92.51259	1.3
93.03471	2.3
95.01394	3.0
101.02441	23.5
104.07823	1.3
108.02202	1.5
109.02979	6.3
113.02471	15.4
119.03516	18.0
119.05003	2.3
121.02900	1.8
122.03774	1.5
125.02477	1.9
131.03564	1.9
135.04539	1.3
139.19138	1.3
143.03496	2.5
147.04550	1.8
149.04584	1.6
152.03523	5.4
153.03835	2.2
159.04573	1.4
161.04585	6.9
179.05615	9.4
193.04922	1.5
209.09685	1.4
211.07585	2.6
213.50084	1.2
238.06303	1.5
253.08713	44.5
271.15356	1.6
359.15067	1.6
433.15176	5.7
433.24734	10.5
493.23209	1.9
493.30154	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	493.1148
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
50.95042	3.3
58.56883	3.9
58.74541	3.7
59.01390	47.8
61.98838	8.0
71.01411	10.5
71.79715	4.1
85.02965	10.5
87.00900	6.6
90.66054	4.1
107.01432	7.6
121.02997	5.9
123.04543	30.9
125.02447	5.7
133.02898	5.7
146.95917	62.4
149.00893	7.5
149.02493	5.7
151.00391	42.0
188.95108	6.1
190.94868	57.3
209.02577	4.8
214.71577	5.1
243.28850	5.2
249.05763	5.5
281.04611	32.1
301.10916	10.8
307.02658	6.3
331.24908	9.7
333.07611	9.9
357.07669	23.0
361.07227	5.1
377.06741	28.4
387.05118	5.4
389.06735	7.1
401.06610	50.6
419.80975	4.9
429.06100	100.0
430.07016	9.0
433.05646	38.1
433.28406	5.1
443.07651	8.0
444.08496	56.7
445.09607	5.8
448.07803	9.9
463.10434	98.6
475.10263	63.2
493.11584	18.3
493.30032	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.1148
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
52.73537	1.0
57.45654	1.0
59.01397	1.8
61.98841	6.2
65.00333	1.6
78.95936	1.4
96.96043	6.0
107.01412	5.6
117.27842	1.1
133.02969	8.3
150.57092	1.4
151.00356	9.4
183.04457	2.3
187.03947	1.2
209.23396	1.5
227.03589	6.5
254.17809	1.4
255.03015	100.0
256.03809	47.3
282.99319	2.1
283.02493	67.6
284.03275	85.0
284.06409	2.8
285.04089	41.5
475.10388	2.0
493.11328	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	493.1152
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73281	1.0
52.12606	0.9
52.43938	0.9
53.65471	0.9
59.01395	5.4
61.98834	1.3
63.02415	1.4
63.87589	0.9
65.00349	1.0
69.33288	1.0
72.39892	1.1
83.79276	1.3
84.89362	1.0
107.01419	2.3
110.10162	1.1
125.02522	1.5
133.02988	5.2
149.02470	1.2
151.00412	6.2
161.02498	1.3
187.94351	1.3
199.04008	2.0
221.48958	1.1
227.03584	1.8
242.02251	1.3
255.03011	62.0
256.03802	45.2
283.02521	47.6
284.03311	100.0
285.04086	31.3
285.07025	2.1
363.09631	1.2
408.54816	1.4
463.10452	4.5
475.10013	2.3
505.55258	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82826	0.3
59.01105	0.4
59.01387	7.3
60.01720	0.5
61.01798	0.9
61.29774	0.3
61.98835	100.0
71.01395	1.8
73.02953	1.7
85.02949	1.1
87.00877	0.5
89.02459	1.7
90.02769	0.2
92.10786	0.7
101.02402	1.7
102.02810	0.5
103.04011	0.6
113.02486	0.4
115.03989	0.3
119.03448	0.4
125.02429	0.4
143.03481	0.5
163.06102	1.2
164.06500	1.1
165.06552	0.5
168.57285	0.2
169.01430	0.4
206.07494	0.4
228.51077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82826	0.3
59.01105	0.4
59.01387	7.3
60.01720	0.5
61.01798	0.9
61.29774	0.3
61.98835	100.0
71.01395	1.8
73.02953	1.7
85.02949	1.1
87.00877	0.5
89.02459	1.7
90.02769	0.2
92.10786	0.7
101.02402	1.7
102.02810	0.5
103.04011	0.6
113.02486	0.4
115.03989	0.3
119.03448	0.4
125.02429	0.4
143.03481	0.5
163.06102	1.2
164.06500	1.1
165.06552	0.5
168.57285	0.2
169.01430	0.4
206.07494	0.4
228.51077	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80727	0.7
59.01380	1.7
61.98837	2.0
62.30128	0.8
78.95901	10.7
81.48749	0.8
82.13799	0.8
92.10863	2.2
107.74841	1.0
112.23718	0.9
113.09730	1.2
140.01193	4.5
153.07471	1.0
179.14386	1.1
181.12332	1.1
195.13905	23.0
214.04898	3.7
248.79788	0.8
277.21777	18.9
295.22827	100.0
296.23145	1.3
492.27435	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.0552
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37563	0.2
57.03459	2.6
59.01389	3.4
61.98841	0.5
63.34265	0.2
65.86816	0.2
69.03457	2.0
71.01386	1.3
71.74781	0.2
79.01911	0.3
81.03478	1.5
83.01395	0.6
87.00893	0.4
88.98830	2.2
89.02455	1.2
92.10146	0.4
95.01437	0.6
96.96030	0.3
97.02948	2.8
103.00365	0.3
105.03466	0.6
105.04112	0.3
107.01416	1.0
109.02971	1.4
113.02518	0.3
116.92868	3.3
121.02977	0.7
123.00893	1.5
124.01677	0.6
125.02458	80.5
126.96584	0.4
133.02968	0.4
137.02458	2.4
139.04041	1.5
149.00908	0.6
151.04073	0.3
161.02441	5.6
161.04504	0.3
164.01198	0.4
165.01959	1.7
166.99873	0.6
167.03502	2.1
169.01447	100.0
170.01715	0.4
177.05661	0.5
177.21107	0.3
178.00044	0.3
179.03513	1.2
184.35135	0.3
193.01443	1.6
213.09198	0.6
219.06570	1.0
221.04642	0.3
227.03519	0.3
243.06821	0.3
245.93024	0.3
261.07840	0.4
269.04697	0.4
273.11234	0.4
275.05838	0.3
287.05634	1.0
287.15408	0.3
305.06757	4.0
317.10474	0.4
331.04733	0.6
391.80338	0.3
399.97882	0.3
457.07925	6.7
463.36075	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	491.2509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24707	1.6
53.43596	1.9
54.10556	1.8
55.01885	3.5
57.03459	4.8
59.01389	100.0
63.07243	1.7
71.01386	54.3
73.02960	15.5
75.00896	2.1
80.03394	1.8
83.01405	11.7
85.02950	25.7
87.00903	4.6
88.98795	3.3
89.02470	17.4
92.10157	4.9
95.01428	2.7
99.00900	8.0
101.02443	28.7
112.75983	2.0
113.02433	19.6
114.52229	2.4
119.03526	3.5
125.02428	4.5
159.03011	2.8
161.04518	25.2
179.05617	3.1
225.05681	2.4
251.16577	3.2
269.17615	4.5
271.02414	2.4
278.39941	2.4
285.04053	4.8
299.87473	2.3
412.10843	2.1
427.80322	2.2
431.22922	39.2
447.09012	3.3
460.85883	2.2
491.07971	7.6
510.11728	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	491.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09908	2.9
54.13992	3.1
55.00809	2.9
57.39425	2.8
59.01380	4.8
61.96122	2.9
91.77805	3.8
104.84637	3.1
108.93133	3.3
125.02470	20.9
136.05301	4.0
169.53166	3.8
182.01909	3.7
184.28442	3.9
184.86961	3.2
194.57211	3.9
200.13794	3.4
207.88966	4.1
295.26590	41.7
365.30707	23.7
405.33859	17.3
429.33890	40.6
431.31967	4.5
447.34991	33.9
449.33023	18.4
491.33853	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	491.3386
Annotation	Unknow
Peak:m/z	Relative Intensity
64.92191	1.4
77.31622	1.6
88.88237	1.5
99.15512	1.6
122.03744	19.5
123.04510	2.1
136.05305	29.8
137.06088	25.5
150.03250	8.0
164.04819	16.0
165.05583	100.0
178.06268	2.4
193.05087	76.4
225.26787	1.4
468.21268	1.6
483.95297	2.0
491.33792	67.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.339
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86267	9.6
59.01393	40.8
69.98109	9.4
110.91588	10.2
122.03745	11.4
137.06114	53.2
161.57034	11.7
165.05579	87.6
193.05063	20.0
404.18637	11.7
418.86295	12.2
431.31824	20.0
449.32739	41.9
491.33743	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	491.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	29.4
61.98851	5.0
71.01385	3.9
73.02954	1.4
74.60764	0.8
84.94688	0.6
84.95123	5.7
85.02966	1.1
89.02454	2.7
90.99690	0.7
96.96020	1.7
101.02456	1.6
107.89631	0.7
108.02209	1.0
109.02959	1.7
113.02415	1.2
122.03729	3.1
123.04517	1.3
147.04524	4.8
149.09712	0.9
150.03246	96.6
153.01933	5.1
162.03232	18.3
163.04036	1.4
165.05586	100.0
170.23036	0.7
172.16415	0.7
177.05592	24.4
180.04309	10.3
195.06647	51.9
367.47348	0.8
496.56943	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.08885	0.6
54.71442	0.6
57.03469	4.1
59.01394	100.0
61.80520	0.6
63.32274	0.6
66.18732	0.6
69.03469	0.7
71.01401	8.3
73.02979	1.1
73.81156	0.6
83.01408	1.0
85.02981	4.2
87.00887	1.8
87.04521	19.9
87.86887	0.7
89.02472	4.1
94.85542	0.9
101.02472	4.2
108.97864	0.6
113.02468	3.4
115.05910	0.8
119.03525	1.4
125.02460	0.9
125.09766	1.1
127.11384	0.8
135.00932	1.5
149.00981	0.9
171.10284	2.9
173.93503	0.7
184.43010	0.7
201.11365	6.7
269.08185	3.5
269.17612	62.3
293.17682	2.4
293.21030	1.4
311.18951	0.9
311.22391	2.7
329.23438	3.4
389.25620	0.9
491.28732	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1253
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	8.4
66.86536	0.3
71.01392	1.2
72.99308	18.7
73.02602	0.3
73.02944	2.4
75.00883	4.0
82.60323	0.3
87.00883	28.9
89.02452	1.4
99.00885	1.6
103.00378	8.8
105.01967	1.8
109.03008	0.6
113.23931	0.3
130.99879	1.6
131.03508	0.7
135.04527	5.9
142.99904	0.4
149.00928	100.0
149.04547	7.7
161.00940	2.5
178.06505	0.3
179.01979	9.2
179.03516	5.0
185.56320	0.3
242.05878	0.4
250.94395	0.3
271.09760	0.4
318.35623	0.3
359.07950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52921	1.3
59.01384	100.0
71.01393	5.7
72.99324	1.4
83.01385	1.5
85.02962	1.9
87.00876	2.8
101.02473	2.4
113.02505	2.8
121.02947	22.6
135.04507	1.9
137.02451	2.1
149.00896	3.4
158.50938	1.4
161.04573	2.8
269.08286	9.5
299.16666	1.7
488.83398	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	491.1781
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	8.6
57.03465	4.2
57.68485	0.9
58.35581	0.8
59.01390	58.2
61.98828	1.3
63.63434	0.8
68.24444	1.1
69.03444	1.4
71.01386	76.3
72.99316	2.1
73.02948	25.4
75.94838	0.8
83.01389	14.2
85.02962	39.7
85.03458	1.7
87.00889	4.1
89.02462	16.3
92.10161	2.0
95.01382	7.8
96.96026	1.6
97.02945	2.4
99.00894	11.7
100.78492	0.9
101.02451	58.7
102.90571	0.8
113.02464	33.0
113.96702	1.0
119.03532	5.2
125.02457	6.6
135.04550	1.4
136.22182	0.9
138.02002	1.3
143.03500	3.9
145.05038	0.9
159.02988	3.8
161.04581	29.8
173.65804	1.0
179.05656	1.3
269.07681	1.5
269.10385	28.2
426.99490	1.1
431.15640	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2354
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	1.8
57.30820	1.5
57.52806	1.5
59.01394	100.0
61.98844	8.2
67.36751	1.6
69.90730	1.5
71.01061	1.6
71.01402	11.9
71.05018	12.7
79.41035	1.8
85.02954	3.5
85.06590	19.1
87.04507	12.2
88.98871	1.7
89.02457	10.6
91.55062	2.0
92.17412	2.0
94.16181	1.7
96.70029	1.5
101.02461	8.3
102.89060	1.7
113.02455	3.8
118.09426	1.8
119.03493	2.9
123.04556	2.0
123.08209	2.0
125.02444	8.9
135.11850	2.5
137.09726	1.9
147.52443	1.6
149.86848	1.9
151.93123	1.9
153.12807	3.7
155.01480	2.0
179.05502	2.3
189.02036	2.4
223.16937	3.4
267.16049	93.6
267.18942	3.8
268.16333	2.9
313.06058	2.2
341.06671	2.5
509.26883	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15903	1.3
57.03459	6.1
59.01388	100.0
61.98831	2.8
71.01410	9.3
71.05032	3.1
73.02948	3.0
83.01414	1.5
85.02976	1.8
87.00903	1.8
87.04518	16.5
89.02478	10.5
93.03503	1.5
96.96013	2.9
97.06621	2.0
99.04537	6.5
101.02458	3.5
103.45628	1.4
109.02976	2.2
109.92207	1.4
113.02490	6.0
119.03558	2.5
125.02461	18.7
133.03004	1.7
134.03770	3.7
135.08168	1.7
135.11810	11.8
136.86980	1.5
137.02341	1.4
149.00961	1.7
151.04036	2.4
161.04486	1.5
169.01460	6.2
179.05655	2.2
187.14949	1.8
209.11862	2.1
240.97443	1.6
267.16061	60.6
289.07449	3.0
291.15918	3.2
301.04340	1.7
357.10168	1.7
489.27390	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14335	2.6
59.01388	100.0
61.25501	2.6
61.98835	5.6
64.33459	3.1
71.01405	14.6
80.16274	3.7
80.16761	3.3
85.02966	4.5
87.04525	6.4
89.02459	13.4
95.01461	3.0
96.96024	6.8
99.04526	6.5
101.02442	6.2
113.02486	5.5
119.05150	4.2
121.06557	2.8
125.02451	6.2
151.03995	3.1
155.48254	2.9
159.92830	3.1
179.44794	2.8
201.11356	18.2
249.14900	5.8
251.98354	3.1
267.16064	99.2
291.15884	3.6
330.60287	3.3
357.09952	5.8
429.21121	4.3
489.27121	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	489.1981
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11583	1.1
55.01894	3.0
57.03458	2.4
59.01387	100.0
71.01382	53.8
72.99325	1.8
73.02949	22.7
73.03314	1.9
75.00888	1.5
78.71886	1.2
81.74631	1.1
83.01408	15.6
85.02956	33.8
87.00901	5.0
89.02457	8.0
95.01386	5.8
97.02934	2.1
99.00903	6.6
101.02446	45.2
103.04038	1.8
113.02458	21.5
119.03516	2.1
125.02446	4.9
130.59921	1.2
145.05083	1.3
149.00899	2.5
150.38374	1.2
159.02962	2.2
161.04573	15.5
163.06152	2.0
267.16034	15.8
279.66852	1.4
283.08771	2.2
283.11841	42.8
326.00690	1.6
429.17703	80.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85123	3.3
59.01406	5.6
62.04064	3.5
62.53306	3.3
62.70165	3.5
152.01241	4.6
165.12852	22.1
190.55850	3.7
197.02324	7.1
273.18591	5.1
291.19675	100.0
434.36877	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	489.235
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97325	0.4
55.01900	0.5
57.03458	1.9
59.01389	34.8
60.99312	0.4
61.98852	0.4
62.47266	0.3
69.03473	0.7
69.75833	0.4
71.01382	4.7
72.99317	0.7
73.02955	1.0
73.48079	0.4
74.41547	0.3
83.05040	2.4
85.02946	3.3
87.00889	0.8
89.01981	0.4
89.02437	2.8
89.71779	0.4
93.03471	2.1
93.78846	0.3
95.01377	0.4
95.05021	8.3
96.96022	0.9
96.99321	1.4
97.02936	0.6
97.06569	3.1
98.03759	2.5
98.95561	0.8
101.02450	3.1
103.00378	0.7
107.05049	2.3
108.02206	0.7
109.06590	5.0
111.04523	3.1
113.02454	4.1
113.06088	4.7
116.92882	0.9
119.03516	0.6
119.05013	3.7
121.02956	44.0
121.06674	0.4
122.02335	0.5
123.04526	3.0
123.08194	0.4
124.05231	1.7
125.02463	1.8
125.06078	6.3
127.07646	0.5
127.53381	0.4
131.05029	0.5
133.02995	0.5
133.59441	0.4
134.03728	3.1
135.04521	1.8
135.08098	0.6
137.02455	0.4
137.09698	3.9
138.06841	0.6
139.07648	6.6
143.05028	2.7
145.10202	1.0
146.03757	1.0
147.04514	2.5
149.00893	1.0
149.09685	0.4
153.05548	0.5
153.09212	4.3
155.10791	42.8
158.03763	0.6
159.04494	1.6
163.04048	2.9
163.06087	0.7
187.14952	0.6
191.10425	0.4
193.05104	0.9
199.09779	1.7
203.14497	0.7
205.16013	21.6
206.16306	0.5
211.07722	0.8
223.17082	3.3
241.08862	0.6
249.15042	0.6
251.07124	4.5
252.07835	0.9
265.08618	0.6
267.16058	100.0
268.16324	0.6
279.06665	2.0
280.07578	3.5
281.17606	2.3
291.16031	3.0
295.09827	2.8
309.17175	5.0
327.08841	0.7
357.09857	22.0
400.27322	0.4
429.13968	0.7
429.21255	1.8
445.11792	0.4
446.95743	0.4
449.37399	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.1628
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	12.1
61.98843	100.0
62.72672	0.6
71.01396	1.6
74.26837	0.7
78.95950	0.9
87.00866	0.9
96.96014	11.1
119.17287	0.7
137.02515	1.0
145.02989	0.9
145.05052	1.5
163.04074	0.9
219.14211	0.8
255.03076	1.0
434.20035	0.8
471.73904	0.8
494.43549	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.141
Annotation	Dolastatin E
Peak:m/z	Relative Intensity
57.03460	1.2
59.01388	14.1
71.01398	6.0
73.02938	1.4
81.03481	0.8
82.95395	1.3
85.02970	5.3
87.00881	1.4
89.02473	3.6
89.23700	0.7
93.03461	23.6
96.96017	5.3
96.99306	4.6
101.02441	1.5
103.72729	0.8
107.05025	1.0
108.02158	1.5
109.02952	1.3
113.02435	1.8
115.00394	3.8
119.05039	26.3
121.02904	1.4
121.06606	1.0
123.04523	1.6
123.08180	4.0
125.02411	1.3
125.06096	1.4
130.04251	4.8
131.05045	12.4
133.02953	1.1
133.06587	1.4
135.04518	3.9
137.09688	1.0
143.05040	10.7
145.02960	4.4
145.06615	6.7
147.04538	2.0
158.03661	1.2
159.04514	4.7
163.04048	9.9
171.04555	6.5
171.11813	4.4
177.01985	1.2
177.05576	5.3
189.12808	1.0
201.12881	1.2
202.02800	1.0
210.06892	11.7
211.07690	36.2
219.08223	1.1
222.06870	2.0
223.04626	1.3
223.07671	5.6
235.07707	12.7
236.08472	1.2
237.09259	73.6
237.14992	5.6
238.10017	1.9
239.10809	12.2
245.08231	0.9
247.07675	0.9
250.06300	1.2
253.08682	4.0
263.07117	1.9
264.08078	6.2
265.08749	20.1
281.13992	26.1
289.07309	1.9
305.13995	1.1
306.97021	0.8
308.07031	2.0
309.07797	3.5
327.08176	1.0
373.12976	2.0
424.52063	0.9
451.12433	1.5
489.14130	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.1409
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83384	0.4
55.01902	1.5
57.03460	0.4
59.01392	9.5
61.71999	0.3
61.98844	2.0
65.00349	0.7
71.01396	1.5
73.02977	0.6
78.95950	0.4
81.95451	0.4
83.01433	0.6
85.02979	0.4
89.02469	1.4
92.10149	0.5
93.03483	0.6
96.96038	1.8
96.97022	0.4
98.95606	0.7
99.00870	0.4
107.01418	1.6
109.02995	0.4
116.92882	2.0
119.03557	0.4
119.05026	0.6
123.04634	0.4
125.02432	1.8
129.08568	0.4
135.04539	5.4
136.04884	2.0
137.02493	0.4
137.05110	0.6
143.05038	6.2
145.03027	0.4
151.00378	6.2
151.04070	0.4
152.00722	2.5
153.00877	2.5
155.08696	1.6
157.06616	2.8
163.01741	0.4
181.06653	0.5
182.07379	4.5
185.06096	4.9
187.14729	0.5
195.08165	1.6
196.09010	0.8
197.09720	4.0
199.07707	1.6
225.05624	0.9
226.06369	0.5
239.07211	1.5
241.08746	100.0
242.09003	0.4
267.16064	7.6
271.05936	0.4
287.05728	1.3
288.05865	0.5
289.06448	2.0
357.09781	0.8
368.58456	0.4
403.13998	0.5
445.15167	0.4
451.11356	3.9
489.27228	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30613	0.6
51.41639	0.7
55.01868	1.0
57.03453	13.8
59.01387	29.3
68.35034	0.8
69.03458	1.1
71.01388	10.8
72.99311	0.8
73.02945	1.9
75.00898	1.4
83.01395	1.4
83.05038	4.3
85.02972	5.5
89.02452	7.0
95.05018	1.1
96.96001	5.4
96.96996	0.9
97.02965	1.1
97.06599	11.3
99.00912	1.4
101.02464	3.9
107.01398	1.0
107.05065	1.7
108.85568	0.7
109.02987	1.4
109.06609	1.2
111.04530	22.3
113.02457	5.7
114.51372	0.7
119.03538	1.8
121.06588	1.5
123.04531	3.8
125.02466	4.0
125.06104	11.2
131.34662	1.0
135.03024	3.2
135.04630	0.7
135.08148	1.8
138.06862	9.8
139.07668	1.2
145.10233	1.9
147.08182	1.2
149.04507	0.8
151.00371	5.2
151.04091	1.1
151.07675	3.0
153.09225	36.1
153.10466	1.3
161.09679	1.0
163.11362	0.9
165.09229	9.4
177.12874	1.3
179.10738	2.0
192.98096	0.8
203.12741	1.3
203.14467	15.9
221.15459	9.6
233.06752	1.6
247.13380	4.1
265.14496	100.0
285.04205	1.3
289.14432	4.1
293.08865	2.1
307.15701	6.2
325.08557	0.8
378.74286	0.9
427.15585	1.5
449.10532	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	487.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98848	42.6
79.94470	19.0
93.31405	20.2
99.66045	18.7
120.53419	19.1
123.05877	19.3
134.94067	21.5
139.03932	19.9
139.35678	21.1
161.17932	19.4
161.52052	22.8
279.68060	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	487.3061
Annotation	CHEBI:70313
Peak:m/z	Relative Intensity
51.52247	0.7
52.76830	0.7
53.09845	0.8
59.01392	4.0
65.68719	0.9
73.75854	0.9
92.10755	2.4
96.96012	6.0
101.35446	0.8
108.59691	0.8
111.44389	0.9
164.39101	0.9
201.86067	1.2
256.32230	1.1
307.14813	1.0
330.72595	1.0
332.09390	1.0
487.30673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2244
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.5
57.03460	4.8
59.01389	74.7
59.31444	1.0
62.67249	1.0
71.01390	48.1
72.99331	1.1
73.02953	21.4
83.01397	16.1
83.40836	0.9
85.02966	28.2
85.72899	0.8
87.00893	2.0
89.02460	4.8
95.01417	2.4
96.96019	9.1
97.02959	1.8
99.00908	6.9
101.02448	54.4
101.03095	2.0
103.04037	1.3
113.02470	18.4
125.02425	6.1
137.37238	1.0
159.02991	4.8
161.04573	13.6
163.06067	1.4
197.41736	1.1
239.69203	1.1
247.08101	1.5
251.21844	1.0
278.90280	1.0
279.14508	57.2
287.25070	1.0
323.13583	1.1
353.78561	1.0
425.20343	100.0
510.65109	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.0925
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	12.8
61.98850	1.1
66.00799	1.0
71.01385	2.7
76.58313	1.1
84.65451	0.9
89.02469	1.1
96.00970	1.2
96.96010	57.5
98.76978	1.2
98.95591	45.8
98.96426	6.6
99.00900	1.4
99.92583	66.1
100.93370	12.8
113.02451	1.8
114.94942	5.2
115.92078	52.7
116.92862	100.0
117.93628	1.3
125.02464	6.5
126.34753	1.2
126.94946	1.0
133.76096	1.0
139.07700	1.3
139.44414	1.1
141.93651	1.8
142.94423	3.9
145.02965	1.1
158.93922	1.3
167.11888	1.0
168.00623	2.5
170.93875	1.1
174.93352	1.5
177.79945	1.2
180.97115	1.1
195.98308	1.3
221.96344	4.2
237.07402	1.0
248.29218	1.1
279.12366	2.2
297.55276	1.1
309.04382	5.8
438.74771	1.2
451.07150	23.6
469.08243	5.5
487.09219	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1312
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	7.7
58.85456	0.8
59.01396	3.6
71.01406	1.4
73.02969	5.1
75.00887	1.2
78.55841	0.8
83.01405	4.2
87.00884	1.1
89.02453	2.0
92.66045	1.0
99.00886	1.5
101.02441	70.9
115.00383	3.6
127.00350	6.2
133.01424	4.4
145.01431	100.0
165.04037	4.1
179.01805	0.9
180.95258	0.8
188.78770	0.8
189.49490	1.0
200.22952	0.8
205.17773	0.9
207.92989	0.8
295.10361	1.5
329.89133	1.0
334.68182	0.9
420.55890	0.8
423.13809	0.9
487.08395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	4.3
57.03480	12.9
57.69078	2.2
58.07598	1.9
59.01392	37.9
69.03463	3.1
71.01385	20.2
73.02954	4.6
74.78764	2.2
77.20408	2.0
77.66722	2.0
81.33846	1.9
83.01400	7.9
85.02966	18.4
87.00908	4.7
89.02467	13.8
93.26136	2.1
96.96037	4.5
99.00884	2.0
100.68339	2.2
101.02454	12.2
108.02202	2.3
109.02975	10.1
111.00896	11.7
113.02448	32.6
114.39166	2.5
119.03503	2.4
119.05044	14.1
121.02953	2.7
123.00890	3.1
123.04520	14.9
125.02491	3.3
127.00374	3.9
132.02156	5.1
133.02948	9.3
134.03749	16.4
135.04584	11.9
137.02434	3.9
145.02966	15.2
147.02985	2.3
147.04492	2.3
148.01613	2.7
148.05324	84.2
149.02386	3.6
149.06079	14.2
150.03325	4.4
159.04500	4.6
160.01700	35.0
160.05399	3.1
161.02473	22.5
161.06099	8.6
162.03230	2.9
163.04059	13.5
163.07654	100.0
165.01842	2.4
165.05652	2.2
173.06082	11.2
174.03259	11.1
174.06883	8.4
175.04024	82.2
176.04794	12.6
178.06245	2.4
185.06062	4.8
187.03972	18.9
188.04825	20.9
189.05617	11.8
190.06308	5.1
191.07224	4.4
192.04236	3.4
200.04802	12.4
201.05472	15.3
202.06389	12.9
203.03612	11.1
203.07082	15.7
204.07832	3.5
205.05081	3.0
205.08789	3.7
207.06595	10.4
212.04874	4.5
213.05505	2.2
214.06374	8.7
215.07219	4.0
217.05098	10.5
217.08676	2.6
218.05881	9.5
219.10370	5.4
221.08200	12.5
226.56218	2.2
229.05104	4.1
229.08714	4.6
230.05829	23.9
231.06726	4.2
233.08281	20.7
235.06175	11.0
245.08189	52.4
249.07787	11.3
263.09277	50.5
277.07181	32.4
289.07214	39.2
307.08380	14.6
425.14749	29.8
427.12454	9.0
469.13742	28.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23165	0.8
57.03481	0.8
57.28227	0.9
59.01385	16.0
62.65641	1.0
63.65319	0.8
64.34608	1.2
65.00350	5.6
71.01401	2.4
74.72366	1.0
78.95927	6.0
83.01411	5.0
83.05030	1.6
85.02987	2.3
89.02474	1.3
96.96013	85.3
96.96922	8.8
97.02968	4.1
97.06568	1.0
101.02454	1.1
101.11321	1.0
105.07144	1.3
107.01397	10.9
107.05048	2.4
108.05812	3.5
109.02957	4.1
111.04569	4.9
111.08214	1.1
113.02483	5.5
113.06119	5.0
122.03725	2.0
123.04552	5.7
123.08202	4.9
125.02455	13.2
125.06109	13.1
135.04555	4.1
135.08173	1.9
136.05305	6.0
138.06857	9.9
139.07652	16.0
145.06609	1.4
147.08145	1.2
148.05331	4.6
149.02388	1.7
150.03264	8.7
151.00389	36.9
151.04050	11.7
151.07664	40.0
152.01146	8.5
152.04826	5.8
152.08423	17.0
153.01981	1.3
153.09271	8.5
159.11824	1.4
161.04680	1.2
161.09711	5.1
163.07712	6.6
167.07147	1.9
175.03990	1.8
178.99863	8.3
185.09618	1.0
189.05640	5.7
189.09225	1.8
201.12885	21.5
202.10078	1.7
203.10782	9.1
204.11574	28.2
219.13921	44.6
221.01591	1.0
223.97206	1.2
227.03552	15.2
228.11626	1.4
243.13947	5.5
245.11842	13.2
255.02966	20.7
256.03629	4.7
263.12918	100.0
284.03278	22.5
285.04080	31.7
286.04019	1.5
287.12851	10.5
303.05136	8.7
305.14023	10.0
447.09338	24.0
449.10815	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04379	0.1
53.58945	0.1
57.44778	0.1
59.01392	3.4
71.01396	0.7
73.02961	0.2
78.18636	0.1
78.95919	2.1
79.95733	1.5
85.02967	0.2
89.02464	0.8
95.07231	0.2
96.96014	100.0
96.96892	2.8
101.02416	0.4
107.67522	0.2
113.89211	0.2
113.92670	0.2
131.15309	0.2
135.04660	0.2
189.41444	0.1
207.10278	0.4
276.72363	0.2
293.17303	0.2
300.50516	0.2
387.16635	5.1
453.84433	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.0
57.03455	1.2
58.00615	1.0
59.01390	48.0
59.01691	1.9
61.98845	2.3
67.51999	0.9
71.01385	31.5
72.99326	1.4
73.02959	6.2
75.16727	0.9
78.95948	1.2
83.01413	5.9
85.02953	14.6
87.00900	5.1
88.98827	1.1
89.02460	15.8
95.01424	2.0
96.96010	75.5
98.95623	2.4
99.00890	1.7
101.02454	20.7
108.02163	2.4
113.02462	11.9
119.03529	6.3
125.02467	4.4
131.03519	2.5
134.03709	3.7
138.02000	6.0
139.02388	1.3
145.07722	8.2
146.04866	1.7
152.01204	1.8
154.01495	1.9
159.03003	1.3
160.06439	17.1
161.04549	5.8
161.07234	89.5
175.08813	20.3
178.02701	1.0
179.05724	1.8
185.10909	2.0
187.08839	1.7
189.06731	100.0
193.05202	2.6
201.10400	8.0
203.08339	17.7
203.11954	10.3
221.06744	2.0
229.09874	18.7
259.06210	2.3
287.05658	5.7
287.10480	1.4
292.45862	1.0
305.11496	22.3
323.12534	5.4
387.16684	4.5
406.82800	1.1
425.20407	5.9
453.63562	1.1
485.17981	52.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1329
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82825	0.2
59.01382	3.3
62.29731	0.2
71.01379	0.5
78.72905	0.2
78.95900	1.6
79.95351	0.2
79.95718	1.7
85.02978	0.3
89.02453	0.4
96.96006	100.0
97.93100	0.3
101.02427	0.3
107.81882	0.2
109.02911	0.4
113.02345	0.2
114.93349	0.3
118.14835	0.2
119.03468	0.2
123.04510	0.3
130.02356	0.2
150.23213	0.2
174.38850	0.2
200.16658	0.2
207.10277	0.9
250.45726	0.2
288.24619	0.2
370.99911	0.2
387.16696	4.6
392.64307	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60223	0.6
57.03453	1.3
59.01374	5.9
71.01398	4.9
72.00923	0.9
73.02963	1.8
78.95911	1.0
81.03466	1.1
83.01395	1.4
85.02947	6.0
87.00872	1.4
89.02454	1.0
95.01407	2.7
96.96003	16.1
97.02958	1.0
98.95614	3.2
101.02466	3.2
108.02184	100.0
109.02962	28.0
111.00888	2.9
113.02452	4.7
121.02926	1.2
123.00947	1.3
125.02444	30.8
135.04530	1.3
144.03026	1.3
149.00894	0.9
151.04025	0.9
152.01170	75.5
153.01961	23.5
161.04561	1.5
163.02612	0.8
163.04010	1.6
165.01961	1.6
169.01431	30.9
169.02786	1.4
216.08878	1.0
257.39120	0.8
300.25211	0.7
315.07269	95.5
323.13547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2734
Annotation	Ardisiaquinone E
Peak:m/z	Relative Intensity
54.48323	0.4
59.01398	0.6
61.98864	0.6
76.72430	0.5
78.95912	19.6
84.47443	0.4
92.65778	0.5
96.96981	2.2
97.04931	0.5
152.99600	30.4
171.00676	1.2
227.03322	2.5
237.22089	0.6
245.04228	0.8
255.23322	100.0
256.23697	0.9
271.02350	0.7
300.02728	0.5
336.77396	0.5
388.69620	0.6
399.57422	0.6
404.10959	0.5
447.09512	0.7
483.27362	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52244	0.3
54.83208	0.2
62.93587	0.3
65.24108	0.3
66.42954	0.3
74.73562	0.3
78.95904	7.0
96.96948	0.5
113.07271	0.3
136.38556	0.3
150.98030	0.3
152.99603	11.4
171.00648	1.6
227.03275	1.2
228.54422	0.3
245.04269	0.7
255.23326	100.0
279.65845	0.3
483.27383	22.6
494.09525	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74170	1.0
55.01908	4.7
57.03460	2.5
59.01387	82.9
61.98840	1.5
69.03504	1.1
70.10881	0.9
71.01383	42.9
71.01780	1.7
73.02947	22.9
73.92830	1.0
81.39359	1.2
81.78977	1.0
83.01391	19.0
85.02956	31.5
85.03765	1.1
87.00860	2.1
89.02460	7.1
95.01406	2.7
96.96011	2.1
97.02934	1.1
99.00889	6.5
101.02441	46.9
108.02212	2.0
109.02982	1.9
111.00888	1.1
113.02464	20.5
118.70293	1.1
125.02489	1.8
135.04546	2.0
143.03531	1.3
145.05098	1.2
151.00385	2.6
159.03035	4.9
161.04556	15.1
170.73698	1.1
227.69345	1.3
243.02948	1.6
255.02962	2.8
271.02502	6.7
277.16592	62.4
285.03992	1.5
300.02756	12.5
301.03561	9.5
309.00058	1.3
423.22415	100.0
447.09442	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	483.2458
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20190	0.7
55.01888	7.7
57.03462	4.0
59.01389	82.2
59.34693	1.1
59.67451	1.0
61.98857	1.0
63.02426	1.2
65.00339	2.4
69.03471	1.5
71.01391	37.3
73.02953	19.1
82.56889	0.9
83.01399	17.8
85.02962	26.0
86.00118	1.1
87.00885	1.8
88.98819	1.3
89.02471	6.0
92.10725	1.1
92.70844	0.9
95.01400	2.1
96.96021	1.6
97.02941	1.1
99.00899	7.0
101.02448	52.5
103.04038	1.0
107.01405	15.5
109.02969	1.3
111.00896	1.1
113.02461	19.5
119.04968	0.9
121.02951	11.8
125.02439	2.0
143.03485	1.2
151.00383	51.2
151.74855	1.0
159.03011	2.2
161.04594	11.4
168.00714	1.3
169.01538	1.9
178.99876	20.5
193.01340	1.4
260.13901	1.1
271.02496	3.9
273.04047	1.8
277.16583	60.1
300.02744	8.3
301.03580	77.0
302.04044	1.2
337.96323	1.2
423.22476	100.0
447.09427	37.7
448.09784	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	483.2457
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01491	0.5
55.01883	5.8
57.03457	3.8
59.01387	29.4
61.98829	0.7
62.02123	0.5
69.03450	0.7
71.01382	33.8
72.99319	1.5
73.02951	21.3
78.95905	1.1
82.95396	0.6
83.01396	9.3
85.02955	20.8
86.00069	0.7
86.97488	0.7
87.00885	3.1
89.02445	6.2
92.66365	0.6
95.01390	4.2
97.02950	2.6
99.00868	6.5
101.02446	35.6
111.00919	1.2
113.02448	16.1
115.98138	0.6
125.02467	1.3
131.03526	1.2
137.02592	0.8
143.03529	0.9
151.00320	0.7
152.99603	3.1
159.03008	2.6
161.04562	10.0
208.77063	0.6
233.06613	0.7
271.02527	0.8
291.18188	30.3
300.02655	2.7
301.03656	0.8
346.60953	0.6
423.22452	100.0
424.22769	1.2
437.24191	1.1
447.09442	1.4
459.19348	0.7
501.46942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2012
Annotation	Verrucarin J
Peak:m/z	Relative Intensity
57.03462	4.9
59.01395	29.4
61.98838	2.7
62.49217	3.0
71.01387	20.1
73.02951	6.0
73.51965	2.7
73.52447	2.9
78.31184	3.0
78.95907	26.8
81.03436	3.6
83.01382	6.4
85.02956	20.2
86.14898	2.8
96.96009	24.2
101.02448	15.4
109.02959	4.9
123.04530	5.2
137.02472	3.7
152.99599	36.6
156.53020	3.5
161.04509	4.6
197.66858	3.3
203.07162	5.8
211.13455	3.7
271.02527	4.4
276.75345	3.3
289.07117	14.0
291.18066	3.9
300.02753	14.6
301.03488	6.3
315.18225	4.2
376.27698	4.0
379.05511	3.4
419.82700	3.6
423.22473	19.3
447.09222	20.3
447.22458	28.0
465.17905	6.4
483.19824	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	483.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00607	1.2
59.01388	100.0
71.01380	20.0
72.99319	1.7
73.02946	33.2
85.02964	14.8
87.00896	7.6
87.04538	2.6
87.34561	1.2
89.02438	19.2
93.10168	1.4
96.96011	50.7
97.57095	1.3
101.02446	35.1
103.04020	13.4
113.02525	3.0
115.04044	6.1
119.03513	7.2
125.02426	2.0
131.03497	10.2
132.21902	1.4
143.03539	11.2
145.05116	3.2
163.06142	45.6
196.26218	1.5
205.07185	14.5
205.46307	1.6
217.53600	1.4
223.04642	7.9
260.64178	1.5
265.09439	7.3
277.12933	2.3
395.03998	1.7
423.18866	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	483.2459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	9.0
55.51435	0.8
55.62107	0.9
57.03470	3.8
57.05058	0.8
59.01387	89.2
61.98836	1.9
71.01383	43.9
72.28303	0.9
72.99317	1.6
73.02952	18.0
79.38356	0.9
83.01392	17.7
85.02946	27.3
86.00097	1.1
87.00906	1.5
88.24670	1.0
89.02431	7.9
92.10137	1.3
95.01404	2.2
96.96046	1.1
97.02949	1.8
99.00857	7.4
101.02443	53.4
108.02215	1.2
111.00873	1.3
113.02460	23.7
116.78159	0.9
119.03536	1.2
125.02426	1.8
143.03606	1.2
145.05136	1.2
151.00398	2.4
159.03018	3.9
161.04567	14.6
173.85808	1.1
255.03053	5.3
271.02557	8.3
277.16599	60.4
300.02805	12.2
301.03525	11.2
423.22443	100.0
424.22635	1.4
445.07977	1.2
447.09451	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	483.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25510	5.0
54.65356	5.3
55.01905	6.6
59.01383	76.0
59.01596	4.4
60.49927	4.8
61.98840	11.3
65.00391	5.1
65.29731	6.9
71.01398	26.0
73.99019	6.1
75.78027	6.2
83.01445	6.5
85.02983	11.7
96.96006	13.7
101.02451	26.9
121.02979	9.8
125.02440	6.4
151.00360	49.9
151.86031	5.9
158.11075	5.8
161.04556	5.6
174.16095	6.2
178.99962	9.4
255.02925	9.1
271.02518	29.8
277.16562	31.6
285.11313	12.3
300.02689	48.1
301.03595	100.0
423.22440	22.9
447.09439	89.1
483.13434	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
56.74363	0.1
57.03449	0.1
57.58816	0.1
59.01390	1.0
62.65464	0.2
65.94956	0.1
71.01396	0.5
78.95915	5.0
79.09840	0.1
79.95754	1.9
80.91695	0.7
83.01375	0.2
85.02983	0.2
92.10068	0.1
96.96017	100.0
96.96914	8.4
97.02965	0.2
101.02445	0.2
113.02460	0.3
117.39061	0.1
125.02428	0.2
139.04022	0.3
161.83740	0.2
181.35162	0.2
194.79362	0.1
198.85864	0.2
210.06641	0.2
235.12025	0.1
251.09056	0.1
257.38687	0.1
273.11438	0.2
413.92444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20314	0.1
57.03458	0.2
57.71206	0.1
59.01390	0.3
59.74437	0.1
61.76362	0.1
71.01379	0.2
71.36237	0.2
78.95905	6.7
79.95737	1.5
85.02947	0.2
96.96014	100.0
96.96914	10.1
109.02962	0.2
111.00871	0.3
123.04575	0.2
147.32062	0.2
159.99265	0.1
189.05527	0.2
380.86136	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	0.9
55.36173	0.8
57.03447	1.1
59.01389	12.0
61.98835	2.3
68.99819	1.8
71.01373	9.5
72.99312	1.4
73.02968	1.3
76.67731	0.8
78.95922	1.4
82.45438	0.9
83.01392	12.1
85.02509	0.9
85.02943	8.7
87.00880	7.6
88.98799	10.3
89.02464	5.3
93.03453	12.7
96.86501	0.9
96.96008	38.8
96.96956	3.4
99.00890	2.0
101.02451	4.1
107.05059	1.0
109.02982	1.6
111.00881	1.6
113.02463	5.7
115.00375	8.4
117.03472	6.4
119.05027	22.6
121.02948	1.1
121.06605	1.2
123.04552	2.2
125.02468	1.3
131.05011	4.0
133.02939	3.9
133.06618	6.6
134.03781	1.2
135.04599	1.3
137.02492	1.7
143.05067	4.0
145.02977	17.0
145.06624	1.7
147.04532	26.6
149.06088	21.1
157.06544	1.5
158.03836	1.2
159.04454	1.6
161.02414	1.5
161.06111	11.9
163.03949	2.3
165.05597	7.6
169.06590	1.4
171.04524	4.8
173.00819	1.0
173.06079	4.1
174.03244	1.7
175.02473	13.3
175.03912	3.5
177.05585	36.6
184.05090	1.1
185.06071	4.4
187.04033	1.8
187.07626	1.5
189.05600	9.3
191.03642	1.4
193.05109	8.2
197.06059	3.9
199.04054	6.9
201.05618	6.4
203.03595	1.5
203.07135	4.5
205.05112	1.9
213.05589	4.6
215.07135	5.0
217.05075	36.5
219.06683	8.2
221.04587	100.0
227.07416	1.0
229.05077	4.1
231.06610	1.5
233.08136	2.3
241.05051	6.1
255.06764	7.9
259.06036	8.1
261.04105	35.1
267.06613	1.0
273.07739	7.0
277.07233	8.4
319.08215	9.0
321.06216	18.2
337.07629	2.1
347.63077	1.0
439.12231	3.5
483.11456	2.2
497.00354	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06981	0.6
56.46792	0.6
57.03439	0.9
58.69812	0.6
59.01388	3.6
59.84492	0.8
64.52264	0.7
70.80742	0.8
72.96142	0.8
73.02921	0.8
73.81380	0.8
74.42141	0.6
83.04976	0.7
84.08840	0.7
85.02974	1.0
86.35696	0.7
88.65955	0.8
93.03439	0.9
96.96022	3.9
101.02467	1.2
107.01382	1.2
125.02457	1.1
128.35789	0.8
132.02155	1.0
149.99712	1.3
151.00377	3.3
153.01917	1.2
163.00336	1.3
168.00699	1.1
172.23930	0.8
174.03246	0.9
194.41069	0.8
227.03539	64.8
229.05042	1.8
245.64996	0.8
255.03017	80.3
256.03766	8.1
257.04535	1.1
284.03290	99.8
285.04083	27.1
423.26361	1.4
447.09399	100.0
483.15118	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	2.4
57.03448	1.5
59.01384	24.0
61.98847	5.4
66.71894	1.1
67.01874	1.3
69.03473	2.5
71.01383	15.0
72.99283	2.1
73.02957	2.4
77.58098	1.2
83.01405	2.2
85.02960	8.7
87.00874	3.1
88.17408	1.5
89.02438	9.1
95.01373	2.2
96.96018	19.7
97.02927	2.1
101.02447	7.5
107.01408	15.5
110.00083	2.3
111.00906	11.2
113.02454	3.2
116.92866	26.6
117.03464	1.6
119.03481	1.7
122.06177	2.6
123.00903	11.1
123.04533	1.7
124.01696	5.9
125.02459	67.1
127.00385	2.1
128.60774	1.7
133.54558	1.3
136.98799	8.9
139.00391	20.1
140.01170	19.8
141.01927	1.9
149.00941	1.8
151.00398	3.2
153.01970	13.3
154.02702	13.9
155.03529	2.1
163.04016	1.6
163.06393	6.1
167.10677	1.7
168.00684	11.8
169.01448	64.2
169.05063	3.3
172.69183	1.3
183.03053	5.7
241.03362	1.9
261.00909	2.0
297.06226	8.9
313.05624	12.1
326.12573	1.9
422.21280	6.3
423.21616	8.2
483.11481	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	483.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11193	0.8
53.89061	0.6
58.38278	0.8
61.33559	0.7
63.02398	1.0
65.00336	1.5
72.03262	0.8
81.21994	0.9
94.19642	0.8
107.01380	6.4
109.02966	4.1
121.02978	3.7
148.01640	1.0
149.02397	0.8
151.00377	22.1
154.21983	0.9
163.00331	5.6
164.01175	1.2
178.99854	9.2
183.04518	1.2
201.05608	1.5
211.03996	1.4
221.50911	1.0
226.02831	1.2
227.03493	4.8
239.03531	1.0
243.03008	12.1
245.04509	4.1
254.02151	1.8
255.02994	34.7
271.02518	62.3
272.03320	1.3
283.02368	1.7
299.02039	1.3
300.02768	100.0
301.03555	62.3
446.50620	0.9
447.09393	97.2
464.52585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82592	0.3
51.99214	0.3
52.65003	0.2
59.01390	2.6
61.98853	0.6
64.99811	0.3
65.00334	0.5
71.01404	1.4
73.02943	0.3
82.52785	0.3
83.01404	0.6
85.02975	0.4
92.10072	0.6
96.96011	8.4
97.68711	0.4
97.82746	0.3
101.02431	0.8
107.01409	2.1
113.02458	0.5
120.25727	0.3
120.71751	0.3
121.02977	0.4
123.00703	0.3
124.01680	0.4
124.07651	2.3
125.02464	1.3
131.05040	0.3
133.02943	8.3
136.03999	0.4
137.04753	0.6
149.02419	2.3
151.00366	7.2
157.77754	0.3
169.03801	0.4
175.04015	3.1
178.99800	0.6
197.06050	0.5
199.04042	2.6
201.01808	0.5
212.60521	0.3
213.05605	0.7
215.03395	0.4
217.05090	1.9
241.05179	1.4
243.02994	2.3
255.02942	2.6
256.03745	2.5
261.12460	6.0
267.02884	0.3
271.02560	4.9
271.05542	0.5
277.16663	0.6
284.03271	3.9
285.04071	100.0
286.04324	1.2
300.02808	6.8
301.03638	4.4
370.62769	0.4
423.17300	0.3
423.22339	1.2
447.09393	39.4
448.09634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33546	0.4
52.52957	0.4
53.14724	0.4
55.01899	1.2
57.03455	10.2
59.01379	4.8
62.34412	0.4
65.30853	0.5
70.00779	0.5
71.01380	6.2
72.99335	2.6
73.02970	0.7
75.00890	2.9
78.95918	1.1
79.95725	0.5
83.01385	6.5
84.02193	0.7
85.02953	49.3
87.00898	4.1
96.82860	0.5
96.96003	27.4
96.96953	0.9
99.00884	0.8
101.02446	6.6
103.00393	0.7
103.04001	1.0
105.02151	0.4
111.00886	26.3
119.04430	0.5
129.01945	17.7
135.04530	9.9
143.03529	0.8
147.03004	2.7
149.00948	4.7
161.02480	1.2
161.04527	2.2
179.03551	5.1
187.02417	2.8
205.01608	0.7
205.03564	29.8
223.04633	100.0
224.04953	0.7
333.04547	0.8
336.98416	0.6
385.07861	5.1
483.06134	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	481.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
54.49706	0.9
58.35017	1.0
59.91620	0.9
67.20665	1.1
78.95910	63.4
92.10774	5.4
96.96962	5.8
113.38885	1.2
134.35661	1.2
137.58116	1.1
152.40167	1.1
152.99597	88.9
154.16490	1.1
171.00665	29.4
245.04335	100.0
253.21754	56.4
259.91690	1.2
282.30878	1.3
419.45386	1.3
481.25818	53.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.354
Annotation	Certonardosterol B4
Peak:m/z	Relative Intensity
60.48761	3.5
64.05585	3.6
65.47359	3.9
68.04060	4.6
92.10081	7.8
95.05073	25.2
96.15541	4.2
97.06588	85.8
113.38442	4.2
115.07687	31.3
141.05598	5.4
159.06686	20.1
196.50977	4.9
241.47552	4.3
280.74762	4.9
425.71051	4.4
481.35486	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	482.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14138	0.3
57.03453	0.9
59.01394	2.0
61.98840	2.2
67.74721	0.3
71.01376	0.5
81.18262	0.4
83.01389	0.4
83.61474	0.3
85.02951	4.6
89.02444	0.5
96.96020	2.5
99.92454	0.4
101.02435	0.5
102.02798	0.4
103.36385	0.4
111.00880	1.7
112.01258	0.4
121.02978	0.4
122.03743	6.5
129.01942	1.6
129.34264	0.4
152.03551	100.0
161.35735	0.4
195.72305	0.4
205.03600	0.5
219.34654	0.4
223.04642	4.5
224.04973	2.3
482.10385	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	481.2298
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54517	0.6
55.27782	0.9
57.03485	0.8
59.01387	100.0
69.36296	0.7
71.01382	12.3
72.99319	1.9
73.02963	0.9
73.10478	0.7
74.83167	0.8
75.58707	0.8
76.50665	0.8
78.95918	4.8
80.63747	0.8
85.02963	5.8
87.00903	1.3
89.02451	17.0
95.01382	1.5
96.96014	69.2
96.96950	11.0
101.02450	8.8
103.26232	0.8
111.00880	0.9
113.02456	5.5
119.03516	5.8
123.08167	1.5
129.01936	1.3
143.03529	1.1
147.04553	2.0
149.00923	1.2
149.04539	1.0
161.04550	1.3
164.07173	4.0
165.01945	1.0
165.04085	0.8
166.14392	0.8
179.05605	6.2
255.05397	0.9
273.79227	0.9
388.02289	0.9
421.20877	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	481.2088
Annotation	Excavatolide M
Peak:m/z	Relative Intensity
55.01898	7.3
57.03466	12.1
59.01391	85.2
61.98843	6.1
64.34827	0.7
67.01913	0.8
71.01394	27.3
72.99322	1.8
73.02953	11.2
75.00871	1.1
78.95919	6.7
83.01412	14.4
84.02191	1.2
85.02966	50.5
87.00893	1.5
89.02461	4.4
89.08844	0.7
95.01389	1.7
99.00897	3.1
101.02457	21.4
108.02195	9.7
109.02985	1.4
111.00887	19.5
113.02471	8.3
120.88499	0.8
125.02402	1.5
129.01958	16.9
133.02916	1.3
134.03729	4.0
137.02432	0.8
152.01109	1.0
152.99594	8.4
159.03046	1.1
159.04482	0.8
161.02347	0.7
161.04559	3.8
173.00838	1.5
205.03555	9.9
214.49397	0.8
223.04640	7.3
259.13406	52.4
280.49078	0.8
289.16489	1.6
339.06622	0.8
421.18701	100.0
463.16437	0.8
481.17166	3.2
481.22842	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.23
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.0
57.36231	0.9
58.00610	1.5
59.01387	95.8
61.98836	1.6
66.23390	0.9
70.01112	0.8
71.01385	34.0
72.60955	0.9
72.99306	1.0
73.02957	8.6
74.44053	0.9
75.00865	9.4
80.05091	0.8
85.02961	9.6
85.31208	0.9
87.00896	4.3
89.02445	35.1
90.85338	0.8
95.01408	1.6
97.02933	1.8
101.02444	17.9
109.02953	1.8
111.04528	2.4
112.05289	1.9
113.02455	15.9
113.06093	2.3
115.07657	4.8
116.92895	2.2
119.03487	13.1
121.02921	1.8
125.02424	1.7
125.06080	1.5
134.07408	2.2
135.04555	9.0
137.02460	0.9
137.06140	0.9
137.09715	1.9
141.09209	1.0
147.04575	1.4
149.09734	37.2
151.03979	1.3
153.09253	1.5
161.04550	4.8
165.05568	1.5
167.07187	7.4
167.10794	47.0
169.08707	6.6
179.05609	6.5
205.12439	1.7
207.10213	4.0
225.11382	2.3
237.17917	1.0
241.14439	1.9
259.09711	2.3
259.15564	12.1
265.31531	1.0
283.16330	1.2
319.45956	1.3
371.10217	1.4
387.28821	1.3
421.20905	100.0
422.21359	1.9
481.13602	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	481.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	7.0
57.03452	20.1
59.01102	1.5
59.01384	20.8
63.46944	0.9
64.38908	0.9
71.01380	12.8
72.99306	1.7
73.02947	2.3
75.00870	4.0
81.97253	0.9
83.01384	9.7
85.02951	85.7
87.00879	5.7
89.02422	1.8
92.10144	1.1
96.96016	12.0
101.02428	12.4
103.03996	1.2
111.00149	1.7
111.00884	42.3
118.16600	1.0
119.04989	1.2
125.02444	2.0
129.01944	32.3
131.06985	1.1
147.03003	5.5
161.04610	1.7
172.05232	1.0
187.02388	2.1
187.07620	6.4
205.03555	36.7
213.09154	1.3
217.01468	1.0
223.04625	100.0
231.10341	1.6
245.00909	1.1
257.08292	1.8
259.09888	1.4
273.00293	1.9
275.09494	1.3
302.78055	1.0
304.08395	1.0
429.95844	1.1
469.36810	1.3
481.26431	6.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1352
Annotation	Rubinaphthin C
Peak:m/z	Relative Intensity
50.92390	0.5
52.44104	0.5
55.01896	4.0
57.03456	16.7
59.01386	9.1
67.01900	0.6
68.99802	0.8
71.01377	6.9
72.99330	1.1
73.02959	1.6
75.00867	4.5
83.01389	9.4
84.02156	1.3
85.02950	67.7
87.00883	2.9
88.01701	0.6
89.02412	0.7
90.64350	0.6
91.31003	0.5
99.00883	0.9
101.02463	8.8
103.00405	0.9
103.04064	1.6
109.03046	0.6
111.00891	35.6
114.39435	0.8
125.02418	1.0
129.01941	25.6
147.03004	4.0
159.77242	0.7
161.04567	2.6
172.05315	1.4
187.02464	3.0
187.07666	7.8
205.01611	1.0
205.03563	36.8
223.04620	100.0
231.10364	1.4
232.03116	0.7
257.08389	0.8
263.78186	0.7
275.09427	0.9
309.11823	0.7
389.62955	0.6
395.87323	0.7
481.26831	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22319	0.6
55.01883	1.2
55.23819	0.6
57.03447	8.1
59.01384	8.6
59.01634	0.7
59.20627	0.6
61.98834	6.9
63.90872	0.6
65.37862	0.6
66.76032	0.6
71.01370	5.9
73.02954	3.0
75.00806	0.7
83.01396	3.9
85.02954	26.1
88.98781	1.2
89.02474	0.8
90.19021	0.7
101.02442	5.8
103.47668	1.0
109.02944	0.7
111.00891	15.7
121.02934	1.1
123.04646	0.8
129.01961	9.4
145.91652	0.7
161.04556	1.4
165.09636	0.9
173.00954	1.2
173.02393	1.3
188.04793	4.2
189.50096	0.8
201.01929	3.2
202.02725	15.3
203.03516	1.8
205.03528	9.9
216.04271	11.2
217.05087	27.3
218.05861	1.4
223.04626	24.5
231.06647	1.6
244.03723	4.5
245.04576	41.9
249.07750	1.1
257.05493	0.8
257.08066	1.1
259.06134	100.0
260.06888	27.8
274.08514	19.9
275.05914	1.3
275.09268	14.7
285.03699	1.7
303.05112	1.5
318.07468	34.6
319.07886	1.4
404.62595	1.0
418.08826	3.2
421.20792	6.7
481.13559	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0994
Annotation	Ampelopsin 3'-glucoside
Peak:m/z	Relative Intensity
51.23901	1.5
55.22147	1.3
56.23144	1.5
57.03452	19.2
59.01384	26.9
61.98845	1.7
65.00333	1.9
71.01387	9.6
71.05018	1.7
72.99316	3.2
73.02966	1.6
73.55021	1.5
83.01377	7.0
85.02947	6.7
85.32852	1.8
87.00883	2.6
89.02454	9.2
91.01949	1.6
93.03507	1.8
96.95996	2.0
101.02455	3.9
107.01387	9.7
109.02962	8.3
113.02455	3.1
121.02955	3.8
123.00883	8.7
124.01649	8.9
125.02445	100.0
137.02415	15.8
139.04039	7.7
140.29866	1.9
141.09187	3.5
143.10794	2.5
149.02429	3.5
151.00381	32.2
152.01140	10.1
153.01955	21.5
161.02438	1.9
163.00375	2.2
163.04034	2.4
164.01137	2.5
165.01932	26.9
166.02773	2.8
167.03532	22.8
169.01399	2.2
175.00348	3.4
177.01930	1.9
178.99875	29.7
187.04034	3.7
191.03487	11.0
192.00708	2.9
193.01436	72.9
215.03481	2.2
227.03546	2.7
232.03844	2.5
233.04503	8.2
255.02939	12.6
257.04401	3.1
259.15384	3.2
273.04086	1.9
275.05676	6.2
278.40814	1.8
283.02530	23.3
300.02628	2.4
301.03534	8.8
301.07007	2.7
324.09180	1.7
327.06918	3.0
353.08911	2.2
355.06723	22.1
380.46686	1.9
421.20886	29.2
453.10571	2.1
463.08960	43.7
481.09805	47.2
481.17377	2.4
481.18753	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	481.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	10.6
57.52548	0.9
59.01388	20.0
61.98861	1.3
63.02419	1.2
65.00349	1.4
71.01387	7.7
71.05025	7.0
72.21858	0.9
72.99331	1.2
73.02953	1.5
75.00906	1.6
78.91917	5.3
81.03483	0.9
83.01411	6.4
85.02974	5.3
86.06273	1.0
88.98816	1.1
89.02462	5.3
94.98102	5.4
95.05048	4.3
96.95976	1.5
97.02939	17.0
99.04504	2.0
101.02451	4.2
107.01397	4.8
108.02201	1.8
109.02957	8.9
113.02443	1.4
114.45500	1.0
119.03528	1.2
119.05118	1.0
121.02969	2.1
121.76817	0.9
123.00884	4.1
123.04588	1.2
124.01677	5.4
125.02440	45.9
137.02473	9.9
139.04019	100.0
147.04494	1.0
149.02464	1.6
151.00385	13.5
152.01147	6.8
153.01984	14.0
153.05542	1.1
163.00418	1.4
163.04039	4.5
165.01952	21.2
167.03545	11.0
169.01440	2.3
175.00401	1.1
175.04031	1.5
177.01956	1.0
178.99879	12.7
183.03067	5.8
190.02791	1.2
191.03560	6.2
192.00641	1.2
193.01436	34.4
201.05716	1.1
205.05081	1.3
211.03990	1.3
215.03476	1.8
231.06644	5.7
233.04599	3.7
255.03032	4.9
256.03729	1.0
257.04541	2.3
259.15552	5.2
275.05624	4.1
283.02542	10.4
289.09879	1.2
301.03610	2.2
319.11154	1.1
327.07251	1.7
345.08371	39.9
355.06836	9.9
421.20871	13.3
421.40659	1.2
463.08920	19.8
481.09753	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	3.2
59.01393	15.1
65.00363	4.3
71.01404	3.8
73.02958	1.3
83.01399	6.4
84.95143	1.2
85.02944	6.4
89.02480	1.2
92.10069	1.3
93.03496	0.9
95.01406	1.2
96.96028	1.2
101.02467	3.3
107.01387	6.4
109.02969	1.4
109.29126	0.7
111.00943	1.2
115.05574	0.8
121.02997	1.3
125.02475	7.5
133.02931	1.9
135.04532	4.9
136.05379	1.1
137.06038	1.4
143.05013	1.6
143.07117	1.1
145.02919	1.1
147.04547	1.2
151.00372	19.0
151.07634	1.4
152.01221	0.9
155.05070	5.8
157.02995	1.0
157.06612	0.9
159.04546	5.1
161.02464	22.6
161.06064	0.9
171.04573	3.0
175.04027	7.4
177.01970	4.3
177.05554	3.5
179.07156	1.5
181.05176	1.0
183.04553	6.0
185.02460	7.9
187.00449	1.7
187.03995	1.9
199.04051	20.2
201.02020	6.3
201.05652	3.2
203.03534	7.6
214.87689	0.8
215.03525	9.1
217.05019	1.7
223.04652	4.2
227.03514	20.6
229.01459	3.7
229.05067	1.5
230.02188	1.3
243.03015	43.7
245.04553	4.3
255.03021	4.2
259.09872	1.3
259.15427	0.9
271.02518	47.4
272.02872	1.2
272.15918	0.9
273.04099	25.5
299.02023	100.0
300.02377	1.3
319.11777	7.1
463.08957	15.1
481.09979	5.5
481.26624	13.9
492.95248	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.2505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67746	1.1
54.83059	1.2
55.01902	1.2
57.03471	1.8
58.00595	1.3
59.01388	47.9
59.78268	1.4
61.98832	1.8
64.24805	1.6
67.65559	1.3
71.01395	21.7
73.02941	5.2
76.58572	1.1
82.83291	1.3
83.01410	2.5
85.02952	10.4
87.00856	1.7
89.02446	15.1
95.01322	2.1
95.13443	1.2
99.00885	1.7
99.08151	2.1
101.02444	15.0
108.02194	2.2
109.02965	6.6
113.02460	7.1
119.03535	3.0
119.05039	2.6
121.02955	1.5
122.03784	2.9
123.04523	7.6
124.01646	2.4
135.04532	19.2
137.02490	1.7
137.06090	5.3
167.03471	2.5
172.81320	1.6
206.44130	1.6
221.60242	1.4
223.27914	1.3
239.16560	14.7
255.19763	14.2
257.17618	42.0
273.11343	40.2
289.12024	6.7
299.09122	5.0
317.10464	5.7
333.11063	2.6
346.49905	1.5
371.16605	1.5
417.25037	5.5
419.23022	33.4
435.29886	1.9
461.23883	3.0
479.15768	13.6
479.25085	100.0
479.31702	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	480.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97673	0.8
59.01388	12.0
60.80880	0.8
60.88670	0.9
61.98837	100.0
71.01377	1.2
73.02934	1.1
76.29234	0.9
79.10043	1.0
85.03034	1.0
99.79832	1.0
162.92802	0.9
184.03549	1.1
308.85477	1.0
419.33942	2.2
420.33853	1.6
493.09448	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3103
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
54.54889	2.4
61.98840	4.1
63.50019	2.4
63.50362	2.6
78.95914	20.0
100.70062	2.8
115.37804	2.6
121.61796	2.7
157.29623	2.6
186.31752	2.9
196.03755	4.6
242.03224	3.1
283.26453	100.0
480.31027	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	481.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	9.0
59.01657	0.6
59.54553	0.4
60.91975	0.4
64.02656	0.4
64.34684	0.6
64.74430	0.4
68.21499	0.4
71.01391	0.9
72.99307	19.2
73.02947	1.8
75.00893	0.7
78.95923	1.5
85.02946	0.4
87.00876	30.1
96.96005	7.7
96.96958	1.0
99.04451	0.4
100.59254	0.5
103.00378	7.3
105.01935	2.3
117.01951	3.0
123.00821	0.5
125.02454	9.2
129.01854	0.5
130.99899	1.1
133.05099	1.8
147.06667	0.5
149.00928	100.0
151.00375	1.7
168.00597	2.1
169.01436	12.1
199.18459	0.4
222.37691	0.4
331.06750	9.8
389.78363	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1933
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87724	1.4
54.64951	1.6
54.74285	1.6
55.01889	6.5
57.03466	2.2
59.01388	77.7
61.98844	8.2
61.99150	1.8
67.96210	1.8
71.01392	27.5
73.02959	7.6
78.95916	2.3
83.01408	8.5
85.02938	15.0
87.00882	2.9
89.02456	7.5
99.00871	7.5
101.02441	21.3
113.02470	9.7
123.42076	1.9
124.42044	2.1
125.02427	2.0
125.09705	2.2
133.57362	1.9
137.02496	2.5
152.99562	2.5
161.04572	3.6
166.08749	2.0
173.06108	3.2
177.05550	2.7
181.12312	6.6
188.97717	2.0
199.13408	10.1
201.05617	2.8
207.10278	12.2
219.06651	3.5
225.11368	20.7
225.99657	1.9
228.01813	1.8
257.11877	57.1
408.58865	2.4
419.11789	3.3
419.17221	100.0
479.21259	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	479.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84377	0.9
57.03460	2.7
57.68647	1.0
59.01396	7.6
71.01383	1.7
77.69769	1.7
83.05045	2.9
87.00899	7.1
88.98828	2.4
95.05029	1.3
96.96012	17.2
111.04527	1.9
121.06583	2.8
123.08174	14.3
132.05539	1.3
139.07704	1.7
149.09651	1.3
159.96953	1.1
171.11810	19.1
186.56705	1.4
189.12885	4.6
197.02301	1.3
201.12863	5.2
207.13925	2.7
219.13832	1.7
237.14972	19.5
281.13983	100.0
479.16855	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	479.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.43802	4.2
58.66734	4.2
61.98833	9.9
66.29823	5.1
108.02211	6.3
129.36940	5.3
134.03725	87.6
149.06090	40.8
179.01807	6.8
208.25993	6.1
212.04800	22.2
225.05603	68.6
226.06435	6.0
227.03545	7.4
239.03452	30.9
240.04288	11.4
241.04921	12.4
243.06534	7.0
253.05087	10.9
254.05928	10.1
255.06696	42.8
269.08249	12.5
271.06232	19.7
301.10934	88.7
315.12408	12.4
329.10446	100.0
343.11966	25.5
350.63281	6.6
410.68616	6.9
479.17020	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.35205	0.8
52.59295	0.9
53.17202	0.8
57.25689	1.0
59.01386	100.0
59.20182	1.0
71.01383	5.8
72.99315	1.4
76.58054	1.1
85.02966	1.9
85.06589	1.5
87.00880	2.3
88.98801	6.7
89.02443	4.7
93.03441	1.9
96.96017	5.1
101.02424	1.8
103.00392	1.5
107.05042	4.5
113.02418	1.2
115.00339	1.3
116.92897	1.4
119.05012	14.7
122.03751	3.7
125.02454	2.2
133.01427	2.2
133.06628	2.2
135.04500	1.6
149.00920	6.4
149.02576	1.1
149.06075	6.5
150.03227	2.5
152.97791	1.1
153.01944	15.2
153.05569	5.7
161.04596	2.1
161.06134	1.0
163.04037	20.1
165.01909	1.3
168.04286	29.0
177.05537	7.0
179.03510	14.4
179.05026	1.1
179.05585	1.0
183.06633	93.0
184.06958	1.2
189.07687	1.4
217.60992	1.2
225.25438	1.1
229.08813	1.4
239.05646	28.2
281.14075	11.7
287.54095	1.2
295.04688	1.8
363.85757	1.2
378.76099	1.1
383.48325	1.2
479.11514	1.6
479.17368	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	479.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97474	0.9
59.01388	89.7
59.62521	0.9
61.98846	4.1
62.27689	0.9
67.01904	1.4
68.99825	1.2
69.03461	2.4
71.01416	2.0
76.91234	0.9
78.95921	1.9
80.58965	0.9
81.03471	13.5
84.11644	1.1
87.00894	6.0
95.01364	1.4
101.02470	1.4
107.01405	8.6
108.02190	5.3
114.52967	1.2
114.87730	1.0
118.70930	1.1
123.00878	4.7
124.01669	1.3
125.02476	2.1
136.01682	2.4
137.02477	1.1
140.67169	1.2
151.00392	23.7
152.99567	1.2
163.07654	1.2
173.06104	2.4
175.62605	1.1
185.37622	1.2
189.09132	1.1
191.07175	1.7
197.98601	1.0
199.18549	1.0
202.42043	1.0
215.07036	1.5
217.08720	1.5
219.06578	1.3
242.05890	67.4
257.08221	100.0
276.70706	1.2
356.25476	1.1
479.19427	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	479.1567
Annotation	Paeonin B
Peak:m/z	Relative Intensity
59.01389	21.8
61.98838	2.3
71.01395	1.7
72.68119	0.9
72.99319	1.9
77.88272	0.9
85.02983	2.0
85.07723	0.9
87.00880	2.4
88.98824	1.2
89.02432	1.7
95.01388	6.0
101.02427	1.8
108.02163	1.9
109.02949	1.9
111.00869	2.5
113.02467	1.2
121.02934	7.5
123.00885	9.7
123.04550	1.1
124.01665	52.0
125.02421	4.8
134.03749	24.6
135.04535	13.8
137.02440	12.1
139.04013	15.4
149.02490	1.6
149.06096	21.3
151.00392	22.6
152.01166	38.5
153.01933	4.1
154.79570	1.2
165.01945	21.0
166.02747	17.1
166.64908	1.2
167.03517	100.0
179.03506	2.5
180.04272	5.7
181.05090	28.5
193.05005	1.5
207.10161	1.1
252.67987	1.1
257.08243	2.0
257.17590	1.7
285.07794	1.5
301.07199	7.5
302.08020	1.5
316.09506	6.0
317.10345	53.5
329.08734	5.7
372.84744	1.4
425.21991	1.0
479.15610	41.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1567
Annotation	Paeonin B
Peak:m/z	Relative Intensity
50.91473	0.8
57.03460	0.8
58.82732	0.8
59.01391	23.1
61.98824	1.5
67.61842	0.7
68.94466	0.8
71.01389	8.9
83.01400	1.8
85.02963	3.7
87.00909	1.2
88.98798	1.9
89.02433	7.1
95.01394	2.0
95.05061	1.1
96.96001	4.8
97.02963	6.1
99.00948	1.1
101.02472	4.1
106.31608	0.8
107.01381	1.1
108.02189	28.2
108.95845	0.9
109.02960	5.7
109.06597	4.6
111.00908	3.9
111.04530	7.7
113.02472	1.9
119.03512	1.9
121.02966	4.3
122.03748	5.0
123.00892	25.5
123.04529	21.6
124.01682	18.4
125.02450	6.0
125.44379	0.9
135.04524	3.9
137.02344	3.0
138.03265	1.1
139.04036	1.1
147.00969	2.2
148.01697	4.3
149.02452	2.1
150.03226	1.5
151.00371	4.7
151.04048	11.5
152.04796	4.2
153.05563	5.4
154.01482	0.9
161.02531	0.9
162.03221	5.4
163.04036	9.5
177.02020	1.9
178.02777	1.0
178.99803	1.3
179.03516	3.5
180.04292	1.8
193.05038	1.3
196.14699	0.8
201.05670	1.3
204.04301	2.2
208.65477	1.1
219.06622	1.6
229.05031	1.1
232.09427	1.0
234.08951	1.3
241.85524	1.1
249.11345	1.9
256.03815	1.0
257.04617	4.2
257.08188	1.8
258.09000	3.8
271.06201	1.2
272.06967	23.7
273.11301	1.7
284.06952	1.0
287.09308	58.9
288.09500	1.5
289.07278	4.9
299.09354	4.7
317.07065	4.0
317.10352	100.0
341.10303	1.9
345.14536	1.4
419.19296	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01398	1.7
77.57153	0.4
83.01383	0.6
88.98814	0.5
102.84541	0.4
108.02175	7.0
109.02971	0.8
121.02917	0.9
122.03767	8.4
123.04516	5.0
124.01685	1.9
125.02457	0.9
133.03030	0.5
134.03761	0.9
136.01683	1.7
136.05304	0.5
137.02444	30.3
138.03226	14.5
139.04042	3.3
148.01627	0.4
149.02487	2.9
150.03249	6.0
151.04016	9.8
152.04816	5.2
153.05576	5.4
154.02666	0.7
162.03175	0.6
163.00365	2.4
163.04097	0.6
164.01166	20.8
164.04836	0.8
165.01938	13.8
165.05513	3.6
166.02652	0.6
167.03503	0.9
177.01897	0.8
177.05470	0.4
178.02766	5.7
179.03505	20.9
180.04265	3.0
181.05074	4.4
193.05077	2.3
195.47623	0.4
201.05618	0.4
203.81857	0.4
204.04280	0.7
219.06673	0.4
219.11478	0.4
226.06351	0.5
269.04651	3.5
270.05273	0.8
284.06894	2.0
299.09235	1.8
302.07996	5.1
316.27423	0.4
317.10339	100.0
318.10751	1.7
479.15393	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0837
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72256	0.3
54.32426	0.2
57.03458	0.5
59.01383	6.1
59.01639	0.3
65.00349	1.3
71.01395	2.5
72.99333	1.0
73.02962	0.3
75.70818	0.3
81.03481	0.6
83.01399	0.7
83.99794	0.3
85.02974	1.7
88.98856	1.2
89.02452	1.3
95.01390	0.6
96.96050	1.5
99.04552	0.4
100.02765	0.2
101.02473	1.5
107.01394	2.9
108.74293	0.3
109.02975	1.2
111.00979	0.4
113.02486	0.5
119.03529	0.4
123.00849	0.3
124.01661	5.2
125.02485	2.7
125.03307	0.3
135.00919	1.1
136.01678	0.6
137.02449	3.2
147.00894	1.5
148.01718	1.7
151.00381	8.4
152.01157	2.0
161.02435	0.4
162.03256	1.8
163.00365	2.3
164.01210	3.2
165.01941	0.4
167.03477	3.2
169.01480	0.6
171.04567	0.4
175.04013	0.4
177.01941	0.3
178.99861	6.9
192.00655	0.5
193.01456	0.5
197.04703	0.5
199.04103	0.5
203.03546	0.7
204.04416	1.1
213.01991	0.3
214.02737	10.9
215.03679	1.1
227.03592	1.7
229.01407	0.4
231.02953	0.5
232.03720	1.0
241.01445	0.5
242.02261	7.8
243.03006	5.4
257.13995	1.4
259.02512	10.5
269.04654	0.4
270.01746	8.7
271.02533	54.1
272.03049	0.5
287.02023	30.0
288.02554	2.1
299.02048	1.2
299.09299	4.0
316.02289	100.0
317.03055	11.3
317.19711	0.5
391.79623	0.3
441.17593	0.4
479.08392	57.8
479.24756	7.0
480.08670	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.0839
Annotation	SCHEMBL1707783
Peak:m/z	Relative Intensity
58.41206	1.0
59.01383	11.2
59.93158	1.0
63.02406	5.2
65.00332	5.4
71.01404	2.6
72.99323	1.3
76.58099	1.0
78.06403	1.2
80.49301	1.1
83.01391	8.9
85.02962	6.3
89.02453	2.0
89.42323	1.2
97.02951	1.7
99.00859	2.2
101.02432	1.7
107.01395	18.3
109.02986	10.5
111.00856	2.4
120.52019	1.0
123.04554	1.4
124.01641	1.5
124.35948	1.1
125.02434	8.0
127.44478	1.1
129.01952	1.6
136.01646	5.0
137.02458	29.3
151.00386	61.4
151.03932	1.7
152.01187	9.7
163.00343	6.5
164.01141	4.9
165.01932	1.8
165.93315	1.2
168.00591	1.8
169.01433	11.0
171.20123	1.7
178.98398	2.3
178.99884	53.7
181.12369	1.2
192.00636	2.2
193.01373	2.2
207.10251	5.6
223.04576	2.9
225.11342	6.9
232.03629	1.9
243.03156	1.5
243.12320	4.8
271.02689	8.5
287.01953	4.6
289.07367	1.9
315.98773	1.9
316.02280	29.1
317.03067	85.7
318.03491	1.6
357.26572	1.5
359.11362	1.8
373.12723	1.4
393.16974	1.2
406.79724	1.2
419.17136	4.8
435.29459	2.7
441.08347	1.9
479.08365	100.0
479.21185	10.5
479.32349	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.3
59.01385	100.0
60.01740	1.6
61.01820	1.2
61.98837	6.4
69.79178	0.9
71.01380	23.3
72.99280	1.0
73.02972	6.2
83.01413	4.3
85.02962	10.9
88.98810	1.1
89.02436	10.6
89.47948	1.0
95.01391	1.5
100.13649	1.2
101.02437	15.2
111.00867	1.4
113.02471	7.9
119.03512	4.1
125.02483	2.0
159.03046	1.3
161.04552	12.5
163.44397	1.1
168.69865	1.3
179.05550	1.4
187.43317	1.1
196.85272	1.0
247.99532	1.0
303.53976	1.1
417.24942	47.0
494.07498	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.359
Annotation	Clathriol
Peak:m/z	Relative Intensity
53.90211	4.8
59.01386	11.8
85.32456	4.1
91.79060	4.5
93.54448	4.3
103.87257	5.3
135.08211	6.0
136.05356	42.8
148.70688	5.3
149.06126	19.0
150.06879	33.5
151.07646	11.3
161.06067	11.0
163.07683	50.4
164.04843	25.4
166.34117	4.6
177.05559	5.5
179.07152	30.8
216.11702	5.6
225.68468	4.8
444.32492	29.1
459.34903	100.0
477.35886	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.3
55.75283	0.2
59.01393	22.8
60.01730	1.6
61.98843	100.0
71.01391	5.3
72.01690	0.3
73.02947	0.5
83.01423	0.4
85.02975	1.7
87.00870	0.4
88.83290	0.2
89.02457	5.5
90.02814	0.3
92.86340	0.3
101.02449	3.3
102.02828	0.3
113.02448	2.2
114.52090	0.3
119.03507	2.2
120.03864	0.2
161.04543	1.7
166.06348	0.3
168.00124	0.3
176.67181	0.2
179.05638	1.6
184.38672	0.3
185.04379	0.3
255.10205	0.4
255.19554	0.5
256.20010	0.4
417.25055	3.8
418.25354	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	478.157
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17757	0.1
53.48452	0.1
59.01384	1.8
60.01721	0.2
61.98836	100.0
67.18227	0.1
71.01385	1.5
73.01809	0.2
73.02931	0.7
77.12927	0.2
83.01384	0.3
85.02943	0.6
87.03400	0.2
88.98809	0.2
90.49854	0.2
99.00886	0.2
101.02409	1.2
103.02918	0.2
113.02456	0.7
122.56693	0.2
139.83797	0.2
161.04639	0.2
162.22757	0.2
171.80437	0.2
199.13969	0.2
245.37672	0.2
269.10370	0.4
270.10675	0.3
271.10892	0.3
272.11206	0.3
287.19571	0.2
299.02002	0.2
416.16772	0.2
417.16687	0.7
418.17014	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2349
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70808	0.6
53.29393	0.7
58.00597	0.7
58.57828	0.6
59.01386	100.0
60.99331	1.3
61.98835	1.2
65.04464	0.6
69.03468	0.8
71.01381	32.4
71.72287	0.7
72.99297	7.7
73.02958	1.3
77.82378	0.9
83.01398	1.8
85.02958	5.3
87.00864	1.3
88.98815	9.0
89.02442	46.3
95.01402	1.3
96.96022	4.2
97.02940	0.9
99.00922	1.2
101.02431	15.3
108.02180	5.1
111.00903	1.0
113.02455	10.4
116.92852	0.9
119.03508	12.8
121.02962	1.0
123.04537	3.7
125.02445	4.6
131.03542	1.5
143.03473	3.2
144.01981	0.8
149.04555	1.8
161.04599	4.1
165.05560	0.9
179.05635	18.4
233.06659	1.5
246.57707	0.8
287.02069	1.1
293.08838	7.5
315.45657	0.9
417.13745	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65695	0.8
57.03458	1.2
59.01386	100.0
67.42572	0.9
71.01370	9.9
71.03087	0.8
73.02936	1.5
74.26122	0.8
85.02955	7.0
87.00893	1.6
88.98814	1.2
89.02445	3.9
92.10094	2.1
101.02431	7.3
108.77528	0.9
113.02464	2.4
122.71893	1.0
125.78848	0.9
161.04565	7.3
179.05537	1.2
255.02994	1.3
268.48248	1.0
285.04074	1.7
417.24969	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	477.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	0.8
57.79383	0.4
59.01386	87.5
60.01750	0.4
71.01379	9.9
73.02929	4.0
83.01424	0.8
85.02959	4.6
88.98822	0.6
89.02468	1.1
92.10130	0.6
95.01408	0.7
99.00899	0.8
101.02470	5.1
102.97910	0.5
113.02482	2.7
119.03528	0.9
121.02953	14.3
123.26211	0.5
133.05054	2.6
135.04445	1.3
138.02002	1.0
156.13159	0.5
157.05089	0.9
159.02959	0.6
161.04559	10.4
166.06358	100.0
167.06660	0.8
181.08719	82.1
182.09003	0.9
201.03264	0.5
235.08269	9.4
274.95541	0.6
299.22812	0.6
389.50070	0.6
417.17688	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	477.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
56.14217	0.9
57.03451	1.3
58.00625	1.1
59.01384	16.7
65.03971	5.1
67.01906	2.3
71.01381	9.6
73.02956	1.7
83.01394	1.4
85.02976	7.5
89.02462	5.0
91.01939	0.9
95.01434	1.4
96.96001	10.6
101.02444	10.2
109.02960	56.4
113.02470	5.8
115.04047	1.4
125.02439	2.7
134.89587	1.1
135.00859	12.7
136.30681	1.3
146.80154	1.2
148.64528	1.2
153.01949	100.0
161.04614	2.3
175.06107	1.6
477.12509	34.1
477.18768	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56657	0.5
51.82796	0.3
57.03468	0.4
59.01388	7.1
60.99002	0.7
60.99316	19.6
62.01590	0.3
66.03172	0.3
71.01369	0.8
74.89691	0.4
76.57191	0.4
83.32883	0.4
88.98808	100.0
89.02438	0.5
92.10107	0.4
101.02412	0.7
111.50564	0.4
139.07623	1.8
149.00980	0.4
190.85393	0.4
201.86166	0.4
207.10358	0.5
279.12445	3.0
287.02216	0.5
372.97275	0.5
387.16724	8.6
465.94260	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73997	1.0
58.00614	1.0
59.01385	86.5
60.99326	1.2
61.60408	1.2
61.98841	1.6
64.95640	1.0
71.01374	2.2
72.68201	1.0
72.99313	21.8
75.00864	2.1
83.01381	1.1
85.02970	1.9
87.00873	47.9
87.01366	2.3
88.98818	5.9
89.02448	1.3
91.05637	1.1
93.03443	6.4
94.31519	1.0
101.02443	2.5
103.00378	10.4
105.01968	1.1
107.01382	2.1
109.02942	9.9
113.02492	1.5
119.05025	4.8
121.02940	2.3
123.04527	5.9
125.02444	12.8
130.99838	2.7
131.07198	1.1
135.04533	2.0
137.02435	2.5
137.86855	1.3
149.00928	100.0
149.06073	2.9
151.00356	8.0
151.04019	2.5
161.02364	1.8
163.00468	1.4
169.06601	2.7
171.08215	1.3
178.95860	1.2
178.99843	2.1
179.03525	2.3
182.07385	14.1
183.08118	2.0
183.10326	1.6
187.04068	2.0
195.08112	1.6
197.09750	73.0
198.10445	1.7
203.07121	1.9
211.11339	5.9
213.09262	1.9
213.12921	14.6
213.14737	2.2
227.10823	2.7
239.10963	1.3
245.04541	1.4
245.08167	6.1
245.11855	1.8
255.03117	1.7
257.11856	11.6
271.06262	1.7
287.01941	2.0
289.07294	13.5
301.03598	27.1
301.10852	84.3
310.58636	1.4
315.10880	8.0
317.10443	1.4
345.09763	25.4
417.25589	1.5
441.08310	10.9
477.10245	4.8
477.16177	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1065
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
59.01385	66.6
60.01726	2.1
61.98848	1.4
71.01394	10.1
72.99329	1.1
73.02959	1.3
83.01370	1.2
85.02972	4.8
89.02450	7.6
89.02959	0.9
95.01423	1.3
98.14666	1.0
101.02480	4.4
113.02460	4.7
119.03522	2.0
125.02444	1.9
151.00357	1.2
153.87328	1.0
199.04103	1.2
211.04131	1.1
227.03546	2.3
243.02974	7.3
246.19826	1.1
255.03008	21.3
255.06761	2.4
271.02512	45.5
299.02124	12.4
300.02795	100.0
315.01563	2.3
315.05154	52.3
390.67545	1.1
417.24884	6.9
477.10464	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	476.2148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26064	0.3
52.85753	0.3
59.01393	2.6
61.98837	100.0
72.66796	0.3
84.10155	0.3
88.83287	0.3
93.03506	0.4
97.17210	0.3
156.39986	0.3
164.13766	0.3
203.65086	0.4
224.27969	0.4
384.87619	0.4
491.92459	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.279
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
54.82817	0.5
60.17794	0.5
61.08982	0.5
61.98833	0.7
73.13637	0.5
78.95907	100.0
92.10063	2.0
92.77090	0.6
96.96966	8.7
145.85664	0.6
152.98357	0.6
152.99614	15.9
171.00667	18.3
239.14876	0.6
402.24341	1.3
476.27954	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2788
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
55.45411	0.9
61.98839	1.3
72.35646	0.8
72.42498	0.8
73.37346	0.9
74.75327	0.8
78.95901	21.1
89.55469	1.0
92.66430	1.1
120.15671	1.0
122.00096	1.2
134.19659	1.2
140.01222	9.0
143.34410	1.0
143.91512	1.1
152.99586	1.3
196.03844	7.9
214.04889	2.2
248.92828	0.9
271.53088	1.2
279.23346	100.0
351.74387	1.1
388.25531	0.9
476.27963	30.5
476.34723	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.279
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05616	0.9
58.99539	0.9
59.01405	0.8
61.98850	4.2
70.34284	0.8
78.95937	5.2
132.23506	0.9
140.01224	1.2
214.04813	1.5
279.23331	100.0
410.24481	1.1
423.30731	1.2
476.28012	9.9
493.85358	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49347	0.6
65.00331	1.3
70.92095	0.7
73.13201	0.8
80.02790	0.7
83.01379	1.1
92.10757	1.0
107.01395	4.3
113.11854	0.7
119.01376	0.8
124.01624	1.0
125.02420	1.2
127.58948	0.7
135.00847	1.0
136.01640	1.0
143.04939	1.0
151.00383	16.0
163.00380	5.6
164.01158	1.3
171.04547	3.7
175.03975	0.9
178.99850	7.7
187.03976	5.9
193.56001	0.8
199.04083	8.3
201.01952	3.6
203.03511	15.5
214.02692	3.1
215.03528	13.5
227.03474	3.8
231.02980	11.6
242.02147	9.3
243.03004	44.1
255.03021	1.1
257.04669	8.1
258.01675	1.1
259.02499	26.1
270.01718	12.6
271.02521	62.4
272.03134	0.9
285.04086	13.6
286.01105	1.0
286.04831	3.1
287.02014	48.9
288.02628	1.1
288.80063	0.8
298.01169	1.3
299.02032	4.6
300.02728	0.9
313.03513	1.0
314.01151	0.8
314.04370	25.0
315.01541	80.6
316.02313	27.1
330.03876	78.3
331.04651	72.5
332.05069	1.0
477.10464	100.0
478.10989	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	0.6
57.03461	1.5
59.01385	100.0
61.98828	0.7
66.17138	0.3
71.01378	10.1
73.02949	2.2
77.20167	0.3
80.15423	0.4
83.01404	0.6
85.02941	3.7
89.02438	7.7
99.00895	0.6
101.02433	5.5
113.02438	4.4
119.03481	3.1
137.56509	0.4
139.40259	0.3
141.13640	0.4
143.03481	0.6
149.00978	0.5
161.04578	5.0
179.03407	0.6
179.05615	2.7
253.14537	0.6
255.03023	0.8
255.10175	0.7
283.02460	1.5
312.02911	0.9
343.08356	0.5
345.19305	3.2
415.23453	10.4
475.08755	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	475.3433
Annotation	2,3-diepi-25-Methyldolichosterone
Peak:m/z	Relative Intensity
52.63167	1.3
92.10854	4.8
92.66147	1.8
103.46541	1.4
135.08182	2.3
149.06160	2.6
150.06862	7.2
162.06920	15.8
163.07657	100.0
176.08374	2.8
177.09210	6.7
188.62520	1.7
227.39883	1.7
255.10214	3.0
265.25351	2.5
297.24371	3.4
311.25821	2.7
331.45480	1.6
414.31631	2.6
457.33160	6.5
475.29190	3.7
475.34390	71.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.255
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.5
57.03447	1.0
59.01384	100.0
61.98820	0.5
66.14384	0.4
66.68645	0.4
71.01376	15.2
73.02943	4.4
73.50333	0.4
77.42775	0.4
79.98253	0.5
83.01405	1.8
85.02956	6.6
87.00883	0.9
88.98802	0.7
89.02442	9.5
92.66010	0.5
99.00885	1.0
101.02433	9.9
107.77598	0.5
108.02203	0.5
113.02444	6.4
119.03513	3.8
125.02454	2.2
135.04518	0.5
143.03542	0.6
146.69025	0.5
159.02948	0.5
161.04567	5.8
161.05771	0.7
179.05609	2.2
235.92323	0.5
253.14452	0.8
255.10211	0.9
415.23459	24.0
416.24142	0.5
475.18631	0.6
475.24655	0.8
475.29666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.2556
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61413	0.4
55.01897	0.4
57.03442	0.3
59.01386	100.0
61.98830	0.5
64.13128	0.4
65.05437	0.4
68.07339	0.4
71.01389	6.4
73.02939	1.1
73.45256	0.4
83.01386	0.8
85.02965	2.9
87.00894	1.8
88.98795	0.7
89.02444	3.2
95.01418	0.4
99.00877	0.6
101.02444	5.1
109.02986	0.6
113.02446	3.2
113.28041	0.4
119.03502	1.0
131.03476	0.4
135.04517	0.9
161.04581	4.8
179.05597	0.9
255.10185	1.8
308.85425	0.5
343.08197	0.6
345.19064	3.1
367.33298	0.5
383.75360	0.5
415.23529	7.7
475.29016	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.16190	1.9
57.60817	1.9
59.01384	72.1
61.98833	2.2
62.31382	2.0
71.01381	19.3
73.02946	2.6
79.03280	2.1
80.19913	1.9
83.01414	2.8
85.02981	8.3
87.00825	2.6
88.98811	7.1
89.02461	11.3
92.93333	2.2
95.01376	4.2
101.02428	18.2
107.93751	2.1
113.02463	9.1
119.03513	2.4
125.02419	2.2
135.04549	3.3
161.04581	4.6
177.12866	10.1
183.13939	7.6
195.13934	100.0
219.42929	2.2
227.10727	8.2
239.12907	4.7
255.10399	4.1
286.23087	2.8
339.53833	2.2
415.23392	18.4
445.65945	2.1
475.21964	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
55.75367	0.9
58.00599	1.5
59.01386	89.8
61.98841	7.4
63.69597	0.9
71.01383	51.3
72.99320	1.9
73.02948	21.8
83.01368	1.3
85.02960	7.4
87.00900	1.4
88.98810	8.6
89.02450	100.0
92.10776	1.7
99.00878	29.7
101.02444	31.2
107.61623	1.0
110.77767	1.1
113.02470	8.1
119.03497	6.7
125.02430	2.1
129.34703	1.1
130.85252	1.2
131.03506	10.3
144.40361	1.1
149.03357	1.7
149.04553	40.6
161.21812	1.0
179.05577	1.8
191.05627	12.2
221.06703	2.1
251.07721	7.2
311.09558	1.2
415.11099	2.2
415.16217	42.4
473.57150	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43379	0.3
55.01891	0.3
59.01391	13.4
61.98837	4.0
66.58592	0.3
67.36225	0.3
71.01391	4.9
73.02976	0.7
82.08071	0.3
83.01411	0.5
85.02964	2.8
87.00874	0.5
89.02466	2.2
93.03471	0.8
95.01389	0.3
99.00861	0.3
101.02452	3.1
106.04251	10.5
108.02195	3.3
109.02977	2.2
113.02447	2.1
117.03483	0.7
119.03487	0.5
121.02941	1.4
122.03734	1.8
132.02190	0.5
134.03685	0.5
135.04523	1.6
138.03236	0.5
146.03699	0.5
147.04546	4.3
149.02444	1.4
160.01262	0.3
161.04559	3.0
179.03497	0.5
179.05479	0.4
206.21994	0.3
252.16830	0.4
253.08720	100.0
254.09079	1.3
255.10287	1.6
257.04630	1.2
271.09958	0.4
284.03152	0.4
285.04099	1.6
295.25818	0.3
299.05795	0.4
313.03943	0.5
328.05957	1.3
343.08316	1.2
399.13068	0.3
415.13995	5.4
415.22833	2.4
475.12558	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1825
Annotation	Unknow
Peak:m/z	Relative Intensity
55.32428	0.3
59.01384	7.0
60.99311	15.7
61.82962	0.3
71.01375	1.8
72.99325	1.3
85.02975	0.6
87.00875	1.5
88.98806	100.0
89.02448	4.7
96.96004	1.4
98.97621	0.3
101.02405	0.5
113.02406	0.4
115.00240	0.3
119.03458	0.3
135.04492	1.2
137.02437	0.6
149.00919	0.6
163.07663	0.6
179.03442	0.6
255.10323	0.5
372.16519	0.4
457.16931	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1307
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35785	0.2
65.63911	0.3
71.01382	20.9
72.99310	4.3
76.82838	0.3
77.99297	0.3
79.50227	0.3
87.00868	0.6
89.02451	2.8
96.41721	0.3
99.49496	0.3
102.64179	0.3
115.00374	61.4
133.01433	100.0
134.01747	0.4
377.37662	0.3
388.48141	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24597	0.5
54.83240	0.5
55.01896	0.5
59.01387	28.7
60.99344	0.9
66.26610	0.6
68.10969	0.6
68.99846	0.7
69.03476	3.6
71.01385	19.5
71.05032	3.3
72.99322	1.0
73.02957	7.5
79.40963	0.5
81.03479	1.4
83.01404	3.4
85.02955	9.4
87.00899	2.3
87.04487	0.7
88.98807	6.2
89.02444	10.3
92.66555	0.6
95.01392	3.8
97.02946	4.5
99.00884	3.6
99.04510	6.6
101.02440	13.7
107.01421	3.4
109.03001	2.5
113.02446	7.1
115.04018	2.5
115.07671	0.7
117.05585	7.7
119.03508	0.9
123.00888	11.4
124.01666	26.8
125.02447	82.3
126.02738	0.8
131.03511	3.0
135.04535	1.0
136.01678	1.2
137.02466	7.5
143.03560	0.9
149.04543	4.8
149.64227	0.6
149.99602	45.0
151.00397	6.4
151.04051	0.7
161.04524	4.9
161.08199	11.4
167.03500	1.5
168.00652	72.5
169.01453	8.6
173.67723	0.7
179.03529	0.8
191.05630	0.8
269.06870	1.0
269.10355	6.4
283.11996	2.8
313.05722	11.9
331.06760	3.0
384.29718	0.8
415.16205	26.7
415.22446	0.9
415.24011	0.7
431.11865	0.9
475.14679	100.0
476.14853	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3125
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10960	2.2
56.40728	1.8
57.37758	2.7
61.67303	2.0
64.23653	2.0
79.62279	2.3
81.53585	2.2
92.10167	6.8
112.12173	2.4
120.79562	2.2
168.16438	2.3
180.60434	2.4
205.16194	2.5
279.23349	100.0
283.51700	2.6
362.10281	2.3
387.27618	2.6
392.84137	2.9
439.42416	2.5
443.89658	3.1
474.47479	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	474.2634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17744	0.9
54.28816	1.1
54.82391	1.0
57.15575	1.1
57.48648	1.1
59.01392	6.4
61.98859	2.0
70.46684	1.2
77.22224	1.4
78.95905	25.4
84.17706	1.1
140.01251	8.1
152.99582	1.3
180.66833	1.3
196.03795	13.3
214.05011	1.3
250.84831	1.3
270.82870	1.4
277.21768	100.0
469.14871	1.2
474.26389	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	474.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09890	0.1
59.01387	1.4
71.01397	0.3
77.57654	0.1
78.95898	8.5
84.53127	0.2
107.35100	0.2
122.00128	0.3
127.07658	0.3
140.01204	2.7
152.99539	0.3
168.47769	0.2
196.03751	1.4
214.04881	3.0
233.22815	0.4
252.79121	0.2
259.20685	0.9
275.20120	0.4
277.21765	100.0
278.22040	1.4
474.26349	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	474.2631
Annotation	Unknow
Peak:m/z	Relative Intensity
54.74511	0.2
58.81634	0.3
59.01385	4.9
61.08552	0.3
61.98825	0.5
64.89227	0.3
78.95907	100.0
92.10117	1.1
93.02911	0.3
94.33083	0.4
96.96962	9.7
103.65723	0.3
140.01204	0.4
152.99602	13.6
170.99202	0.7
171.00644	17.8
255.10175	0.4
258.15283	0.3
267.64584	0.3
330.76031	0.4
400.22531	1.3
411.12790	0.4
473.20953	0.4
474.26324	44.6
475.27081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61357	0.2
52.22353	0.2
54.82933	0.2
57.03449	0.2
59.01395	98.0
59.83056	0.2
62.21966	0.2
63.53854	0.2
63.72548	0.2
66.02723	0.2
71.01398	2.2
77.86524	0.2
81.31082	0.2
83.83415	0.2
85.02968	1.0
88.14215	0.2
89.02466	1.1
92.10210	0.3
95.01381	0.3
101.02452	1.2
113.02454	2.1
119.03517	0.9
161.04538	1.2
161.46832	0.2
191.14453	1.1
221.06802	0.3
251.16551	100.0
252.16882	1.0
260.94385	0.2
265.18170	2.1
293.17560	1.9
314.18759	0.3
323.18774	0.5
365.30823	0.3
413.21820	2.7
473.23776	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2399
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46501	0.6
57.03449	1.0
59.01384	100.0
61.98844	1.8
66.54147	0.7
71.01385	1.3
72.23297	0.7
80.63206	0.8
80.73177	0.7
89.02454	0.9
101.02425	1.2
113.02470	0.9
134.03743	0.8
136.66685	0.9
137.02536	1.0
155.97977	0.8
207.17598	1.0
251.16547	54.4
253.08496	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	473.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98983	2.7
59.01386	100.0
61.98845	12.3
71.01382	12.9
86.71970	2.9
88.92062	4.1
89.02448	6.5
90.41641	3.0
91.48129	3.2
94.80714	3.5
101.02431	4.6
121.02953	3.5
135.04495	3.6
251.16554	33.8
305.24496	4.1
325.22903	3.8
413.21838	14.0
473.21902	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	473.2185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81518	0.2
51.16642	0.2
52.79931	0.2
59.01392	100.0
61.53018	0.2
61.98847	0.4
78.95914	0.6
92.76173	0.3
114.91811	0.3
154.87128	0.3
157.12331	4.0
158.12625	0.4
340.29477	0.3
353.49545	0.3
357.45682	0.3
378.37222	0.3
401.04022	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38578	0.6
53.23164	0.7
53.53485	0.6
57.03452	1.2
59.01387	100.0
59.07858	0.6
61.98841	1.8
65.81911	0.6
71.01387	9.6
72.99316	1.0
73.02949	5.6
82.64844	0.7
83.01408	1.3
85.02969	3.7
88.98796	1.0
89.02478	3.8
92.10134	1.3
93.03470	1.2
96.96004	1.5
101.02457	4.9
113.02472	3.4
117.41558	0.7
119.03506	1.0
119.05008	1.1
123.08164	6.1
125.02426	4.1
131.07053	0.7
133.05125	1.4
135.04561	3.3
137.09767	2.8
149.00958	0.8
151.00430	1.2
161.04588	1.5
163.03975	1.6
163.11322	5.8
179.03506	1.7
189.12868	8.1
190.23528	0.8
207.13943	8.0
250.11659	0.7
251.12770	0.9
273.11096	1.5
290.01685	0.9
327.08707	2.9
387.20010	1.3
434.88345	0.8
473.11841	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2164
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83148	7.3
59.01389	100.0
61.98833	48.0
66.41955	6.2
69.76183	5.8
71.01385	8.7
72.86136	6.2
73.22463	5.2
92.57544	6.2
100.89668	6.4
101.02442	8.1
105.25982	6.5
125.02437	13.1
241.39038	6.6
251.16544	32.3
473.21902	13.5
479.54510	7.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52954	0.5
55.01885	1.1
57.03461	0.7
58.00600	0.7
59.01383	100.0
61.82204	0.6
61.98833	7.8
65.00333	2.6
65.75748	0.5
69.03452	1.1
71.01381	35.2
72.41144	0.6
72.99326	1.3
73.02942	54.9
83.01383	14.5
84.95126	0.7
85.02933	6.2
87.00851	1.3
89.02444	9.2
93.55151	0.6
95.01385	0.9
96.95998	0.8
101.02438	37.1
107.01398	4.2
109.02967	1.1
113.02447	12.2
119.03489	3.1
119.05016	1.3
119.35304	0.6
123.04465	0.9
124.01591	0.7
125.02434	4.1
128.41743	0.6
131.03508	3.5
135.04536	4.5
139.00414	0.9
143.03496	4.4
145.01443	0.8
147.04491	0.8
149.00925	0.7
149.04561	3.9
150.03212	1.4
151.00383	12.1
151.04063	1.6
152.01097	3.1
153.00775	0.8
153.01956	1.4
161.04556	10.3
172.85924	0.8
173.06096	0.8
179.03505	3.6
191.46758	0.6
201.05653	0.8
203.05661	0.9
221.06671	2.9
285.04227	7.4
357.10190	1.0
435.09396	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	473.2037
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15490	0.8
57.03444	1.5
59.01387	100.0
71.01387	25.3
73.02945	25.2
75.00876	0.9
78.82719	0.8
83.01406	5.8
85.02963	5.5
87.00895	1.0
89.02448	10.6
92.10088	1.9
95.01378	1.3
96.96033	1.8
99.00912	1.0
101.02451	22.1
109.02940	0.9
113.02474	8.8
119.03482	3.7
121.02993	1.0
121.21720	0.9
125.02454	3.6
135.04549	1.8
143.03511	2.0
149.04541	2.2
149.99585	1.4
161.04564	6.0
174.17180	1.0
179.03412	1.0
179.05606	1.0
251.13054	1.3
257.08096	1.8
265.63461	1.0
326.87747	1.0
334.32721	1.0
413.21957	7.2
470.36908	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80352	0.5
58.38236	0.5
59.01403	1.2
61.87204	0.4
62.89617	0.5
64.36157	0.6
67.01907	0.8
67.85986	0.5
71.01403	0.7
72.99318	0.8
77.85654	0.5
83.01424	0.9
87.00877	0.8
95.01383	1.0
95.03639	0.6
96.96018	1.1
98.95589	0.7
109.02975	2.1
111.00895	6.6
123.00880	0.6
124.01704	3.7
125.02471	1.1
127.00369	2.3
133.01450	0.6
135.04543	6.2
136.98837	3.0
139.00389	5.5
140.01189	6.3
149.00978	2.7
161.02533	0.6
168.00650	10.1
179.03545	5.4
183.02995	100.0
184.03342	0.9
184.89391	0.5
219.37122	0.5
221.04587	0.8
253.08661	1.1
305.55838	0.6
341.08856	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02843	0.6
56.44831	0.7
59.01387	4.2
60.55122	0.7
67.18130	0.7
71.01392	1.6
75.00882	1.6
87.00887	3.0
87.67809	0.7
92.10795	0.9
96.96020	5.8
97.02935	1.1
98.95589	1.6
109.02970	30.1
111.00919	1.2
113.02447	0.9
117.03314	0.9
133.02963	3.9
135.04543	100.0
139.04024	1.0
143.05057	5.7
146.03746	1.8
147.04576	3.4
148.04210	1.0
148.05322	5.0
149.00917	4.3
149.06104	42.1
151.04010	1.2
159.04524	1.6
161.02480	9.9
161.06119	18.3
163.04007	0.9
163.07671	3.2
165.05579	1.5
171.04559	6.7
173.06104	1.2
174.03255	6.7
175.04099	1.4
177.05609	12.1
179.03522	19.1
188.04825	3.1
189.05598	38.1
191.03526	3.0
191.07179	1.3
195.06624	1.3
203.03464	0.9
203.07065	1.2
207.06651	31.7
219.06670	3.1
221.04623	15.4
231.06631	9.7
235.06013	6.0
239.05661	3.5
249.07753	3.1
251.05757	1.1
275.05704	1.7
297.09778	1.8
311.07755	4.4
311.11377	3.0
327.78009	0.8
341.08920	5.9
369.11905	3.9
383.09802	1.1
401.11011	1.8
411.13083	0.9
413.11050	9.5
415.12268	1.8
439.89764	0.8
443.11917	1.6
473.12476	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	473.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47038	0.4
59.01385	4.4
61.63044	0.4
61.87422	0.5
71.01372	0.6
72.99302	4.9
85.02938	3.6
86.67788	0.5
87.00878	14.2
87.01375	0.8
88.98824	0.8
89.03909	0.4
96.96008	4.3
103.00380	2.6
108.02244	0.5
109.02959	0.5
111.00910	0.6
125.02414	0.7
129.01930	3.2
130.99837	0.8
133.03053	0.8
134.03754	2.3
135.04536	100.0
147.04588	0.6
149.00932	34.3
160.01683	0.5
161.02448	1.0
169.01347	0.5
177.05527	0.5
178.68480	0.5
179.03513	84.7
189.05550	0.8
194.34079	0.5
207.06636	0.7
231.06479	0.5
254.66032	0.5
341.08829	39.0
370.20764	0.5
473.09671	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0947
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16020	0.4
54.70570	0.5
55.01883	1.0
57.03456	3.2
59.01397	3.4
64.51907	0.5
64.60208	0.5
67.01908	3.7
68.99839	0.5
69.03472	3.7
70.40822	0.6
71.01376	5.9
72.99290	0.5
73.02953	2.1
74.89937	0.5
78.95902	8.2
79.95761	2.7
81.03469	1.2
83.01386	1.2
85.02948	21.1
85.03448	0.7
87.00862	12.1
87.01350	0.5
93.03470	0.7
95.01393	6.5
96.96005	100.0
96.96923	14.3
97.02963	1.4
103.04002	0.9
107.01402	1.2
108.02205	2.2
109.02969	3.0
111.00865	4.2
113.02433	4.6
115.00378	1.3
123.00887	3.0
125.02438	20.8
125.03310	1.1
127.03996	0.8
129.01956	3.4
132.04579	0.8
134.24744	0.5
135.04512	12.5
137.02438	1.0
139.00368	4.1
144.04588	0.8
145.04958	0.6
149.00911	1.4
151.00359	0.9
157.01433	15.0
163.02515	1.1
168.00694	1.0
168.33858	0.5
169.01428	21.1
175.02473	5.3
179.03505	8.5
191.03600	0.8
208.97729	0.6
211.02539	2.3
219.03094	0.9
219.07869	1.1
220.07950	0.9
224.00038	0.6
239.18286	0.6
250.98711	0.8
262.15237	0.6
284.56558	0.5
315.07233	0.8
327.03613	9.8
341.08789	2.6
353.02313	0.6
369.04492	5.5
451.56311	0.6
455.08414	3.2
473.09232	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.0941
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62870	1.0
55.01895	2.2
57.03463	5.3
59.01382	9.2
62.34922	0.9
67.01903	6.7
69.03468	6.6
71.01373	12.4
72.89586	1.0
73.02957	2.7
76.46294	1.1
77.54103	1.0
78.95903	11.5
81.03472	2.2
83.01405	5.9
85.02953	41.2
87.00874	24.3
89.02473	1.7
92.10872	2.3
95.01385	12.9
96.29944	1.0
96.96008	100.0
96.96925	16.5
97.02959	1.3
97.53668	1.0
98.95605	1.1
101.02417	1.6
107.01392	2.6
108.02187	2.6
109.02956	8.0
111.00852	8.3
113.02457	8.5
113.39395	1.2
115.00368	4.4
121.02959	1.3
123.00887	2.2
125.02428	36.1
129.01926	10.8
135.04535	25.3
137.02426	1.6
139.00385	6.9
147.04491	1.4
149.00929	6.5
151.00385	1.5
153.02005	1.8
157.01436	29.8
159.47925	1.0
163.02394	1.5
168.00603	1.5
169.01431	38.6
169.02805	2.1
175.02487	8.9
179.03511	19.3
208.97714	4.1
211.02452	2.3
224.00000	1.4
250.98853	6.5
253.08893	1.8
303.20779	1.3
315.07260	2.0
327.03564	14.7
341.08783	6.6
353.01892	7.0
369.04810	15.4
398.63757	1.2
413.04050	5.5
413.16815	1.7
455.08646	4.4
491.89581	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2972
Annotation	Unknow
Peak:m/z	Relative Intensity
56.40239	1.8
57.15722	2.5
61.98823	2.4
62.46643	2.0
69.23605	2.1
69.45719	1.9
76.04711	2.1
88.02014	2.1
142.98141	1.9
204.36606	2.2
209.36095	2.3
277.21780	100.0
336.66861	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	471.3488
Annotation	Crataegolic acid
Peak:m/z	Relative Intensity
65.18631	1.1
74.86783	1.4
77.21394	1.1
79.43599	1.0
92.10086	3.2
92.65839	1.2
121.10812	1.2
155.14990	1.1
178.28339	1.2
210.48282	1.3
252.65359	1.2
270.91864	1.3
285.29791	1.3
377.28741	1.9
393.31720	31.9
409.34891	23.0
423.91678	1.3
426.36807	1.2
427.35861	11.5
453.33798	2.1
471.34921	100.0
473.89642	1.2
497.54953	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1594
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	17.7
61.98838	19.6
67.03024	3.5
79.91891	2.6
83.02523	2.5
85.02984	3.9
92.05053	34.9
92.05510	2.3
96.96009	55.8
96.96955	3.1
101.02489	4.1
102.05614	12.8
106.04156	3.6
109.03008	4.3
109.04087	4.6
120.04537	2.9
126.06756	5.4
128.03542	51.0
133.61716	2.6
135.04543	29.4
135.05675	11.2
136.04047	13.0
146.04601	6.2
147.05690	11.8
148.04080	30.3
149.00975	4.8
149.04758	2.9
149.06065	10.5
152.33702	2.5
160.84219	3.1
161.02405	4.5
163.06276	15.0
177.05547	3.8
177.10397	12.6
179.03523	5.8
189.05583	4.8
189.10342	14.9
221.09277	12.7
223.36189	2.5
233.09315	29.3
248.54942	2.7
275.11600	12.6
300.07733	4.0
300.11020	50.5
314.69687	2.5
343.11533	5.5
360.16687	3.0
385.16385	20.7
386.14935	3.8
404.15860	39.9
412.19299	5.2
428.93341	2.8
429.15549	13.4
472.15979	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82750	0.6
57.03455	1.4
59.01386	100.0
61.98827	2.2
71.01033	0.5
71.01395	3.7
75.35439	0.5
83.01369	0.8
85.02969	1.1
89.02459	3.0
99.10126	0.6
101.02409	1.3
109.02963	3.4
113.02474	2.9
117.03478	2.5
119.03607	0.6
119.05024	3.7
121.35403	0.6
123.04533	2.7
125.02459	4.7
137.02428	3.4
139.04001	1.0
145.02994	4.9
151.04012	1.1
163.04071	1.1
165.01909	1.2
177.01883	1.4
179.05560	0.8
187.04077	1.0
189.01897	4.1
190.02553	0.7
191.03645	0.8
203.07115	0.9
203.14482	2.5
205.15955	3.0
217.01367	1.3
228.68530	0.6
231.03046	0.8
245.08206	1.4
249.14992	57.5
250.15495	0.7
271.06238	0.8
289.07208	10.1
291.16098	2.4
293.17368	0.6
341.06842	4.2
411.20175	1.4
435.10956	5.0
482.33209	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.79349	0.5
57.03474	0.7
57.30447	0.5
59.01392	100.0
61.98847	3.3
69.47592	0.6
71.01388	7.7
71.01688	0.5
73.02938	1.1
83.01408	0.8
83.05058	3.0
85.02985	2.5
89.02448	6.4
96.96038	0.8
97.06599	0.8
101.02458	3.0
113.02457	5.1
119.03504	0.9
137.09660	0.9
139.04056	3.0
143.03476	0.6
161.04567	1.3
171.11778	0.8
187.14961	2.9
205.16052	4.8
231.13986	2.9
234.91907	0.6
249.14970	65.7
263.16571	1.0
273.14990	8.0
291.16055	3.9
303.16055	0.7
390.36316	0.8
411.20172	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02806	0.9
52.52856	0.8
56.51589	0.8
57.03458	9.1
59.01387	4.9
67.47623	0.8
67.51833	0.8
71.01392	1.4
72.99307	16.7
73.02982	1.2
73.96765	0.8
82.95420	80.5
85.02958	34.3
85.75935	0.9
87.00881	4.2
89.02451	0.9
96.96001	1.6
101.02446	4.4
109.02983	1.4
111.19997	0.8
124.01614	0.9
125.02422	5.4
129.01950	15.9
133.02940	4.0
134.03772	2.0
135.04532	100.0
147.03018	70.8
149.99599	1.7
156.06613	1.0
161.02495	12.8
168.00659	4.4
169.01027	1.6
179.03510	90.5
233.27104	1.1
251.07042	1.1
323.08170	3.4
341.08841	53.5
342.47302	1.0
376.95959	1.0
411.19196	1.2
470.12836	1.2
471.13541	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	471.1989
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01409	0.7
72.00905	4.8
72.99281	0.4
74.02470	20.1
75.06269	0.4
78.95950	0.5
85.28883	0.4
87.00890	0.9
88.42477	0.4
96.96022	4.5
96.96982	0.6
98.65856	0.4
99.04555	0.5
100.21255	0.4
131.03842	0.5
132.04553	42.8
143.03642	0.4
144.04561	60.8
145.30008	0.4
149.00926	0.7
157.05344	0.9
157.07706	6.4
158.06143	10.1
161.04523	1.9
175.08749	5.8
202.05167	0.8
207.03572	0.5
219.07782	100.0
220.08125	0.5
237.08893	4.7
318.16263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87298	1.6
55.01888	7.3
55.72149	1.7
55.76994	1.5
56.68427	1.6
57.03457	3.3
58.00607	1.8
59.01386	81.7
61.98841	1.6
63.57318	1.6
71.01382	51.6
72.99296	3.8
73.02941	19.3
76.42334	1.7
83.01390	12.3
85.02946	25.5
87.00864	7.5
89.02461	20.4
90.85111	2.4
95.01380	3.2
96.96014	26.0
97.02953	2.2
99.00887	8.1
101.02444	51.2
103.00391	6.9
103.04047	2.3
113.02431	16.7
119.03527	4.2
119.05004	2.4
121.02961	2.3
125.02457	2.6
132.69212	2.0
135.04544	18.5
143.03531	3.4
145.05048	2.5
155.32541	2.2
159.04466	3.1
161.02499	2.3
161.04562	15.7
163.06114	7.9
179.03522	17.8
197.38194	1.9
203.03551	3.9
204.40503	2.2
250.90990	1.9
265.12970	35.5
305.56171	1.9
345.45557	2.3
411.18811	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	469.2577
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
61.29090	16.9
61.98845	25.3
65.56080	18.5
80.90961	16.9
81.94209	18.8
85.64051	21.7
101.02400	22.9
182.45302	16.5
185.07011	16.8
217.05054	19.5
433.24310	45.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.086
Annotation	Unknow
Peak:m/z	Relative Intensity
58.56694	1.3
59.01386	61.6
61.98852	3.4
71.01384	7.3
72.21186	1.6
72.99319	2.1
73.02975	2.3
78.45415	1.4
82.95435	2.4
83.01408	2.2
85.02963	2.0
89.02447	9.2
92.10809	3.0
93.03463	14.4
95.05054	1.8
95.13713	1.5
99.04512	1.8
101.02430	2.8
109.02965	29.2
119.04990	1.9
121.02964	2.6
123.00844	2.3
123.04521	28.5
124.01659	2.7
125.02470	17.3
133.02960	3.3
134.03743	3.8
137.02477	1.6
139.03882	1.8
145.02930	11.1
147.04517	6.4
149.99568	8.3
151.04031	25.5
152.01163	1.9
161.02477	2.3
168.00648	9.5
177.01955	39.4
179.05583	3.4
187.03906	2.9
189.01959	76.9
190.02747	15.9
191.03540	20.9
203.03543	9.7
216.00735	12.1
217.01442	57.6
218.02200	3.8
219.03018	25.1
231.03075	16.5
249.14893	11.8
271.06085	2.8
273.07489	1.8
281.04480	2.6
289.07034	2.2
311.05716	7.8
314.10138	1.7
341.06729	100.0
435.10953	71.4
436.10760	2.3
471.15076	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	469.23
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	6.2
57.03461	1.8
57.88188	1.1
58.00598	1.3
59.01388	100.0
59.12857	1.1
61.98836	5.2
63.38787	1.3
69.03481	1.2
71.01384	52.6
72.99326	1.6
73.02953	24.8
83.01385	16.5
85.02962	28.7
87.00869	2.3
89.02449	10.3
90.59772	1.1
92.66709	1.4
95.01390	6.0
97.02934	1.5
99.00907	5.9
101.01783	1.9
101.02450	53.6
108.02192	3.2
109.02958	6.7
113.02458	19.4
119.03506	1.9
121.02940	1.6
123.00896	2.2
123.04531	1.8
124.01693	9.5
125.02445	19.0
143.03523	2.0
149.99551	10.1
152.01225	1.6
159.03008	5.2
161.04562	14.3
168.00659	18.9
183.08081	1.8
185.06133	5.1
209.06140	1.5
227.07205	23.7
253.05078	23.2
255.03033	6.4
263.15057	56.6
270.63821	1.6
271.02603	13.2
271.06155	33.4
272.06339	1.9
279.15927	2.1
300.02875	20.4
301.03510	6.3
409.20868	99.1
433.07050	11.6
469.13583	18.5
469.20874	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	469.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
54.02155	1.2
54.64582	0.9
55.01880	1.5
55.28300	1.0
57.03461	5.3
59.01384	75.2
61.37986	1.1
61.98835	1.3
71.01382	33.7
73.02953	20.9
83.01378	15.0
85.02955	25.0
86.25655	1.1
87.00857	2.4
89.02455	7.4
95.01368	1.8
97.02948	2.2
98.52469	1.2
99.00889	6.0
101.02448	47.3
108.02210	1.8
109.02924	1.7
113.02454	20.5
123.00825	1.5
124.01643	6.3
125.02442	12.3
135.04501	5.0
143.03511	2.0
149.02437	1.9
149.99579	6.8
151.00374	1.3
152.01196	1.5
159.02943	1.4
161.04539	17.1
168.00685	10.7
169.01413	1.2
173.11818	1.5
243.03064	2.0
247.05733	1.3
255.03049	2.2
263.15009	55.6
271.02570	7.7
271.06238	1.8
279.37332	1.4
300.02826	13.8
301.03528	4.9
307.14120	1.4
339.46448	1.3
409.20889	100.0
410.21262	1.5
433.07391	9.2
469.13699	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	469.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46627	0.1
56.97637	0.2
59.01382	1.6
60.01399	0.2
60.14734	0.2
60.94384	0.2
61.98840	0.4
66.07110	0.2
71.01381	1.0
74.27741	0.2
78.95903	5.5
79.95729	1.9
85.02972	0.2
89.02486	0.3
96.96009	100.0
96.96906	8.0
98.42559	0.2
98.95587	1.0
101.02462	0.3
110.02830	0.2
114.39838	0.2
119.03469	0.4
124.01675	0.2
125.02439	0.5
126.80204	0.2
135.04556	1.4
151.00381	1.2
163.02484	0.4
168.00668	0.4
170.30293	0.2
214.04616	0.2
271.06058	1.0
287.05658	0.9
347.66925	0.2
376.13672	0.3
418.85580	0.2
433.11530	0.9
469.12976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	2.5
59.01389	100.0
61.98840	3.7
70.05400	1.8
70.27126	1.7
71.01402	8.8
73.02956	3.0
83.01424	9.5
85.02978	3.2
89.02469	4.8
89.48546	1.8
92.10122	2.4
92.42795	1.7
94.46642	1.9
95.01425	2.1
97.02971	2.6
101.02459	3.5
109.02961	8.2
113.02449	7.7
121.06594	8.3
123.04543	3.8
125.02440	8.6
129.61427	2.0
137.09723	92.5
139.04044	2.7
146.23811	1.8
147.08133	2.4
149.02460	9.3
151.00450	3.2
153.01976	8.7
160.46179	1.9
161.13342	4.6
163.11411	2.1
165.01982	2.6
169.01384	2.8
171.08162	8.5
173.88652	2.0
185.13213	3.1
187.11314	40.1
203.14485	46.7
225.05664	2.7
229.12373	16.7
240.63214	2.4
245.15511	2.7
247.13399	65.7
264.64008	2.1
271.13367	21.4
289.07236	3.4
289.14346	8.0
317.06693	28.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	1.0
59.01387	90.3
61.98850	4.3
71.01392	9.4
83.01402	4.6
85.02982	6.4
89.02434	8.1
97.06626	1.8
101.02470	4.1
108.02161	1.3
109.02998	5.7
113.02466	6.2
119.03474	2.0
121.02950	1.1
121.06597	2.5
121.10254	2.2
123.04523	2.2
125.02454	1.3
134.03749	10.0
137.09731	48.6
142.62186	0.9
147.04533	4.9
147.08173	19.0
149.06087	29.7
161.04588	1.2
163.11090	1.2
171.08133	6.1
187.11305	37.1
189.24582	1.0
197.34032	1.1
201.12993	1.5
203.14458	53.1
223.99336	0.9
229.12376	16.7
242.67551	1.4
243.94666	1.1
245.15459	4.5
247.13423	100.0
271.09827	19.1
271.13425	20.4
271.19284	8.5
289.14517	11.0
301.14465	1.5
313.14462	1.7
319.15826	1.2
375.66132	1.1
469.22052	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	469.1014
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46220	0.2
59.01383	3.5
59.51939	0.2
59.70084	0.2
59.75698	0.2
60.54808	0.2
61.98834	1.7
67.74498	0.3
71.01395	0.5
78.95905	5.4
79.95740	1.3
85.02927	0.3
96.96009	100.0
96.96903	6.9
111.00896	0.4
121.04410	0.3
125.02431	1.2
165.09215	1.9
209.08226	8.8
247.13206	0.3
255.02806	0.3
269.08115	0.3
269.17380	0.4
274.04507	0.3
285.04053	0.4
347.40225	0.4
371.13571	1.1
387.55963	0.3
393.33771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45953	0.2
59.01387	6.9
60.01718	1.4
61.01811	1.1
61.98833	100.0
69.00220	0.2
71.01402	0.4
78.95927	0.2
89.02437	0.5
96.95995	2.7
97.94286	0.3
101.02398	0.4
127.40523	0.3
129.81644	0.3
139.35373	0.2
209.36188	0.3
311.24222	0.3
413.79474	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2094
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03006	0.4
61.98841	1.6
64.51955	0.3
70.84673	0.3
71.01403	1.6
71.05030	1.0
72.00912	35.2
72.04556	3.4
73.02989	0.4
87.00874	0.4
96.96021	2.5
98.02486	12.3
99.01633	0.3
100.04057	4.7
112.07678	0.4
126.05599	0.3
144.03044	100.0
152.55533	0.3
163.02527	0.4
216.08804	36.3
218.12935	0.4
267.93622	0.3
312.65921	0.4
408.92404	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83232	0.4
57.03463	2.4
59.01391	20.1
61.98849	1.2
63.02420	2.4
65.00325	6.1
65.03979	1.0
67.11033	0.5
71.01392	4.5
72.99319	0.8
73.02953	1.1
80.91700	0.9
81.03474	0.8
82.95421	10.3
83.01394	6.4
85.02977	2.5
87.00889	0.6
89.02460	2.8
89.54881	0.5
96.96001	0.6
101.02451	1.4
102.66866	0.5
103.05502	0.8
105.03445	1.2
107.01390	11.2
107.05038	3.9
109.02966	7.0
111.00858	0.8
113.02449	1.2
116.92912	0.6
119.03510	0.6
119.05058	0.9
119.68304	0.6
121.02958	0.8
121.06622	1.0
121.65004	0.5
123.04552	0.6
124.01648	1.0
125.02432	15.7
129.07039	1.3
130.04240	2.3
131.05017	4.7
133.02930	4.1
135.04538	0.8
137.02463	0.7
145.06598	5.4
147.04521	3.3
149.00967	0.7
149.02365	0.6
149.06088	7.6
150.99162	1.4
151.00381	37.8
151.03976	1.0
152.01163	4.5
158.03816	1.0
159.04483	0.6
161.02498	0.9
163.07658	1.2
165.01883	0.6
169.01337	0.7
171.04520	0.8
171.28452	0.6
173.06076	19.4
174.03256	0.7
175.04036	3.6
177.01970	2.1
178.99837	2.3
179.03519	0.8
189.05649	4.3
191.03519	2.4
191.07147	0.8
199.04063	3.2
207.06651	9.6
217.05078	100.0
223.81512	0.7
235.06142	4.9
261.04053	73.4
269.04544	3.6
381.11896	4.6
409.24649	1.4
425.11020	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52684	0.3
52.78285	0.3
59.01385	0.8
61.98840	0.8
66.65062	0.4
68.30044	0.3
69.50446	0.4
69.58974	0.3
75.02908	0.3
76.58115	0.4
108.02181	8.2
138.01978	100.0
139.02286	0.5
152.01161	0.5
168.11493	0.4
432.11798	0.6
468.09253	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	468.209
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49675	0.3
54.34365	0.2
59.01389	5.9
60.01717	1.1
61.01812	0.6
61.98836	100.0
71.01395	1.0
71.08671	0.2
74.20407	0.2
89.02437	0.4
90.02764	0.3
99.51892	0.3
115.76352	0.3
120.65096	0.3
129.62692	0.3
130.80573	0.3
135.59149	0.3
146.52557	0.3
149.09705	0.3
150.10127	0.3
151.10410	0.4
153.09218	0.3
159.98253	0.2
167.10849	0.5
168.11136	0.6
288.81689	0.3
308.19705	0.3
408.22171	1.0
409.62070	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52631	0.1
57.03445	0.2
59.01388	13.7
60.01720	2.1
61.01811	2.0
61.98837	100.0
62.02158	0.2
71.01398	0.8
85.02992	0.2
89.02459	0.9
91.02880	0.2
95.63229	0.2
96.96001	0.2
101.02481	0.4
109.02973	0.2
119.03489	0.3
123.04494	0.2
125.02441	0.3
137.02431	0.2
138.01959	0.3
150.03470	0.1
165.01932	0.6
167.03566	0.2
180.04372	0.2
195.06657	0.3
256.14673	0.1
271.26968	0.2
289.07291	0.3
295.31711	0.1
433.23193	0.2
468.11499	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.206
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
59.01613	6.4
60.71301	6.3
61.53179	6.6
61.98861	7.3
66.75006	6.9
69.33768	7.7
71.01384	14.7
85.02965	31.5
89.02534	6.8
91.34618	6.4
93.70866	6.6
96.96027	8.6
101.02473	10.0
102.78720	7.3
111.00925	42.1
125.02461	11.8
144.79279	6.9
149.06073	8.4
154.99837	8.0
155.41547	8.3
167.70082	7.0
227.03389	11.8
245.11841	46.3
255.03036	14.8
269.17593	13.7
285.04132	31.2
306.81165	7.9
333.07114	7.3
407.26532	10.6
431.09375	22.7
467.19711	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	467.214
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03494	0.9
58.00633	0.8
59.01395	100.0
61.98859	1.6
68.84480	0.6
69.03493	0.9
69.60799	0.7
71.01391	25.8
72.99342	3.6
73.02958	27.0
73.82357	0.6
77.57427	0.7
79.93575	0.6
83.01437	1.5
85.02969	12.0
87.00905	6.0
87.04553	3.8
89.02457	27.2
89.03001	1.0
95.01331	0.9
97.02966	0.7
101.02452	35.2
101.03082	1.5
103.04014	15.5
113.02471	6.4
115.04014	8.9
116.05450	0.8
119.03510	8.1
125.02472	3.1
131.03520	11.4
143.03511	13.0
145.05124	4.2
157.65582	0.7
161.07198	1.4
163.06151	40.1
179.05661	3.9
189.06779	1.2
198.56104	0.8
205.07196	16.3
261.13437	2.7
265.09311	6.7
389.79126	0.8
407.19287	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	467.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	4.8
57.03463	3.5
58.00625	0.7
59.01392	78.5
71.01387	36.8
72.99310	1.2
73.02950	18.5
83.01390	12.1
85.02954	21.6
85.03455	0.9
85.92170	0.7
87.00877	0.9
87.21503	0.6
89.02452	5.1
92.10770	2.4
95.01413	2.8
97.02931	1.1
99.00867	6.3
99.94616	0.7
101.02444	45.3
113.02456	17.7
123.00867	0.6
125.02454	1.6
143.03491	1.2
159.03008	2.8
161.04567	16.3
163.06076	0.8
195.04753	0.7
213.62357	0.7
233.04550	2.4
261.13428	56.9
289.07449	0.9
407.19260	100.0
467.20569	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1677
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09842	1.2
53.87144	1.4
55.01907	2.0
55.32224	1.4
56.37314	1.4
57.03463	46.1
59.01393	65.5
61.98854	2.4
66.42836	1.5
67.22721	1.5
70.88644	1.4
71.01394	22.7
72.99347	1.8
73.02973	6.6
78.29224	1.5
80.38473	1.4
83.01402	3.2
85.02969	28.6
89.02466	13.5
96.96054	3.3
99.00871	2.0
99.04518	16.5
101.02450	23.1
111.00892	23.2
113.02440	3.7
116.92792	1.7
119.03501	3.3
125.02464	9.1
129.01944	2.5
129.64096	1.9
131.88219	1.6
145.07692	3.5
154.99907	1.9
160.06422	24.7
161.04568	10.9
161.07220	60.6
163.06198	3.4
171.10275	6.2
173.00926	6.9
173.10742	2.6
175.08775	48.7
179.05659	2.3
187.08876	4.0
189.06725	100.0
191.02069	3.2
201.10384	7.6
203.08328	40.0
203.11945	8.3
209.03087	12.0
229.09892	23.9
259.02072	1.8
275.15082	2.7
289.07333	1.7
305.11490	60.5
323.12543	84.3
323.16388	3.4
365.13681	12.3
407.19150	15.4
467.10410	2.2
467.16663	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	467.1715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58517	0.3
59.01385	5.5
59.86127	0.3
62.55761	0.4
121.02956	100.0
132.59784	0.4
158.55870	0.4
233.19572	0.5
267.63806	0.4
275.11230	0.4
380.67636	0.6
405.90720	0.5
413.22357	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	1.6
61.98834	100.0
68.53272	0.2
70.89985	0.2
83.07645	0.2
92.64338	0.2
114.12395	0.2
116.52667	0.2
166.37537	0.2
241.08740	2.0
242.08958	0.9
243.09308	0.5
352.72229	0.2
475.49551	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01915	1.3
57.03460	2.0
59.01389	22.2
61.98864	1.5
67.01884	1.2
69.03452	2.1
71.01384	12.7
72.99318	3.8
73.02956	1.8
73.54362	0.8
78.60770	1.1
79.95782	1.0
81.03447	1.0
81.95341	0.8
83.01394	2.0
85.02953	13.7
87.00903	1.2
89.02434	7.1
95.01389	5.6
96.96010	81.4
97.02946	3.3
99.00885	0.9
101.02444	6.5
107.01401	10.0
107.02009	0.9
108.02182	46.9
109.02961	29.1
111.00882	7.2
113.02457	6.2
116.92873	10.9
117.76977	0.9
119.03529	1.5
119.05033	5.0
121.02956	3.6
123.00893	18.6
123.04517	5.0
125.02441	48.6
129.01959	1.8
132.98203	0.9
135.04510	3.4
136.98831	1.0
139.00363	3.5
140.01131	5.2
141.01964	1.4
147.03020	4.3
147.04396	1.1
149.02533	1.0
151.00388	11.3
152.01167	57.5
153.01933	14.6
153.05655	1.2
161.04594	1.5
163.03963	1.8
165.05492	1.6
168.00618	4.6
169.01436	52.1
177.01956	1.4
179.03441	1.3
179.05585	1.0
193.01733	0.9
193.98589	9.5
205.03551	2.6
218.99849	1.2
223.04561	7.1
241.03662	1.1
313.05597	9.7
315.07303	21.0
350.56384	1.3
406.21783	3.9
407.02975	1.5
407.22321	4.6
423.09360	23.3
449.07361	2.0
467.08310	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	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	0.8
57.03460	5.4
58.00602	1.5
59.01386	100.0
61.98834	11.6
71.01382	36.8
71.01775	1.5
72.99313	1.5
73.02959	1.1
83.01380	0.7
85.02956	9.7
87.00883	1.2
89.02444	50.4
95.01385	2.7
99.04515	1.1
101.02442	17.7
104.01553	0.6
104.48395	0.6
109.02979	0.7
112.05288	1.0
113.02460	15.0
117.60117	0.7
119.03507	17.6
125.02473	0.9
125.09729	34.9
131.03488	2.6
134.07399	1.0
137.09720	0.8
143.03465	1.1
149.04533	1.7
149.09743	14.0
161.04587	4.3
167.09477	1.0
167.10796	18.1
179.05624	13.4
207.13907	1.7
225.14981	11.7
241.42905	0.7
243.15872	1.0
266.11603	0.7
405.21381	47.0
417.04129	0.7
439.41595	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82932	0.5
55.01891	2.6
57.03464	2.2
58.00617	0.6
59.01387	74.2
65.00317	0.7
67.29481	0.4
71.01385	14.5
71.01774	0.6
72.99339	0.6
73.02948	6.7
75.00881	0.5
79.03120	0.4
79.33944	0.4
83.01400	6.0
85.02952	10.9
85.67990	0.5
87.00892	1.7
88.98804	0.5
89.02457	2.5
89.59009	0.5
95.01375	1.1
99.00900	2.9
101.02452	13.9
101.23370	0.4
107.01405	2.8
108.02205	2.0
109.02966	3.0
111.00877	0.8
113.02470	5.9
123.04543	2.3
124.01678	2.0
125.02474	1.0
134.03743	3.8
135.04019	0.8
136.04326	0.7
149.06088	2.8
151.00389	4.2
151.03996	0.9
152.00731	2.7
153.00893	2.0
161.02531	0.6
161.04610	0.8
164.01175	0.8
165.01704	0.6
175.03831	0.6
177.01945	3.0
189.01962	7.1
190.02658	2.2
191.03511	1.1
216.26724	0.5
217.01443	4.3
219.03064	0.7
223.13377	0.6
243.19693	0.7
301.07178	5.5
302.07672	4.2
303.07806	10.3
303.12482	1.0
341.06738	7.6
405.25119	2.5
447.26300	2.9
457.38531	0.5
465.13260	3.9
465.27136	100.0
466.27478	2.1
469.42715	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2346
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12690	0.5
55.01851	0.4
56.49538	0.4
57.03447	4.4
59.01385	100.0
62.33424	0.4
65.62534	0.5
66.91214	0.4
71.01384	13.0
73.02967	0.6
83.01392	0.5
85.02962	2.8
89.02440	18.4
95.01387	0.9
101.02438	7.1
112.05257	1.5
113.02469	5.7
117.32915	0.5
119.03497	6.9
134.07376	2.1
137.09689	1.2
139.07693	0.9
143.03462	0.9
148.73752	0.5
149.04468	0.6
149.09729	16.8
153.09206	6.6
161.04617	3.5
167.10783	23.8
179.05624	6.0
225.15036	3.9
243.16006	3.9
305.09979	0.6
405.21338	22.2
479.90588	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2344
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28296	0.4
52.43370	0.4
54.37585	0.5
55.33926	0.5
57.03469	0.7
59.01385	100.0
60.09511	0.5
69.72597	0.5
71.01381	6.6
76.57930	0.5
85.02970	0.7
89.02453	7.2
96.96008	0.6
101.02445	2.9
113.02454	2.3
119.03494	4.3
140.93962	0.5
161.04558	0.9
165.01932	0.8
167.10707	0.5
170.57275	0.5
179.05663	2.6
189.53554	0.5
336.24194	0.6
405.21637	5.1
465.23764	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2348
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	8.5
58.00616	1.5
59.01389	100.0
61.98832	0.5
69.03477	0.4
70.61884	0.3
71.01392	27.4
71.04002	0.3
72.99323	1.5
73.02949	1.4
81.03478	2.2
83.01417	2.6
83.05077	0.8
83.67471	0.3
85.02967	5.1
85.32756	0.3
86.74817	0.3
87.00871	0.7
89.02455	32.5
93.03470	0.7
95.01396	3.0
95.05035	3.0
97.02962	9.4
98.18986	0.3
99.00862	0.6
99.04533	2.2
101.02451	13.2
108.02209	0.7
109.02966	2.4
112.05312	1.4
113.02472	10.0
113.06085	2.2
116.92850	0.6
119.03505	12.9
121.02960	2.4
121.54428	0.3
122.03750	3.6
123.04497	2.3
123.08078	0.4
124.01629	0.7
125.02454	5.5
125.06083	0.6
131.03496	0.7
131.08592	0.4
131.33650	0.4
133.02954	1.9
134.03708	0.4
134.07393	2.0
135.04494	0.7
137.02451	5.8
137.09720	1.6
138.03239	1.4
139.04010	2.1
139.11353	0.4
143.03500	1.7
143.05756	0.3
148.01622	0.8
149.02426	1.4
149.04570	0.4
149.09740	25.6
150.03342	0.5
153.09286	0.4
154.02663	0.6
159.04506	0.4
161.02434	1.3
161.04575	5.3
163.04024	2.4
164.01155	0.4
165.01917	2.7
166.02744	0.7
167.03503	10.9
167.10788	30.1
177.01921	0.4
177.05554	0.5
179.03601	1.3
179.05630	9.9
197.04526	0.9
201.05482	1.9
202.06375	1.9
204.04236	1.5
207.13951	1.5
217.08635	1.4
219.06593	2.2
220.07399	4.9
225.14987	6.4
225.60738	0.5
235.02403	1.6
235.09784	2.2
243.15994	2.1
244.07463	3.2
259.09720	0.9
270.05396	0.8
285.07712	2.4
285.17108	0.7
303.08807	27.2
307.69922	0.4
327.08731	2.7
343.78629	0.3
345.06073	2.3
368.38409	0.4
405.21353	32.8
465.23254	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	0.8
57.03463	3.5
58.00610	0.6
59.01387	100.0
68.13802	0.5
71.01382	25.5
72.99339	0.9
73.02943	1.4
81.03463	0.9
81.73493	0.6
83.01411	2.6
85.02962	5.6
87.00890	1.1
89.02444	32.1
92.64993	0.7
95.01397	1.4
96.96011	0.7
97.02972	0.9
99.04510	2.5
101.02441	14.6
107.01406	0.9
109.03015	0.8
113.02451	11.4
119.03507	12.1
124.55582	0.6
125.02454	14.4
125.11978	0.6
131.03477	1.0
137.02443	1.0
139.04037	0.6
143.03589	1.2
149.02444	1.2
149.04538	1.0
149.09734	0.9
151.00368	3.8
153.01932	3.2
161.04514	5.5
165.42136	0.6
167.10825	0.9
168.14565	0.6
175.04004	1.3
177.01999	1.2
178.99875	1.3
179.05620	8.5
181.01410	1.4
199.93726	0.7
242.96541	0.7
275.05634	2.9
285.04031	7.2
303.05209	7.5
303.08496	1.1
341.05432	0.7
405.21381	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11358	0.9
55.01884	6.8
57.03442	3.3
59.01385	100.0
59.36112	0.8
63.86165	0.8
69.03458	1.3
71.01382	57.1
72.99319	1.9
73.02942	27.9
75.00866	1.0
83.01384	16.8
84.99368	1.0
85.02951	35.4
87.00890	1.8
87.04524	1.1
89.02457	14.0
93.03432	1.0
95.01379	2.3
97.02952	1.9
99.00870	10.6
101.02441	58.2
103.04015	4.2
113.02458	26.1
119.03481	5.6
125.02418	12.2
129.01895	1.0
131.24852	1.0
143.03528	2.1
149.09763	2.0
151.00383	1.1
153.01970	2.5
159.02992	4.1
161.04579	31.1
163.06107	2.4
167.10800	2.1
179.05513	1.5
207.13867	3.9
232.98572	1.2
247.08243	1.7
259.08258	54.7
285.04132	1.8
303.05139	2.1
373.06070	1.0
392.86569	1.0
405.14084	95.6
405.21286	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	465.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82896	0.7
55.01874	1.2
57.03444	8.3
59.01384	100.0
61.98833	1.3
67.15616	0.8
71.01380	28.4
71.05025	0.8
72.99319	2.1
73.02972	3.4
73.18058	0.8
77.80449	0.8
82.95397	2.6
83.01405	4.5
83.31481	0.9
85.02949	8.4
87.00871	1.4
88.98801	6.3
89.02439	33.1
92.35739	0.8
95.01408	4.6
99.04523	1.7
101.02436	18.7
102.32530	0.8
103.12187	0.8
107.01396	1.1
107.69146	0.8
109.02955	2.0
111.00927	1.0
113.02456	12.5
115.07657	8.9
116.92898	1.0
118.28419	0.9
118.91905	1.0
119.03481	12.0
119.04977	0.8
119.53926	1.0
121.02970	1.8
122.03693	1.2
123.04520	1.6
124.01639	1.4
125.02445	32.2
125.09724	38.3
134.03658	1.1
135.04556	2.0
137.02461	3.1
139.07603	0.9
149.02507	1.3
150.03252	2.1
151.00357	8.5
151.03999	3.5
152.01103	3.7
153.01935	3.7
153.09259	3.8
161.02473	1.8
161.04590	5.4
165.01964	1.2
169.01411	3.9
171.10298	1.2
175.04013	5.3
177.01929	4.6
178.99899	4.0
179.05615	9.2
188.31407	0.9
189.05623	1.0
199.04022	1.6
207.13896	2.0
213.15048	0.9
217.05135	3.5
225.14977	10.1
241.05067	1.8
243.16026	14.5
257.08160	6.4
259.09790	4.9
275.05576	1.0
285.04068	11.5
301.03473	1.2
303.05219	9.6
303.08264	1.3
303.12399	2.0
339.07208	1.5
386.38330	0.8
405.21313	49.9
465.09818	7.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.7
58.00599	2.7
59.01392	83.4
65.24017	1.3
71.01385	48.2
72.99325	8.8
73.02968	1.6
78.95925	2.8
83.01397	2.6
85.02933	11.3
87.00872	19.6
88.98814	3.3
89.02448	49.2
95.01398	2.0
96.96009	34.4
96.96981	2.3
101.02441	27.7
103.00391	2.2
108.02171	5.6
111.00900	8.4
113.02467	13.0
115.00375	12.6
119.03503	25.0
119.05036	22.3
121.03027	1.7
125.02455	13.0
127.01606	1.4
131.03551	2.9
133.01431	20.2
137.02432	2.6
138.03249	1.8
142.67871	1.4
143.03540	2.7
147.03146	1.5
147.06703	2.1
149.00946	27.6
149.02431	15.2
149.04504	5.1
155.28339	1.5
160.01675	1.7
161.04573	3.7
163.02678	2.6
163.04015	29.1
165.01926	2.9
165.84785	1.4
169.01440	12.6
177.01939	100.0
179.03450	3.6
179.05624	20.5
180.04274	3.5
191.22705	1.5
192.04301	37.7
192.41568	1.4
194.05859	1.5
195.02979	3.4
195.06659	8.1
203.84190	1.6
207.06641	9.4
210.05350	3.5
225.07715	9.7
295.04645	3.0
315.07327	2.1
387.12967	17.9
405.13959	3.1
465.12500	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	465.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
56.11335	0.3
57.03456	6.7
59.01389	100.0
61.26247	0.4
61.56028	0.3
61.98828	0.5
63.02398	0.5
65.00334	1.8
71.01382	9.5
71.73887	0.3
83.01391	5.1
85.02944	1.7
87.00907	0.4
89.02445	13.0
92.10130	0.8
92.67023	0.5
93.03490	0.7
95.01375	0.9
96.96020	3.7
97.03010	0.4
101.02442	5.0
107.01396	3.6
109.02959	3.0
111.00887	0.4
113.02473	4.0
119.03498	4.6
121.02972	1.0
123.04515	4.6
124.01674	0.7
125.02449	53.6
133.02959	0.7
137.02403	0.7
139.04005	1.7
145.02971	0.4
147.04546	0.8
147.15840	0.4
149.02460	6.1
150.03223	0.9
151.00391	20.4
151.03990	2.0
152.01176	2.4
153.01952	12.4
153.03111	0.7
161.02518	0.5
161.04588	1.9
163.00395	4.0
163.04030	0.5
164.01204	0.6
165.02032	0.4
171.04536	0.6
174.03197	1.4
175.04036	8.4
176.01163	2.7
177.01944	8.9
178.99875	8.2
179.05626	3.8
181.01468	0.8
188.04866	0.6
189.05632	3.0
199.04039	5.5
201.01926	0.9
213.05545	1.5
216.04341	0.5
217.05104	4.7
231.06683	0.5
241.05087	4.4
243.03049	0.8
257.04660	0.5
259.06165	2.4
275.05756	4.1
285.04105	45.6
303.05185	35.7
327.18042	0.6
341.05362	0.6
345.89984	0.4
405.21490	5.5
447.09485	1.0
465.10477	2.2
465.23276	0.9
472.09100	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03452	10.1
59.01380	39.2
60.99321	3.5
61.10986	2.1
69.11604	2.2
69.44426	2.2
71.01382	4.7
77.56024	2.0
79.03445	2.0
81.03468	4.1
83.01401	10.2
88.98812	27.2
89.02488	2.3
95.05029	4.6
97.02968	4.8
109.02968	38.2
116.71295	2.4
121.02963	5.0
123.04565	17.5
125.02454	50.8
132.02167	11.1
134.03763	23.7
135.04533	4.4
137.02448	36.4
139.04012	3.7
140.94937	2.1
145.02966	14.6
146.03752	4.2
149.02423	8.8
149.06081	5.4
151.00322	2.5
151.04025	10.6
159.04524	5.2
160.01689	47.2
160.05315	2.9
161.06087	5.0
164.01184	5.1
165.01918	19.6
166.25114	2.7
167.03520	2.6
175.04001	38.1
178.02736	9.8
179.03603	3.7
185.06139	2.7
187.03990	9.7
188.04828	3.1
193.05098	18.7
203.07120	16.7
205.05078	13.5
214.55296	2.4
227.07130	3.3
245.08238	17.1
271.06042	5.8
289.07236	100.0
299.09286	3.7
303.16202	4.1
465.27585	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	465.1408
Annotation	10-O-Benzoylcatalpol
Peak:m/z	Relative Intensity
53.16012	0.7
57.03465	1.2
58.24041	0.8
59.01390	26.5
61.98849	1.0
64.34644	0.8
65.00337	9.4
65.00625	1.0
65.03960	0.9
66.29217	0.8
69.03450	1.8
71.01379	7.3
72.99335	1.0
75.00888	0.7
75.37922	0.8
81.03453	1.6
83.01405	3.9
85.02974	2.1
87.00880	1.1
89.02444	7.3
92.10949	0.9
93.03440	0.9
93.07076	1.0
95.01360	1.3
95.05035	10.2
95.55116	1.0
95.82057	0.9
96.96056	1.2
97.02953	3.4
100.32487	0.9
101.02445	4.3
107.01403	11.3
108.02192	4.1
109.02967	29.1
109.06587	1.9
110.00108	1.0
111.04546	1.6
113.02473	3.1
118.42156	0.9
119.03508	3.9
119.05009	7.6
121.02959	26.8
122.03768	2.1
123.00907	1.9
123.04523	16.9
124.01667	6.5
125.02444	14.5
133.05045	3.6
134.03754	1.6
135.04541	36.2
137.02432	4.7
137.06097	31.7
138.03210	1.5
139.00392	1.6
139.04022	4.1
141.01961	1.1
147.04587	1.3
149.02461	3.9
149.06097	3.6
151.00398	46.8
151.04013	14.6
152.01166	18.5
153.01939	1.3
155.83961	0.9
161.02452	4.6
161.04649	2.0
161.06073	4.5
163.04030	3.9
164.01164	4.3
165.01868	1.0
166.02725	16.7
167.03526	7.9
169.01427	1.3
175.00391	1.4
178.99886	24.3
179.03416	4.3
179.05577	1.2
181.05099	1.2
187.04016	3.9
191.03542	2.0
192.00685	1.1
193.01433	7.5
197.13029	1.1
200.31245	0.9
214.02899	1.1
215.03522	6.5
227.03502	1.2
255.03014	1.5
257.04575	1.8
259.09784	100.0
260.10205	1.1
283.02451	1.7
285.04446	0.9
285.07663	10.3
289.07178	6.0
301.03613	21.5
303.05334	1.8
303.08771	18.0
303.12399	7.9
313.09363	4.6
318.03955	1.5
339.07257	4.2
405.21304	16.0
415.99094	1.2
465.14349	39.2
466.14438	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	20.3
61.98837	2.3
68.79530	1.4
69.03114	2.8
69.03459	52.4
69.03807	2.6
78.21804	1.2
78.95905	7.8
79.01909	6.8
81.03444	1.8
87.00880	2.1
95.01384	2.5
97.02939	30.9
105.24945	1.3
107.01401	42.8
107.02113	1.7
108.02173	8.4
109.02990	3.5
114.54745	1.3
117.07742	1.4
121.02958	3.0
123.00899	6.8
125.02441	85.0
130.99959	1.4
135.00877	19.1
136.01624	2.8
149.02435	2.3
151.00383	79.7
152.01164	10.5
152.99586	8.6
153.01978	11.4
153.02994	1.4
163.04001	2.9
177.01901	2.7
205.16013	1.5
211.13257	2.0
217.24432	1.4
242.05888	75.2
243.06604	19.0
264.82718	1.6
267.15997	12.6
285.07675	3.2
297.06198	2.1
405.11960	100.0
461.24844	2.0
465.07993	1.6
465.17950	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	465.1617
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77701	0.8
55.01894	6.7
57.03469	6.5
59.01395	100.0
59.36777	0.8
64.34988	0.9
71.01388	61.8
72.99303	1.0
73.02956	23.6
73.03349	1.1
79.76852	0.9
83.01399	17.3
85.02959	32.3
87.00890	2.1
87.04472	0.8
89.02451	16.0
95.01410	4.8
95.24163	1.1
96.96027	1.0
97.02962	4.1
99.00886	9.4
101.01783	1.6
101.02448	47.9
101.03087	2.1
103.04029	2.3
113.02454	26.0
119.03503	5.5
120.04030	1.1
125.02443	11.9
126.49375	0.9
143.03523	1.6
149.09734	6.1
151.00331	1.8
153.01945	1.1
159.02986	3.6
161.04556	25.3
163.06123	2.2
167.10768	3.7
179.05672	1.0
192.09479	0.9
199.46082	1.0
213.98653	1.1
229.99046	1.1
233.15749	1.1
247.08188	1.3
259.08258	38.5
285.04196	1.7
303.05142	1.7
399.44067	1.1
401.07077	1.2
405.14072	84.0
405.21231	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	465.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34775	0.4
56.16491	0.4
57.03450	9.7
58.00629	0.5
59.01386	26.0
63.02399	1.2
63.72747	0.5
65.00336	3.3
68.99847	0.6
71.01385	6.8
71.01657	0.4
75.06199	0.5
81.03468	0.8
83.01392	7.6
85.02972	1.3
87.00868	0.7
89.02451	9.1
93.03457	0.9
95.01387	2.3
96.96009	15.1
96.96961	0.7
98.95634	0.7
100.53388	0.5
101.02415	5.1
107.01410	7.5
108.02158	0.6
109.02954	3.8
111.00874	0.7
113.02457	2.8
119.03515	2.6
119.04980	0.7
121.02924	3.8
123.04525	6.2
124.01670	0.8
125.02444	100.0
133.02966	1.9
135.04530	1.3
137.02422	2.4
139.04022	2.8
145.91988	0.5
147.04462	1.1
149.02464	8.8
149.09705	0.8
150.03223	2.1
151.00383	35.0
151.04004	5.0
152.01160	4.0
153.00696	0.7
153.01947	19.1
161.02432	0.7
161.04570	0.9
161.06004	0.8
163.00394	6.1
167.10803	1.3
169.01395	1.2
171.04539	1.2
173.06155	0.8
174.03232	2.4
175.04024	14.2
175.05585	0.9
175.06160	0.9
176.01157	6.4
177.01938	17.3
178.99875	14.0
179.05650	2.1
181.01501	2.6
185.06081	1.0
187.04060	0.8
188.04733	1.1
189.05566	4.7
191.03415	0.6
195.03003	0.6
199.04042	7.3
201.01947	3.0
213.05600	2.6
215.03505	0.9
216.04338	0.7
217.05087	9.5
229.05347	0.6
231.06630	1.1
232.05347	0.5
239.03554	0.9
241.05070	7.7
242.02179	0.6
243.03017	0.8
257.04581	2.3
259.06125	3.1
275.05692	5.8
284.03271	2.6
285.04086	75.1
303.05154	61.6
303.07840	1.7
304.05267	0.7
315.07187	0.9
341.05243	3.0
403.46649	0.6
405.21466	8.6
465.10550	4.0
465.18158	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1042
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15917	0.9
54.07877	1.1
54.41615	1.0
56.28305	1.0
57.03450	13.6
59.01387	27.0
63.02400	2.6
64.42538	1.1
65.00336	11.1
71.01395	7.3
78.56287	1.2
83.01411	6.9
85.02960	2.4
89.02440	9.2
95.01418	1.8
101.02426	4.7
107.01414	18.6
108.02164	1.4
109.02969	4.8
113.02487	1.8
121.02943	4.8
123.00890	2.4
123.04546	2.6
124.01658	12.0
125.02453	100.0
127.15211	1.1
133.02957	10.8
133.05135	1.7
137.02489	2.3
139.00484	1.2
139.03999	2.0
143.04971	1.4
146.03737	1.8
149.02449	7.7
150.03212	2.5
151.00388	52.3
151.04050	10.1
152.01161	33.0
153.01901	6.5
165.01935	1.6
166.02721	18.2
167.03523	8.2
175.04018	7.4
176.01141	1.6
177.01915	8.0
178.99887	30.6
179.05589	1.7
187.03990	2.2
188.04796	1.8
189.05624	4.2
191.03572	2.6
192.00650	2.1
193.01462	12.8
193.05063	2.9
199.03995	2.0
203.80217	1.5
205.22766	1.2
207.14015	1.4
215.03534	7.3
217.05072	7.9
231.06636	1.8
246.82568	1.3
255.03114	1.6
257.04581	2.3
259.06210	9.0
266.98038	1.3
274.04822	1.6
275.05734	7.7
283.02420	1.4
285.04105	19.3
301.03625	22.8
303.05109	8.1
313.09326	2.5
318.03900	1.5
339.07306	2.1
405.21176	8.2
437.10776	11.3
447.09439	5.0
465.10425	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1043
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.7
59.01367	1.0
60.50868	0.9
63.02395	1.8
65.00336	22.6
75.53265	0.8
79.70229	1.0
80.64326	1.0
83.01389	10.6
89.36728	0.9
95.01424	1.7
104.77130	1.0
107.01398	30.1
108.27332	0.9
121.02894	1.3
123.00899	2.4
124.01659	14.0
125.02452	25.0
137.02486	1.0
139.04021	2.4
149.02477	9.9
151.00380	100.0
151.03964	16.6
152.01154	44.3
152.14069	1.0
153.01999	1.7
159.04553	1.9
164.14993	1.1
165.01941	3.9
166.02711	41.4
167.03545	12.8
169.01411	1.8
175.00351	6.9
175.03987	1.2
178.99876	46.0
180.73045	1.3
187.03992	6.2
191.03525	2.2
192.00613	4.9
193.01408	19.2
211.03857	1.8
214.02768	1.7
215.03539	17.1
227.03487	1.5
231.03067	2.4
233.04568	1.3
255.03078	2.1
257.04605	2.2
273.04010	1.3
283.02429	4.2
301.03589	51.7
310.56985	1.1
313.09338	10.0
318.03897	4.9
319.04544	2.4
339.07260	11.2
447.09445	1.9
465.10242	6.8
476.16434	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17140	0.5
57.03467	3.5
58.33484	0.6
59.01385	29.8
61.98840	1.2
63.02419	1.0
63.85667	0.6
65.00330	20.2
66.68039	0.7
71.01384	11.4
72.99357	0.9
73.02985	1.3
83.01390	10.2
85.02972	3.6
89.02448	14.4
92.10159	0.8
95.01437	1.0
95.05109	0.7
97.06580	1.2
101.02457	6.0
107.01394	31.7
109.02984	1.3
113.02490	3.3
116.92868	0.7
119.03540	3.8
121.02940	1.6
123.04533	14.1
124.01698	1.5
125.02444	13.3
130.06572	0.7
133.02931	6.8
135.04527	4.1
137.02432	1.1
139.07661	8.3
147.04555	1.4
149.02469	3.8
150.03224	15.1
151.00385	100.0
151.04015	37.8
152.01144	10.2
157.06639	1.1
159.04553	7.4
169.01439	4.4
173.05954	0.9
173.07242	4.6
175.04050	3.1
175.07640	1.6
176.01196	1.5
177.01888	1.3
178.99849	7.0
179.05644	3.8
185.06058	1.5
187.04033	1.0
191.13423	0.7
193.01515	0.9
195.13942	12.7
199.04024	4.3
199.07727	1.4
201.05635	7.9
211.04004	0.7
213.05637	0.8
217.05170	1.4
225.14906	1.3
241.05119	6.1
243.06648	56.7
249.92126	0.7
257.04495	1.1
273.39694	0.6
285.04089	55.1
303.05188	9.3
313.09460	1.3
339.07211	3.4
405.12170	13.2
405.21292	14.7
416.32990	0.8
465.10437	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	463.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	1.2
57.03459	1.3
59.01385	25.1
70.59582	0.6
71.01379	11.8
72.99313	0.9
73.02960	3.9
83.01418	3.8
85.02937	7.4
88.98792	0.8
89.02454	5.6
95.01360	1.0
101.02453	8.8
107.01378	1.4
109.02944	0.9
113.02466	3.5
119.03452	1.1
121.02974	3.0
129.09212	1.6
137.02458	2.6
140.13264	0.8
150.03238	0.9
151.00369	4.5
151.04004	3.8
163.60271	0.6
165.01849	1.0
169.01532	0.9
176.96489	0.7
178.99940	2.6
179.05655	0.7
199.03993	3.7
200.04311	0.9
201.04543	0.9
215.03516	1.7
217.04073	1.0
227.03479	3.8
241.14311	0.9
242.02209	3.8
243.02956	19.8
244.03284	15.4
245.03552	17.3
255.03065	6.3
256.03336	1.1
257.04477	1.3
258.04819	3.4
259.05148	5.8
270.01697	4.1
271.02457	24.3
272.02765	16.3
273.03082	18.3
283.19290	3.2
285.04031	5.3
286.04471	4.2
287.04681	9.5
288.05429	1.4
299.01984	4.3
300.02710	12.8
301.03418	18.4
301.10947	1.2
301.20300	11.5
302.03491	6.4
314.04526	6.9
315.04788	12.1
316.05029	26.7
317.05768	10.6
445.07925	4.0
463.11661	53.5
463.25565	100.0
464.11682	1.3
464.25659	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1414
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46287	0.2
59.01387	1.5
61.35557	0.2
61.98838	100.0
71.01383	1.1
73.02970	0.3
80.72621	0.2
89.02446	0.9
101.02462	0.5
119.03569	0.3
121.92788	0.3
129.98753	0.2
212.00639	0.2
284.11258	0.5
299.99121	1.1
300.99619	3.8
301.07376	0.2
302.00177	2.0
302.07639	0.5
404.15356	1.8
405.21457	0.5
464.05515	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	465.089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19342	0.7
59.01392	15.1
61.96274	1.1
64.69382	0.8
71.01390	31.0
72.00922	1.6
72.99303	6.4
73.02958	7.0
73.21165	0.8
78.95934	1.1
84.93583	0.8
85.02994	1.4
87.00861	2.7
88.98837	1.4
89.02441	8.0
94.02982	1.1
95.01400	3.6
96.96011	15.3
96.97010	1.5
97.02962	0.9
99.40142	0.8
101.02438	1.7
106.51720	0.8
107.01425	1.8
111.00898	4.3
111.52962	1.0
113.02471	1.7
115.00379	67.5
117.01937	8.9
117.60167	0.9
119.03513	1.3
123.00877	11.9
123.93994	0.9
124.01672	3.5
125.01508	1.7
125.02449	61.9
133.01439	100.0
133.05083	5.3
137.02419	1.8
138.02000	1.2
141.01917	1.4
147.73068	1.0
149.01009	1.7
151.00339	7.1
160.02522	10.5
161.04518	1.3
168.00681	9.8
169.01440	99.2
172.97629	3.4
211.02560	6.3
232.08305	2.2
242.98355	0.9
264.94965	1.0
271.04691	3.5
331.06763	99.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68178	0.4
54.83099	0.5
55.01901	0.6
57.03466	0.5
59.01384	10.2
66.43900	0.5
71.01386	4.8
73.02965	0.6
79.37543	0.4
83.01421	0.6
85.02968	1.8
87.00904	0.7
89.02430	3.4
101.02458	3.9
102.92180	0.5
109.02971	0.7
113.02448	1.8
119.03525	0.5
121.28182	0.5
124.01706	0.5
137.02495	2.3
150.03304	1.0
159.85387	0.5
161.04472	0.8
165.01949	1.0
165.12857	6.5
183.13916	100.0
227.12959	7.6
253.09299	2.4
271.02576	1.1
287.05600	1.1
316.02371	0.8
385.12866	0.9
417.25281	0.6
419.30423	0.8
420.40216	0.6
463.21909	48.9
464.22137	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2568
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48053	0.3
55.01897	2.0
57.03452	1.8
58.00616	0.8
59.01391	26.8
63.02404	0.5
65.00335	0.6
71.01392	13.6
71.05035	2.0
72.99314	0.8
73.02948	4.5
83.01402	4.3
85.02956	6.2
86.00081	0.4
87.00870	0.6
89.02444	5.6
94.96651	0.4
95.01366	0.9
95.08365	0.5
97.02949	0.4
99.00896	0.6
99.08182	0.7
101.02444	10.2
104.69983	0.5
107.01395	0.9
108.02220	0.7
111.00916	0.5
111.08231	0.4
113.02457	5.8
113.62136	0.5
119.03515	1.8
121.02950	1.6
125.02447	1.0
125.09711	1.0
129.09200	4.2
131.70035	0.5
134.02798	0.4
134.03734	2.9
136.01624	2.0
137.02438	1.0
149.02481	0.5
149.06070	2.7
150.03229	1.0
151.00374	3.9
151.04010	6.6
161.04581	0.6
161.18645	0.4
163.00383	0.6
165.01906	0.9
165.05568	3.8
187.04103	0.5
199.04021	1.1
200.04401	0.4
215.03577	0.6
217.04199	0.9
227.03308	0.8
228.03687	0.5
229.04134	0.6
237.18405	0.5
242.02249	1.0
243.02960	9.2
244.03337	6.7
245.03506	8.2
248.94601	0.5
255.02917	3.1
256.03284	0.8
257.04517	0.7
258.04913	0.9
259.05161	1.7
270.01703	1.0
271.02493	14.1
272.02765	7.5
273.03003	9.8
283.09732	1.1
283.19205	3.0
285.03961	1.9
286.04517	2.7
287.04688	4.9
288.05438	0.8
299.01950	0.9
300.02704	8.8
301.03394	11.0
301.07025	0.7
301.07611	0.6
301.10767	6.4
301.20227	11.9
302.03287	1.8
314.04477	3.2
315.04810	5.0
316.02145	0.8
316.05023	10.4
317.05640	4.6
336.27869	0.5
370.60535	0.5
403.27542	0.8
445.07614	3.2
445.24652	0.9
463.11719	22.7
463.25562	100.0
464.25723	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	463.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
55.02393	1.2
59.01391	100.0
61.80158	1.4
71.01400	14.7
78.95918	5.9
85.02972	2.5
87.00891	2.0
88.45561	1.5
89.02440	16.5
96.96011	79.5
96.96973	8.9
101.02428	3.3
113.02455	6.9
119.03482	7.6
179.05640	7.2
241.10959	2.2
305.16092	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2194
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61035	0.3
55.01894	0.5
57.03456	0.4
58.34904	0.3
59.01391	10.8
65.00340	0.7
68.44143	0.3
71.01384	4.1
73.02961	0.8
74.46491	0.3
80.02682	2.0
80.92524	0.4
81.03481	0.6
83.01395	0.9
83.05036	6.1
84.02180	1.6
85.02954	2.1
89.02467	4.1
94.23898	0.4
95.05022	0.7
95.63490	0.4
101.02448	4.8
107.01409	2.8
109.02949	0.5
112.82572	0.3
113.02501	1.7
119.03490	1.0
121.02972	0.5
134.03755	0.6
135.08223	0.5
137.02437	0.4
139.03532	0.5
149.06096	0.9
151.00381	7.8
161.04552	0.9
163.00385	0.7
163.11287	5.2
164.01164	0.9
165.12866	3.7
168.03035	8.8
169.03419	4.2
178.99902	1.6
181.12343	0.6
191.10870	2.0
195.14001	0.4
199.13336	0.6
209.11874	100.0
210.12262	0.6
210.42244	0.4
211.04027	0.4
227.03622	0.8
227.12935	15.9
241.14493	1.9
243.03038	2.9
245.04640	0.5
253.09332	8.5
255.03044	7.1
257.08282	0.5
271.02518	15.0
272.02942	0.5
287.02158	0.5
299.01855	0.4
300.02792	18.2
301.03561	8.1
301.07242	8.3
316.02328	1.6
403.20078	0.6
463.08139	10.6
463.14395	1.0
483.84460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19135	0.6
54.73916	0.6
55.26197	0.7
58.43061	0.7
59.01390	25.0
60.99345	1.4
61.70204	0.6
62.09919	0.6
71.01396	7.8
72.99312	0.9
73.02971	1.3
80.02698	1.0
81.03467	1.2
83.05045	6.9
84.02190	1.6
85.02973	3.8
87.00894	1.8
88.98804	11.5
89.02440	5.5
95.01395	0.7
101.02441	4.9
113.02480	3.4
119.03526	1.8
144.78113	0.8
151.00380	3.2
161.04579	1.5
163.11255	4.8
165.12883	1.3
178.99838	1.5
179.07140	0.9
191.10857	0.9
192.00597	0.8
204.04347	0.9
209.11862	100.0
227.03397	0.8
227.12907	13.7
241.14467	0.9
243.03000	1.5
253.09299	11.0
255.02986	3.2
257.08121	2.8
271.02548	14.7
283.96384	0.9
291.53195	0.8
295.11072	0.7
299.01877	2.6
300.02850	9.1
301.03479	5.6
301.06662	1.1
316.02213	6.8
317.02765	1.0
463.08517	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	463.2113
Annotation	Roeperanone
Peak:m/z	Relative Intensity
59.01385	12.0
61.98842	3.3
71.01405	1.1
78.95901	100.0
89.02476	1.0
96.96958	16.8
101.02547	0.7
114.39314	0.7
118.21855	0.7
125.62230	0.6
150.03220	1.0
152.99594	1.0
175.84164	0.6
183.26987	0.6
205.69429	0.7
213.05617	3.0
242.05876	2.6
252.92790	0.6
257.08276	1.1
259.02289	10.2
271.02448	1.1
285.04172	1.2
301.07205	3.6
301.15857	5.6
463.21109	35.7
463.27640	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.85817	0.9
59.01394	4.9
71.01408	1.4
78.40925	0.9
80.94536	1.0
89.80378	0.9
108.02188	12.8
121.03002	1.5
122.03726	2.1
123.04522	4.9
125.02470	1.7
134.03752	41.1
136.01653	27.0
137.02472	1.6
139.04074	1.1
145.04178	1.1
149.02455	5.8
149.06097	32.1
150.03252	27.7
151.04025	100.0
165.05582	72.4
229.64215	1.0
265.05054	1.3
271.02441	1.1
296.61066	1.1
301.07416	2.3
301.10855	56.9
304.93457	1.3
403.27313	1.9
404.61118	1.2
463.25806	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	463.1842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.6
57.03464	3.0
58.00600	2.0
59.01387	100.0
61.98839	1.0
65.00338	0.6
68.90784	0.6
71.01385	28.6
71.01778	1.1
72.99323	1.2
73.02963	4.7
75.00882	5.4
75.01237	0.6
80.38757	0.6
83.01377	4.0
85.02959	9.9
85.39164	0.6
87.00876	2.1
88.98829	3.5
89.02446	26.2
93.03455	0.5
95.01392	2.1
96.96001	7.3
98.87332	0.5
99.00896	2.1
101.02444	20.7
102.14204	0.6
104.47660	0.5
105.11845	0.5
107.01418	1.1
113.02457	9.7
116.19005	0.5
116.92854	0.9
118.06633	0.8
119.03511	9.8
121.40337	0.5
123.04502	1.0
125.02447	3.3
131.03513	0.5
135.04562	3.6
143.03488	1.1
149.02467	0.7
150.03194	0.7
151.00360	2.6
153.01965	0.9
159.03020	2.3
160.04028	1.1
161.04770	26.6
162.05605	3.5
164.03535	0.7
165.05577	0.8
175.02754	0.8
177.01952	0.6
179.05605	3.6
179.06999	0.6
182.17171	0.6
192.02989	2.0
193.03836	11.8
197.08102	0.6
216.00500	0.5
241.07266	2.2
283.02573	2.1
283.10916	33.5
283.14005	1.2
292.67352	0.5
299.99158	12.5
301.00000	5.5
373.14178	2.6
403.15292	5.9
403.19855	3.4
463.05310	5.3
463.17142	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31531	1.0
55.01889	1.3
57.03455	2.4
58.93466	1.1
59.01383	23.7
59.94701	1.0
65.00330	1.3
70.98857	1.2
71.01398	5.6
71.50045	1.1
73.02958	1.6
75.00886	1.1
77.37502	1.3
83.01391	2.0
85.02962	2.8
85.51267	1.2
89.02444	2.2
89.63897	1.2
93.03458	7.3
101.02444	4.4
106.04267	1.6
107.01398	1.6
109.02970	2.0
113.02492	2.0
119.05034	18.8
121.02926	10.5
121.06626	9.8
122.03738	19.8
123.04520	1.8
125.02444	12.8
135.04524	42.7
137.02475	10.3
145.02939	3.0
149.02461	2.4
150.03218	3.0
151.00380	10.1
151.03966	1.9
157.57820	1.3
159.04483	1.5
163.00441	1.9
165.01952	8.2
178.99873	6.9
203.07159	1.4
242.09525	1.8
243.03053	1.8
253.04915	1.3
255.03027	4.8
257.11859	100.0
271.02463	16.0
271.06128	6.6
289.07187	6.8
300.02759	16.1
301.03635	26.1
301.07083	2.8
301.10782	25.5
301.20163	5.9
316.02350	1.5
385.12869	2.4
403.27396	2.8
445.07834	7.6
463.09058	7.4
463.16522	1.2
463.18942	1.5
463.25540	19.9
463.31714	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	463.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18223	0.1
55.01897	0.9
57.03466	0.7
57.22851	0.1
58.00606	0.2
59.01385	12.8
61.98856	0.4
69.03460	0.2
69.11059	0.1
69.11860	0.1
71.01381	5.8
71.51015	0.1
72.99338	0.2
73.02937	1.4
74.00605	0.1
75.83923	0.1
81.99624	0.1
83.01414	1.0
83.05055	0.2
85.02959	2.1
87.00880	1.3
89.02441	5.0
95.01414	0.6
97.02941	0.2
97.06569	0.3
99.00914	0.3
101.02442	6.3
101.03087	0.3
108.02212	0.3
109.02981	0.7
111.08179	0.8
113.02455	3.0
119.03526	1.5
121.02965	0.7
122.12049	0.1
123.04507	1.6
125.02435	0.3
131.03537	0.2
133.05084	0.2
137.02472	0.6
143.03523	0.3
147.04561	1.4
150.03174	0.1
151.00426	0.6
159.04514	1.3
161.04555	1.8
165.02060	0.2
165.12854	7.7
179.05583	0.2
181.68250	0.2
183.13914	100.0
197.15445	0.2
209.11861	1.0
225.05646	0.2
227.12946	6.3
234.27406	0.2
235.08252	0.6
241.14413	0.3
250.06473	0.2
253.05347	1.1
253.09326	4.9
255.02963	0.2
262.89752	0.2
265.08667	0.2
267.06369	0.2
268.07419	3.0
271.02542	0.6
283.09689	1.8
301.03726	0.2
301.07431	0.3
301.10855	7.1
301.20270	0.3
316.02087	0.2
339.20065	0.2
445.21075	0.3
463.21890	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1618
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.2
55.82615	0.2
57.03457	0.3
58.84754	0.2
59.01382	5.1
59.11005	0.2
61.52062	0.2
65.00340	0.2
71.01377	3.2
72.99329	0.8
73.02964	1.3
82.01792	0.2
82.64803	0.2
83.01401	0.5
85.02952	2.4
88.98794	0.2
89.02458	1.2
91.05524	1.1
92.10730	0.4
93.03448	7.1
101.02454	1.3
106.04250	2.0
107.01400	0.5
108.02196	0.3
109.02967	0.9
113.02466	1.2
119.05021	20.5
119.35912	0.2
121.02945	7.4
121.06590	7.0
122.03733	21.1
134.03737	1.0
135.04523	29.7
136.05278	1.3
137.02444	0.4
137.06093	0.9
149.06071	1.4
151.00381	2.5
151.07674	1.2
152.01202	0.9
161.02461	1.0
161.04529	0.2
163.23189	0.2
178.99855	1.9
179.05649	0.4
181.34775	0.2
193.01218	0.2
203.11847	0.2
227.03438	0.2
242.09508	1.6
243.02864	0.5
255.03021	1.3
257.11856	100.0
258.12259	0.9
271.02496	3.3
283.09775	1.1
299.05731	0.3
300.02744	3.5
301.03558	5.4
301.10825	1.8
316.02408	0.7
317.03024	1.3
319.32956	0.2
391.09052	0.2
403.27112	1.1
445.07761	1.9
456.45929	0.2
463.16174	34.6
463.25342	2.1
464.16147	0.2
476.41867	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0891
Annotation	SCHEMBL1155662
Peak:m/z	Relative Intensity
55.01881	0.6
57.03460	1.4
59.01384	24.9
62.41322	0.5
62.69901	0.4
63.02393	5.3
65.00329	7.3
71.01376	7.9
71.05025	0.6
71.30994	0.5
71.58976	0.5
72.99314	0.9
73.02937	1.2
73.45879	0.5
83.01383	7.7
85.02949	4.1
85.06620	0.6
89.02452	5.6
91.51734	0.5
92.10718	0.7
93.03464	2.6
93.44659	0.6
93.89758	0.6
101.02441	6.3
105.86684	0.5
107.01392	18.0
109.02981	2.9
113.02453	2.2
115.07653	1.0
119.03475	0.7
121.02947	15.7
124.01661	0.8
125.02455	1.0
129.09218	2.5
131.66998	0.5
137.02472	2.7
139.04050	0.6
148.01671	0.6
149.02422	2.0
151.00377	69.0
152.01152	0.8
155.66438	0.5
161.02385	0.7
163.00366	1.1
164.01109	0.9
165.01932	1.3
169.01421	5.9
178.98409	1.2
178.99878	25.7
187.04033	0.7
193.01396	1.1
203.03589	0.6
211.04175	0.9
227.03534	1.2
229.05017	1.2
241.14267	0.9
243.02928	4.4
245.04521	1.1
255.02991	6.4
271.02493	12.4
273.04138	4.6
283.02411	0.9
283.19125	1.3
299.01981	0.9
300.02762	15.4
301.03574	100.0
301.20151	11.1
302.03815	0.8
316.02225	1.3
343.21176	0.6
403.27423	1.3
445.07935	7.7
463.08936	29.0
463.25574	52.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1041
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.63393	1.9
59.01390	4.9
68.46137	1.9
78.63211	2.0
78.95908	5.1
79.39772	2.0
82.55547	2.1
82.61359	1.9
107.01450	2.4
130.18286	2.3
133.02936	2.5
151.00381	11.0
152.99608	4.8
158.41344	2.8
163.18396	2.6
192.27719	2.4
192.36943	2.7
227.03467	3.9
255.03004	100.0
256.03802	36.0
261.26260	2.7
271.02460	3.2
283.02548	70.3
284.03302	76.9
285.04138	26.4
463.09174	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	463.1254
Annotation	3,5,7,4'-Tetrahydroxy-6-methylflavanone 7-glucoside
Peak:m/z	Relative Intensity
53.48403	0.7
55.01890	0.8
56.66048	0.9
56.85503	0.7
59.01376	8.3
61.98846	1.1
65.00328	3.4
71.01387	1.8
77.03978	1.5
79.01886	13.7
83.01382	0.8
87.00893	1.4
95.01337	0.8
97.02959	3.8
109.02988	1.8
121.02947	23.9
123.04569	1.0
125.02451	2.0
135.04523	96.9
137.02435	3.6
139.04034	4.6
150.03258	3.5
159.14644	1.0
161.02524	1.2
161.27255	0.8
165.01935	100.0
167.03441	1.1
183.02864	1.1
206.31247	1.0
250.60240	0.9
253.09209	0.8
257.39807	1.0
271.02521	2.0
287.05585	1.0
299.02191	0.9
300.02798	1.1
301.03894	1.9
301.07193	55.5
301.10275	2.0
316.02261	1.5
385.12888	1.2
463.12848	17.8
463.32562	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64290	1.8
54.67900	1.7
57.03481	2.5
59.01394	37.4
61.98852	8.0
65.00350	4.0
69.99725	2.0
71.01404	8.9
71.74072	1.9
75.00885	12.6
83.01387	2.5
89.02446	4.0
92.49033	2.2
97.02982	2.3
101.02457	4.4
107.01385	4.2
109.02977	3.0
111.04555	2.8
112.98014	2.4
121.02993	4.2
125.02460	2.8
125.06087	2.4
132.31259	2.0
137.02467	4.4
138.06885	2.7
149.02448	18.7
151.00372	25.0
151.07645	3.5
152.08244	2.2
164.01114	2.8
177.01949	2.2
178.99846	8.5
197.17175	2.0
199.13409	3.4
201.12888	3.0
209.11864	12.7
214.02643	3.4
215.03519	4.9
219.13896	4.3
227.03442	4.5
227.12889	13.1
231.03021	3.3
241.05116	3.8
241.08734	3.8
241.14474	2.4
243.03029	15.0
255.03087	20.6
259.02548	10.8
263.12930	10.0
265.14426	11.0
271.02563	56.6
287.01956	21.7
300.02783	69.6
301.03580	76.9
315.01666	15.3
316.02258	50.9
317.03119	8.3
330.03818	23.5
331.04706	8.4
463.08862	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	463.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
57.34258	1.0
63.02409	0.8
65.00331	0.9
80.87911	0.8
83.01395	1.3
87.60350	0.9
89.79436	1.1
96.79355	0.9
106.67477	0.9
107.01398	6.9
108.02166	1.5
109.02970	1.3
111.55348	0.9
121.02996	2.0
125.02415	1.1
135.00917	1.4
137.02414	1.4
148.01591	1.5
151.00404	19.4
152.01094	1.0
160.32452	1.0
163.00366	4.1
164.01196	1.9
178.99838	10.7
203.03564	1.2
211.04111	1.3
214.02765	1.8
215.03572	1.1
227.03528	4.2
241.08717	32.1
242.02295	1.5
243.02998	15.5
254.02226	2.3
255.03015	29.3
259.02560	2.2
270.01715	2.1
271.02512	87.6
272.03348	1.9
287.01990	10.7
299.02020	2.1
300.02786	100.0
301.03564	34.6
315.98834	1.6
316.02280	33.0
317.03101	11.8
318.05188	1.0
463.08914	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64113	0.5
63.02401	0.8
65.00333	3.0
72.14108	0.7
72.31866	0.6
80.05434	0.7
88.62153	0.7
107.01407	3.3
108.02177	2.7
109.02938	2.7
121.02924	2.8
148.01662	1.4
151.00363	13.3
163.00369	3.8
164.01202	0.9
167.46973	0.7
178.99883	6.1
211.04059	1.4
215.03571	0.9
226.02736	1.6
227.03558	4.9
228.74323	0.9
229.04936	0.8
243.03014	18.2
245.04668	1.3
254.02223	1.7
255.03030	34.4
271.02515	77.9
272.03229	3.1
299.02008	1.0
300.02792	100.0
301.03568	39.4
463.08936	53.3
464.09277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3641
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
52.25083	1.4
54.83479	1.3
74.34982	1.5
92.10712	1.8
131.61266	1.5
132.73232	1.7
169.92178	1.6
393.90149	1.6
413.37418	2.3
443.35440	7.2
461.36493	100.0
462.37134	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	461.3643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47696	0.5
58.59661	0.6
59.07529	0.6
84.31866	0.6
96.99345	0.6
130.40279	0.6
135.08183	5.0
149.06047	0.9
150.06866	1.2
163.07661	100.0
173.32188	0.6
176.08479	0.8
200.08998	0.6
446.34106	1.6
461.36472	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.0891
Annotation	Myricitrin
Peak:m/z	Relative Intensity
54.82666	0.3
59.01385	11.7
59.01651	0.6
60.10580	0.3
63.02417	0.7
64.34589	0.4
65.00350	1.9
68.99834	2.3
71.01373	2.6
73.02961	0.5
83.01406	1.6
85.02971	0.9
89.02456	2.2
94.31559	0.4
96.96052	0.5
101.02447	1.7
107.01396	3.3
108.02197	0.8
109.02911	0.7
110.00121	1.9
111.00915	0.6
113.02463	0.6
116.92875	2.2
119.01413	0.5
123.00799	0.4
124.01653	0.7
131.05058	0.7
133.02959	0.7
135.00893	0.7
136.76047	0.4
137.02448	2.2
139.00386	2.8
140.70052	0.3
143.05003	0.8
145.02988	0.4
147.04547	0.4
149.02457	0.9
151.00389	12.8
152.01126	0.6
155.05055	2.0
159.04527	1.7
161.02440	3.1
161.05917	0.4
163.00391	0.8
164.01158	8.8
165.99118	0.4
166.47375	0.4
166.99780	0.5
171.04550	1.8
173.02391	0.6
175.04037	0.8
177.01971	0.6
177.28778	0.4
177.66444	0.4
178.99913	2.9
183.04501	2.7
185.02449	2.1
187.00410	0.9
187.03969	0.7
189.01880	0.4
199.04018	6.8
201.01962	16.1
201.03734	0.8
203.03548	9.9
210.03081	0.4
211.04053	0.8
215.03508	1.5
227.03534	9.4
229.01460	0.8
231.03011	7.6
241.14455	0.6
243.02994	9.5
247.93236	0.4
255.02995	4.9
271.02524	100.0
272.02875	2.2
287.01950	2.0
298.01352	0.8
299.02014	95.7
300.02673	6.2
301.03653	3.8
301.06674	0.5
316.02271	9.4
317.03040	4.7
403.19647	1.5
404.93036	0.5
463.08987	11.4
463.22034	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	96.5
61.98859	8.3
69.03483	3.5
69.06157	1.5
70.53046	2.2
71.01387	62.7
73.02954	14.8
75.00865	2.3
78.95926	7.4
83.01421	3.0
84.91493	1.8
85.02959	7.6
88.98832	2.7
89.02445	100.0
97.02967	12.3
97.03582	1.6
99.00883	21.5
101.02435	26.6
101.14487	1.7
113.02467	1.7
120.38079	1.9
124.54480	2.1
125.02443	30.7
131.03540	10.4
149.04547	29.6
152.56421	1.8
152.99583	4.4
153.03157	2.0
156.06320	1.7
159.04663	2.1
161.04590	2.1
167.10783	27.3
191.05556	10.9
233.06633	12.9
257.30164	1.9
284.03378	4.2
293.08829	23.0
299.05637	3.4
327.21689	3.4
425.32938	2.1
488.92770	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	24.6
60.99308	16.4
61.98864	0.9
71.01398	5.4
73.02939	0.9
83.01427	0.9
85.02975	1.7
88.98803	100.0
89.02448	4.5
101.02476	3.8
109.02957	0.9
109.06589	1.4
113.02441	2.4
125.02425	1.2
126.96461	1.0
149.02409	1.5
150.60506	1.0
151.00446	1.2
207.10291	5.2
219.34276	0.9
225.11276	3.8
255.03012	54.0
256.03561	5.3
268.03946	2.1
269.04501	13.0
271.02585	1.1
281.04575	1.7
283.02524	35.4
284.03317	23.4
285.03897	1.8
297.00912	2.1
297.04071	39.4
298.04855	36.1
299.05621	45.1
299.09006	1.4
302.87970	1.0
324.32657	1.1
461.11041	37.0
461.23587	6.7
462.11438	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82847	0.7
55.01886	5.8
57.03459	5.5
58.00600	1.4
58.05964	0.7
59.01387	83.1
61.35735	0.7
64.34692	0.6
65.93987	0.6
69.03469	3.3
70.91787	0.9
71.01383	57.2
72.99329	3.2
73.02952	18.3
73.03345	0.8
75.00869	0.7
76.94415	0.8
83.01388	13.6
85.02956	28.4
86.00134	0.7
87.00898	4.7
88.98830	0.8
89.02447	28.4
89.02998	1.0
93.03404	0.9
95.01390	3.8
96.96005	5.7
97.02940	5.7
99.00885	6.0
101.02444	44.2
101.03083	1.7
103.04034	0.8
108.02206	1.0
109.02966	1.8
111.00876	7.9
113.02467	16.5
115.04026	1.4
116.92828	1.1
120.39114	0.8
121.02953	1.3
122.02505	0.8
123.00900	3.5
123.04511	1.4
124.01649	8.8
125.02452	33.7
131.03496	14.2
137.02457	2.9
138.01953	1.4
143.03510	3.2
147.06659	5.1
149.04578	4.9
149.99609	15.2
151.00401	1.7
151.11295	0.9
152.02293	13.7
153.03030	7.5
159.03030	1.8
161.04578	16.8
165.09206	1.2
167.03465	1.9
167.04698	1.3
168.00642	24.3
169.01437	3.4
179.05653	0.7
179.10765	1.0
191.05696	1.0
191.10774	1.0
193.06139	1.8
195.04147	7.4
209.05682	1.3
219.04102	5.0
233.06717	3.0
263.03091	1.1
269.10330	20.2
313.05649	3.7
401.14597	100.0
461.13373	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47310	1.5
55.01897	1.8
57.03456	27.1
59.01389	77.2
69.94137	2.0
71.01384	43.9
73.02962	8.3
73.59391	1.8
74.74948	2.1
83.01409	2.8
85.02950	19.4
87.00888	3.5
89.02446	27.3
93.03498	2.2
94.19653	1.9
96.96011	16.1
99.00872	2.9
101.02441	18.3
103.00381	2.1
105.88521	2.1
108.02187	11.5
109.02971	10.5
113.02447	17.8
119.03521	9.0
119.05106	2.2
123.04550	17.5
123.08158	9.8
135.04533	3.7
148.05292	2.7
151.07661	43.5
152.01187	9.3
153.01953	4.9
161.04585	14.3
161.09698	15.2
163.07675	31.2
165.09195	9.5
167.03517	32.3
173.09808	3.2
175.11253	2.2
177.09218	9.5
179.05623	9.2
179.10800	27.3
184.25098	2.2
188.08475	15.7
203.08954	4.0
203.10825	98.8
221.11871	100.0
306.00470	2.1
315.07184	11.0
329.09079	4.2
383.17184	10.3
401.18158	8.8
405.25211	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	461.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.88116	0.3
57.03455	0.4
57.15305	0.4
57.26115	0.4
59.01393	6.4
60.99319	15.7
61.00207	0.4
61.98854	0.7
74.00751	0.4
81.03439	0.6
88.98809	100.0
89.02449	0.5
110.40730	0.5
123.04526	17.3
125.02419	0.5
132.19907	0.4
151.00453	0.6
165.09244	0.5
177.04829	0.4
206.50954	0.5
209.08238	4.5
239.16467	0.7
242.02193	0.8
243.02939	3.4
257.04480	0.8
270.01642	1.0
271.02652	5.0
285.03961	2.4
299.01852	0.5
299.09335	6.9
300.02710	0.7
314.04373	4.5
315.05200	0.5
384.14301	0.5
401.21576	0.6
458.14301	0.6
461.10812	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	461.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03470	7.6
59.01392	46.7
61.98846	1.7
71.01390	15.5
72.99342	7.8
73.02961	8.4
83.01405	2.0
85.02973	3.8
87.00842	2.2
89.02455	9.3
95.05022	2.3
97.02975	4.1
97.04342	1.8
101.02461	4.8
107.05101	1.8
109.02985	8.3
110.55663	2.1
111.04536	4.9
113.02457	4.4
113.06137	5.0
119.03497	3.0
122.03757	4.4
123.04518	2.9
123.08151	2.3
124.01705	2.0
125.02440	12.8
125.06077	11.4
127.07725	2.0
136.05266	3.2
136.43950	2.1
137.02467	4.1
138.06883	15.6
139.07649	19.3
145.02943	3.8
148.66789	2.3
151.00470	2.3
151.04103	2.6
151.07652	44.4
152.04810	3.4
152.08438	22.6
153.09241	11.5
161.09782	2.5
163.07669	3.5
201.12889	15.0
203.10812	4.5
204.11551	21.0
219.13953	46.6
245.11858	2.6
245.35013	2.2
257.00888	3.4
263.12918	100.0
270.01898	2.9
271.02335	2.3
271.06299	2.2
285.03995	2.6
289.07169	8.9
316.02206	4.1
356.59195	2.1
384.48141	2.2
461.06870	8.0
461.15671	10.3
461.24304	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	461.1097
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
51.22369	1.0
57.03457	1.5
59.01382	20.3
63.02397	1.0
65.32919	0.9
69.20659	0.9
71.01389	2.2
72.99345	0.9
75.04089	0.8
88.98817	5.7
89.02444	1.8
101.02449	1.1
105.44744	0.8
109.06654	1.2
125.02443	5.5
137.02422	1.5
151.00380	2.3
187.04051	1.3
207.10289	4.1
225.11359	1.3
227.03581	1.1
255.03015	100.0
256.03711	6.3
268.03680	3.5
269.04584	28.4
269.07446	1.4
281.04745	2.3
283.02509	60.3
284.03296	44.3
285.03970	1.8
289.07333	1.2
295.02463	1.2
297.04080	71.8
297.07477	2.4
298.04858	63.8
298.08273	2.2
299.05655	87.7
322.06433	1.1
341.06726	4.2
461.11017	68.0
461.24158	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21509	0.6
58.84149	0.6
59.01385	10.1
60.99325	3.1
61.98856	1.4
62.42992	0.7
75.88809	0.7
80.98269	0.6
87.00877	0.9
88.98812	16.6
92.09441	0.8
92.10068	1.0
118.11913	0.7
118.30168	0.8
123.04520	0.8
125.02484	0.8
151.00307	1.1
168.02419	0.8
187.04056	1.3
199.04005	8.5
201.01978	1.5
203.03523	1.5
215.03540	6.0
227.03526	6.6
242.02234	15.9
243.03012	64.8
244.03546	0.9
257.04593	16.5
270.01764	16.2
271.02536	67.2
285.04102	33.7
285.07333	1.2
286.04861	9.2
299.02121	10.2
300.02832	7.2
314.04395	67.8
315.05078	7.2
342.91583	0.8
381.24948	0.7
398.85468	0.8
458.19467	0.8
461.11026	100.0
462.11209	1.2
483.35858	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1101
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75942	0.9
58.51920	0.9
59.01387	22.8
61.98840	5.4
71.01397	4.2
77.03991	1.5
79.01904	7.4
87.00874	1.3
89.02436	1.6
95.05031	1.8
97.02927	1.7
97.06741	1.0
101.02467	1.5
104.49725	1.1
107.77641	1.1
108.02167	2.6
108.16801	1.1
108.23106	1.1
109.02954	5.0
119.03505	1.2
121.02952	13.4
122.03738	2.0
123.04530	87.7
133.02864	1.3
135.04512	1.7
137.18193	1.2
148.01656	1.3
149.02446	2.5
153.12515	1.3
165.01936	21.3
169.32047	1.1
177.01945	5.8
178.02626	1.6
192.26897	1.0
193.01419	6.3
195.13698	1.1
196.00046	1.1
198.30475	1.2
225.05556	2.6
228.68892	1.2
239.03090	1.2
239.12923	1.3
240.04514	1.8
241.05122	4.7
257.04623	17.4
259.06122	2.6
269.04559	30.7
285.04089	63.6
297.04230	1.4
299.09305	33.6
314.04404	100.0
315.05167	88.8
354.80978	1.3
417.28244	1.3
419.97955	1.2
461.11063	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0945
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32615	0.4
55.01892	0.4
57.03465	0.7
59.01386	7.9
66.59209	0.4
71.01384	4.5
73.02955	1.1
78.95918	1.8
79.73349	0.5
81.03475	0.5
82.38841	0.4
83.01398	2.2
85.02968	3.0
88.98823	0.5
89.02491	0.9
93.03477	1.1
95.01413	2.6
96.96012	46.9
96.96917	3.2
97.97641	0.4
99.00919	0.7
101.02439	5.1
108.02184	81.6
109.02967	31.3
113.02485	0.9
116.92853	0.8
119.03549	0.5
119.05035	0.8
121.02953	0.9
123.00914	1.2
123.04498	0.9
127.00381	1.9
133.01405	0.6
133.02979	0.7
135.04501	0.9
145.01474	1.1
151.04015	2.7
152.01170	83.3
153.01952	26.4
161.00089	0.4
163.03990	3.3
165.01991	3.6
177.01915	0.8
179.03403	0.5
181.05214	0.6
195.02989	2.0
209.04654	1.0
210.05400	0.9
224.06679	0.5
225.04207	0.5
225.07768	0.9
231.36154	0.6
285.10184	0.5
315.07294	100.0
316.07489	0.9
329.09308	0.9
371.81314	0.5
401.18158	0.8
461.09427	9.9
461.15643	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87885	0.7
57.03476	0.7
59.01394	19.3
61.98847	0.8
63.02423	1.5
63.55265	0.7
65.00336	4.6
71.01385	5.9
73.02940	1.5
83.01408	2.9
85.02957	1.2
89.00320	0.9
89.02443	3.3
96.96031	3.4
97.36795	0.8
99.00906	0.9
101.02442	1.3
107.01381	5.3
107.05005	1.1
109.02943	0.7
113.02467	0.8
117.03461	0.8
119.05013	0.9
123.00876	3.2
123.04470	1.1
125.02432	1.8
129.03519	0.7
133.02983	0.9
135.00882	12.2
137.02431	2.9
141.03450	1.2
143.05011	1.7
145.03027	1.5
148.35693	0.8
151.00380	19.5
152.01175	1.5
157.03026	1.2
159.00822	1.0
159.04472	1.1
161.02493	1.3
163.00363	4.6
163.03958	0.9
164.01131	4.0
169.01556	2.2
169.02950	6.8
171.04500	4.1
173.02434	3.0
175.04045	2.8
177.01942	1.2
178.99866	15.2
185.02469	3.1
187.03966	1.8
189.01959	1.4
191.03535	1.0
193.01422	3.3
197.02478	6.9
199.04021	3.6
201.01953	5.9
203.03444	1.2
213.01953	7.0
215.03485	5.6
217.01398	5.6
219.02956	0.8
225.01978	5.0
227.03526	0.9
229.01416	1.1
231.02945	1.1
239.12854	1.1
241.01431	8.0
242.02193	0.9
243.02972	9.9
245.00879	1.4
259.02420	5.8
269.00943	100.0
270.01685	1.5
271.02432	3.4
286.01303	0.7
286.98941	1.2
287.02011	28.1
289.44739	0.8
293.09042	1.3
297.00439	93.9
298.01062	3.3
299.02048	7.9
315.01480	22.1
316.02286	3.4
317.02875	2.8
325.59958	0.9
401.18484	1.0
461.07288	29.2
472.06235	0.9
477.18002	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.0577
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82496	0.3
59.01388	7.1
59.79901	0.3
71.01399	0.7
71.83717	0.4
72.99310	14.2
72.99688	0.7
73.02965	0.4
74.26229	0.3
75.00878	0.8
76.13596	0.3
84.79374	0.3
85.63285	0.3
87.00879	23.3
90.04396	0.4
103.00375	7.0
105.01930	1.5
105.29489	0.4
107.04987	0.6
112.98814	0.6
114.99672	0.4
115.00309	2.9
118.27383	0.4
120.19080	0.4
130.99861	1.9
131.29559	0.4
132.24905	0.4
133.01428	4.1
134.03720	3.5
135.04524	55.2
149.00923	100.0
163.02406	0.8
164.23793	0.4
168.07143	0.4
169.99271	0.4
173.65271	0.4
179.03503	48.3
180.03616	0.4
216.90227	0.4
225.82048	0.4
311.04114	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	461.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23340	1.0
53.52961	1.2
57.03457	1.8
59.01383	33.3
63.02399	5.5
65.00333	5.5
68.69665	1.2
71.01386	8.5
72.99303	2.1
73.02942	1.9
83.01369	10.7
85.02958	6.0
89.02464	6.9
93.03452	7.7
95.01398	1.6
97.02961	1.5
100.46124	1.5
101.02448	8.5
105.03461	2.6
107.01394	21.2
113.02445	3.3
119.05024	75.8
121.02979	10.4
125.02438	12.7
133.02945	3.3
137.02448	5.5
145.03000	2.0
147.04546	1.6
149.02467	19.0
151.00381	81.5
151.04013	2.1
161.02458	6.4
163.03914	1.6
163.11275	1.5
169.01411	13.9
174.03238	2.3
175.00383	8.3
176.01199	2.7
177.01936	75.5
177.35120	1.3
178.02719	3.3
178.99866	56.7
179.03482	3.1
183.04558	2.8
189.01930	2.3
191.03508	2.9
193.01414	3.0
199.03949	2.0
201.12985	1.7
202.99910	5.4
205.01447	22.2
207.02979	1.9
207.10275	3.4
211.04117	2.2
213.05530	1.5
214.02663	1.6
215.03523	2.0
219.02989	1.8
225.11264	3.1
227.03516	6.8
230.99391	7.3
231.03052	1.7
239.03508	2.4
239.07008	2.1
241.01384	1.5
243.02983	6.5
245.00890	2.2
245.04500	1.8
255.02953	5.9
255.10204	16.2
257.04550	1.8
258.01712	1.9
259.02490	3.2
267.02936	6.4
270.01566	1.7
271.02451	6.1
273.04047	2.4
283.02454	7.6
285.04007	2.8
286.01196	2.5
287.02243	1.7
295.02396	6.1
299.02225	2.4
301.03632	9.9
311.01993	13.4
312.02432	1.5
313.03461	8.0
314.00851	6.2
315.01443	2.4
317.03107	1.9
327.01416	5.4
329.03156	12.5
357.02576	77.2
377.15701	1.7
389.05203	5.3
401.21875	2.9
461.07318	100.0
461.24069	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	459.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56318	0.7
59.01395	100.0
61.98851	5.3
65.78674	0.8
71.01402	3.8
78.95902	1.3
83.01338	1.2
83.05036	1.4
87.00874	1.9
87.33392	0.8
93.03455	2.1
99.00954	1.0
101.02419	1.0
102.45221	1.1
113.02479	1.2
119.05037	6.3
127.07688	4.2
149.00929	1.1
153.09296	2.2
163.04066	1.3
185.11833	2.0
197.11784	1.5
209.11850	14.9
235.07614	1.2
237.15161	1.3
251.16537	1.7
289.18106	4.3
307.19217	22.3
312.15903	4.6
313.03400	1.4
325.20261	14.7
327.08755	11.6
344.89017	1.0
371.74274	1.0
381.22864	5.5
399.24060	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	459.2605
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31635	2.5
59.01385	100.0
59.01653	5.3
61.98835	4.3
68.73798	3.0
71.01398	7.3
71.56401	2.7
81.93707	2.5
84.98689	2.9
113.02447	4.2
119.05042	11.7
130.17874	3.0
163.04010	3.3
227.12962	3.3
265.08606	3.1
306.03119	3.5
327.08710	18.9
399.23877	6.2
458.28702	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	459.3486
Annotation	CHEBI:70457
Peak:m/z	Relative Intensity
50.96156	2.9
53.08494	3.0
54.37319	2.8
75.04508	3.2
150.06874	15.5
163.07678	100.0
183.58203	3.9
242.47200	3.7
295.26627	5.5
299.97623	4.0
459.34958	68.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	0.3
59.01385	100.0
61.98837	1.2
71.01379	6.1
73.02954	1.7
83.01388	1.2
83.40887	0.3
85.02958	2.6
87.00877	0.4
89.02437	3.0
95.01389	0.4
99.00881	0.4
101.02457	4.2
108.69142	0.3
113.02456	2.8
113.97428	0.3
119.03487	1.4
119.05070	0.2
136.26164	0.3
159.02916	0.3
161.04547	1.6
179.05595	0.6
181.13741	0.3
210.23271	0.3
210.80887	0.3
297.17087	1.2
327.08661	0.6
399.23987	4.0
417.25040	2.3
423.22421	1.4
427.51328	0.3
440.90048	0.3
443.23032	0.6
459.22031	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2607
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
59.77839	0.5
61.98843	3.6
67.50042	0.5
71.01389	3.4
73.02973	1.0
85.02988	1.1
89.02441	3.9
92.22793	0.6
93.03455	0.7
101.02466	2.7
113.02502	0.9
119.03500	1.0
119.04967	2.3
161.04579	0.8
163.04019	0.8
179.05597	1.0
283.09662	0.9
327.08859	5.9
354.89108	0.7
379.01926	0.7
399.24030	2.7
476.93616	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97105	0.4
55.01898	0.6
59.01385	100.0
61.77654	0.4
61.98834	0.6
71.01384	4.1
73.02960	1.9
83.01405	0.7
85.02965	2.3
89.02437	0.9
101.02435	3.6
113.02473	2.2
119.05048	1.4
125.02483	0.7
143.05101	0.8
161.04559	2.3
163.03960	0.8
179.05635	0.5
211.07748	0.7
237.09354	0.5
237.14868	2.6
241.04987	0.6
265.08682	0.5
327.08746	3.7
399.23837	6.7
443.22720	1.8
459.25610	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28706	0.7
57.03456	11.4
59.01384	49.5
59.08620	0.7
63.02172	0.7
71.01402	2.0
73.13900	0.8
77.97789	0.8
79.99485	1.0
87.00896	1.4
87.04518	0.9
89.06079	61.1
93.03447	1.0
101.02477	1.0
105.03489	1.0
113.02470	1.2
119.04993	1.3
121.02956	77.5
161.02457	13.8
189.01979	4.2
219.03162	0.9
237.07713	100.0
265.08719	1.2
327.08786	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	459.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25110	0.8
54.14473	0.8
57.03448	1.3
58.03757	0.8
59.01388	52.7
61.98855	1.0
71.01392	6.4
72.99323	1.2
73.02947	31.1
83.01401	1.3
87.00886	3.9
87.04517	45.4
87.05049	1.6
89.02470	2.2
89.06084	79.0
93.03445	1.9
96.90431	1.0
96.95965	1.2
101.02439	1.8
105.03497	1.1
107.01454	1.3
109.02966	1.1
113.02489	1.0
119.03529	2.2
119.05017	4.2
121.02959	64.1
123.00817	1.0
123.04551	2.3
125.02453	15.9
126.02827	1.1
137.02457	4.9
149.00925	4.7
151.04002	2.3
157.96407	0.8
161.02449	28.1
167.91010	1.1
169.01413	4.9
189.01952	12.0
219.03029	4.1
237.07704	100.0
283.10065	1.0
303.05356	1.3
327.08627	6.3
407.07864	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	459.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.99324	2.8
63.83955	1.2
69.03458	1.3
71.01382	13.4
72.65973	1.3
73.02939	10.6
81.03434	1.5
83.01404	2.6
85.02971	3.0
87.00899	1.5
88.98794	16.7
89.02457	4.9
93.03493	1.9
99.00827	1.3
101.02430	12.1
113.02447	5.8
118.36942	1.3
119.05012	2.0
121.02866	1.4
125.02473	8.4
139.00385	2.3
149.99551	1.7
154.02803	2.0
161.04509	2.1
163.03989	1.5
168.00612	5.6
217.05029	1.8
218.05823	8.6
233.08162	1.9
297.13458	1.4
327.08710	6.5
339.05008	2.8
341.74649	1.2
347.86661	1.2
373.22165	5.5
388.65506	1.4
400.99423	1.4
459.15295	2.9
462.81458	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.0944
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91530	0.4
57.03459	0.9
59.01393	5.6
61.98843	0.7
65.57068	0.4
71.01396	1.3
72.99323	3.6
73.02962	1.2
75.00871	0.6
85.02979	2.1
87.00858	6.1
93.03458	31.2
96.96034	2.7
96.99316	4.2
103.00401	1.1
109.03031	0.9
110.37086	0.5
111.00907	0.7
116.92843	0.8
117.03516	3.9
119.05029	38.7
123.04544	3.9
125.02486	1.0
127.30694	0.6
130.04272	2.2
131.05034	7.9
133.02960	7.4
135.04536	1.2
143.05043	28.9
145.02968	3.3
145.06612	2.4
147.04518	0.6
149.00943	7.8
159.04419	1.2
163.04033	15.2
165.15166	0.5
171.04544	5.1
181.05061	0.9
205.05161	0.6
211.07663	7.7
219.08214	0.9
221.09677	1.0
223.04573	0.9
223.07753	2.0
235.07698	6.6
237.09245	8.7
239.10805	2.9
247.07680	0.9
250.06334	0.8
255.10321	3.6
263.07101	1.1
264.07791	0.5
265.08728	34.6
283.09824	1.2
309.07733	11.9
327.08817	100.0
328.09122	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41282	0.5
57.03478	0.6
59.01395	5.1
61.98838	0.8
71.01394	1.6
72.99319	4.4
73.02950	0.6
75.00874	0.7
85.02988	1.3
87.00896	6.9
88.98798	1.4
89.02435	0.9
93.03458	33.7
96.96029	3.7
96.99314	5.4
101.02405	0.8
105.68821	0.6
109.02998	0.9
116.92889	0.9
117.03472	2.4
119.05027	40.3
123.04528	4.9
125.02438	1.3
130.04251	1.3
131.05009	9.4
133.02965	8.0
135.04509	1.3
143.03896	1.0
143.05031	31.0
145.02940	4.2
145.06580	1.4
147.04529	0.7
149.00923	9.4
163.04018	16.2
163.05382	1.0
171.04526	4.4
178.02684	0.6
181.05009	0.7
211.07610	7.1
219.08247	0.9
221.09740	1.3
222.06845	0.8
223.04503	1.3
223.07671	2.6
235.07664	7.6
237.09258	10.8
239.10797	4.2
255.10378	1.0
264.07852	0.6
265.08716	36.2
281.08218	0.7
283.09821	1.3
309.07764	11.4
323.96576	0.7
327.08786	100.0
328.09052	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1154
Annotation	Unknow
Peak:m/z	Relative Intensity
55.86740	0.5
59.01408	1.1
64.83199	0.5
75.00910	0.6
75.15982	0.5
85.02969	100.0
87.00884	0.8
96.72133	0.5
96.96014	12.1
98.95644	1.2
101.91331	0.6
119.05077	1.0
120.76640	0.6
129.01952	78.5
135.04610	0.6
149.00986	1.1
163.02591	0.7
165.09752	0.5
166.23338	0.6
181.82359	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1888
Annotation	Unknow
Peak:m/z	Relative Intensity
56.66151	0.2
57.03455	0.3
59.01383	4.1
60.01725	0.4
61.01821	0.3
61.98835	100.0
69.03482	0.3
71.01392	2.1
72.99312	1.2
73.02946	0.5
81.97372	0.3
85.02966	1.6
86.92290	0.3
87.00884	2.1
88.01185	0.3
93.03400	0.3
101.02440	1.7
102.02808	0.4
103.00349	0.5
103.02924	0.3
109.02966	0.7
109.76044	0.3
113.02408	0.5
125.02431	0.7
134.87793	0.3
149.00934	5.3
150.01244	1.2
153.01901	0.4
171.10278	0.5
172.30684	0.3
187.07619	1.4
188.08032	3.0
202.06201	1.5
203.06703	0.6
215.07243	0.3
232.10637	0.6
250.13823	0.7
251.14059	1.2
264.13150	1.3
275.09174	0.5
276.09686	0.4
308.12201	1.5
326.13385	1.3
326.31641	0.3
327.08710	0.4
396.19330	0.4
397.19528	1.4
398.20139	3.2
459.15292	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.333
Annotation	Homaxisterol B2
Peak:m/z	Relative Intensity
59.01390	15.2
61.98832	3.2
70.05181	1.9
74.37650	1.8
149.01050	2.3
161.08002	2.1
174.99280	2.6
201.15680	2.6
217.00261	4.7
256.80481	2.1
278.26190	2.2
345.57452	2.3
374.99173	3.1
413.34299	2.8
457.33334	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	458.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.0
71.01379	0.6
74.95768	0.6
85.02949	100.0
96.96006	25.8
97.30266	0.7
103.07124	0.6
113.18768	0.6
114.28703	0.8
119.05020	2.5
120.05358	1.3
129.01939	81.5
136.07744	0.8
138.84599	0.7
141.01390	0.6
163.04074	0.9
180.06651	1.0
342.17450	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55314	0.2
52.79849	0.2
58.14733	0.2
61.20048	0.2
99.00890	0.5
99.92596	6.3
100.93372	8.9
110.55201	0.2
115.92086	100.0
116.92107	0.7
116.92863	6.7
118.98277	0.2
132.92365	0.5
142.64748	0.2
172.95465	3.0
235.53140	0.2
283.26578	0.5
368.13544	0.2
383.19037	0.4
399.18613	0.3
409.20569	0.4
433.34164	0.2
457.22748	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	457.2454
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.02391	0.5
61.36794	0.4
61.98841	2.0
71.01366	3.8
72.12674	0.4
85.02944	0.8
85.91824	0.4
89.02457	5.6
96.96008	2.7
98.70623	0.5
101.02428	2.6
113.02460	2.2
114.40066	0.5
119.03480	1.8
125.02400	0.5
137.02487	0.6
161.04483	0.9
165.09180	0.9
179.05640	0.9
187.07730	0.4
191.14374	0.6
209.08203	5.2
211.65213	0.5
235.13321	0.9
270.28983	0.5
295.06030	0.6
444.24179	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2453
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
61.98835	0.5
71.01386	4.3
71.01736	0.5
80.14822	0.3
83.01407	0.6
85.02965	0.7
89.02452	8.4
100.12009	0.4
101.02441	2.9
113.02467	2.4
119.03519	3.5
136.41248	0.4
143.03586	0.4
161.04541	0.7
167.38554	0.3
179.05634	1.6
280.03781	1.5
295.06238	0.6
326.58603	0.4
397.22388	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	457.157
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42968	0.4
54.82872	0.5
57.03456	4.8
59.01392	5.8
63.69116	0.4
67.51891	0.4
71.01395	2.1
71.53447	0.5
72.30432	0.5
73.02955	65.9
78.95918	0.7
85.02972	2.1
86.32001	0.4
86.60413	0.4
87.00888	3.6
89.02463	1.8
96.96010	19.5
96.96967	1.1
99.00890	9.9
99.04525	6.4
99.92625	0.6
101.02448	4.2
112.98800	0.5
113.02467	0.8
115.00433	0.7
115.03988	0.6
116.92850	3.3
117.01945	100.0
117.05650	0.7
119.05013	1.1
129.01941	2.0
133.01389	0.6
133.05098	2.0
135.04538	3.2
143.03453	1.1
147.03026	3.2
147.06628	0.7
149.00917	4.4
161.04565	10.0
163.02504	5.6
163.03795	0.7
179.03481	0.9
230.68256	0.5
257.12881	0.5
265.09314	1.1
309.11835	1.0
375.26431	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	39.7
61.98825	1.3
71.01393	2.6
73.02955	0.6
85.02924	0.7
85.33579	0.5
89.02429	1.3
93.03445	1.0
99.04526	0.8
101.02456	1.4
106.04247	12.7
108.02200	3.8
109.02957	1.1
113.02469	0.8
117.03536	0.8
121.02952	1.2
122.03746	1.5
125.02481	4.2
135.04651	0.7
137.02475	1.3
138.03226	1.2
147.04539	4.9
149.00935	0.9
149.02441	1.3
163.02545	0.8
173.13316	5.7
176.80768	0.5
217.12407	6.6
235.13408	27.9
253.08734	100.0
254.09235	0.7
271.06161	0.9
289.07236	1.1
397.13657	0.7
397.18488	0.7
397.22998	0.7
457.28159	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	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23622	1.3
54.90180	1.1
55.01890	1.4
57.03473	2.0
58.00619	2.5
59.01389	24.6
59.01649	1.4
69.03474	3.2
70.85804	1.1
71.01405	11.8
72.99320	1.7
73.02959	3.0
85.02984	8.7
87.00892	1.7
89.02471	8.5
91.34648	1.4
93.03462	20.3
96.96017	15.3
97.02981	2.4
101.02435	9.9
113.02449	5.8
117.03498	5.7
119.03636	1.5
119.05030	54.4
121.02951	3.1
124.93221	1.4
130.04248	7.5
131.05089	1.5
132.05824	6.8
133.02982	7.1
133.06595	78.4
135.04547	6.1
143.05040	18.2
145.03006	10.2
145.06596	36.4
147.04518	10.9
148.05328	3.3
149.00894	1.7
149.06071	12.2
158.03706	5.5
159.04526	8.6
161.06084	44.7
163.02660	2.1
163.04030	10.2
163.07658	45.7
171.04514	6.5
171.08069	1.6
172.05321	1.6
173.06064	28.5
175.03969	6.3
175.06142	1.7
176.04771	2.2
177.05646	2.2
179.05484	1.4
189.05560	2.3
189.09230	5.7
191.07158	100.0
205.05078	58.6
215.07158	6.6
217.05029	3.4
233.08232	28.5
235.06157	23.2
249.20746	1.4
255.09941	1.6
277.07288	2.0
292.12845	1.4
295.08002	2.3
397.17545	4.5
457.13855	2.1
482.20313	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	457.1358
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18369	0.6
59.01388	12.3
61.98839	0.9
65.32949	0.7
69.03460	5.3
71.01397	1.4
71.06322	0.6
72.99301	0.8
81.03464	2.5
82.95464	1.0
83.01413	1.7
87.00900	3.3
89.02449	1.0
92.10686	1.0
93.03477	0.7
95.01381	1.6
97.02969	6.1
101.02457	1.1
107.01414	1.5
108.02197	3.2
109.02958	2.9
121.02951	1.2
123.00893	10.1
124.01670	32.9
125.02454	86.0
135.04512	1.0
137.02425	9.5
143.07158	1.7
148.99901	0.8
149.00912	7.0
149.99600	54.7
151.00366	5.7
151.03928	0.8
152.01157	3.3
153.01921	1.0
161.02399	0.8
162.95456	0.8
167.03535	0.7
168.00656	84.1
169.01454	7.8
179.03329	0.8
187.07611	1.3
214.74678	0.8
227.13918	0.8
253.04990	0.7
280.75198	0.7
295.06204	8.6
313.05756	1.1
315.07523	1.2
318.40814	0.8
421.11502	0.8
439.12497	3.9
457.13577	100.0
458.14047	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	457.1371
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38441	0.4
52.41105	0.3
52.64954	0.4
57.65029	0.3
59.01105	0.7
59.01388	15.3
59.51926	0.4
59.52375	0.4
61.98835	0.5
63.53531	0.4
69.15131	0.4
71.01386	2.6
72.99307	16.1
75.00889	0.8
85.02977	0.9
87.00876	32.0
89.02432	1.8
92.10738	0.8
96.96011	1.6
101.02465	1.8
103.00371	7.3
105.01943	2.0
109.02995	0.8
113.02428	0.6
115.33768	0.4
119.03539	0.6
125.02444	1.8
130.99876	2.2
137.02464	2.5
138.03188	0.5
143.20041	0.5
145.41779	0.5
147.04524	0.6
149.00929	100.0
155.66692	0.5
159.04527	1.7
160.05334	0.4
172.05295	2.1
173.06111	3.7
177.09166	0.6
187.04065	3.6
187.07652	28.9
188.87404	0.5
201.05588	4.1
202.06387	15.2
205.08763	0.8
213.09251	2.3
215.07138	2.0
216.07872	0.7
231.10286	12.8
245.11864	0.8
263.12912	9.1
275.09305	5.0
281.13986	1.9
307.11948	10.1
313.65530	0.5
325.12997	19.2
397.19778	1.0
411.16736	8.2
439.12930	0.7
457.13492	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	457.1361
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	6.1
57.03455	6.8
59.01389	23.3
60.99348	1.0
64.82121	1.0
69.95884	1.1
71.01385	12.1
73.02961	5.0
76.16125	1.3
78.95896	1.4
83.01415	7.1
85.02961	9.9
87.00901	1.9
88.98827	6.1
89.02477	8.5
92.10163	2.4
93.03458	10.3
95.01416	1.2
96.96027	38.1
96.96953	2.7
97.02966	1.9
99.92586	1.5
101.02456	8.9
105.79333	1.1
109.02968	2.0
109.63667	1.1
111.00893	2.5
113.02476	19.3
113.06130	2.3
116.92870	20.6
117.03465	18.4
119.03576	2.3
119.05038	36.0
121.02975	1.7
122.65851	1.2
123.00977	1.3
123.04507	2.3
125.02451	1.4
131.03511	1.4
131.05087	2.1
133.03014	1.3
133.06609	100.0
135.04520	10.4
143.05061	1.6
145.02977	82.7
145.06616	5.6
147.04539	5.6
149.00909	2.0
149.06108	2.8
156.05826	1.8
157.06587	1.6
159.04552	9.1
161.04825	1.7
161.06067	12.6
163.02591	2.7
163.04013	10.1
169.06604	2.6
171.04576	4.8
171.08183	1.6
172.05260	5.3
173.06087	16.8
175.04053	2.1
175.07625	1.9
177.01921	1.5
177.05556	5.1
179.03522	2.8
179.05507	2.0
185.06082	7.3
187.04007	6.0
187.07651	9.4
189.05647	2.2
189.09216	2.8
191.07166	5.5
197.06116	2.5
199.07628	5.3
200.04860	1.7
201.05742	1.9
203.07190	16.5
205.05046	12.0
214.06412	2.2
215.07201	30.4
217.05173	1.5
219.06680	5.2
229.04916	1.4
233.08209	24.5
247.06168	9.9
259.06149	17.5
275.86435	1.3
277.07248	11.7
354.69714	1.2
372.01636	1.2
384.81146	1.2
395.13641	14.6
397.11572	1.8
414.29950	1.3
439.12527	18.3
457.14136	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	457.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.58051	0.7
54.29221	0.7
59.01389	4.7
64.34399	0.7
68.46762	0.8
69.03474	0.7
69.33507	0.7
70.31183	0.7
71.01384	20.0
72.99327	4.9
73.02966	1.0
85.02966	1.8
87.00881	1.7
89.02448	5.6
93.03462	10.2
96.96020	1.4
108.02248	1.0
113.99588	1.7
115.00378	56.4
119.05029	100.0
123.04564	0.8
125.02431	1.0
126.90400	1.8
132.02164	0.7
133.01437	66.7
134.03752	0.9
135.04532	66.2
137.02452	18.8
145.02997	1.3
147.04549	1.1
149.00905	1.8
153.01950	1.3
161.02466	10.9
161.06142	0.9
163.04018	51.6
163.07663	4.8
167.03412	1.4
179.03513	70.5
205.05148	3.4
217.08665	0.8
220.03815	1.5
235.06110	1.7
259.09692	0.9
294.19434	0.8
323.07764	1.2
337.07944	10.0
341.08859	44.2
457.14093	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	457.1148
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54728	1.0
57.03462	6.2
59.01394	8.6
71.01392	6.0
72.99317	4.9
73.02943	1.8
77.28827	1.1
80.02686	1.4
81.03477	2.8
83.01402	8.4
85.02992	2.4
87.00902	2.8
88.98817	6.7
89.02450	2.1
91.00353	1.5
93.03463	4.7
95.01392	2.0
95.05029	8.7
96.95995	3.9
97.02962	10.3
100.86296	1.2
101.02477	2.6
108.02190	52.4
108.02910	2.5
109.02959	46.2
116.92867	12.7
117.03467	1.5
119.05030	5.0
121.02969	6.3
122.03777	1.6
123.00899	2.7
123.04523	100.0
125.02443	31.1
133.06609	5.5
134.61757	1.3
135.04521	28.2
137.02472	15.4
139.04024	6.8
145.02977	5.9
146.03726	1.7
149.00961	4.8
149.02429	9.6
149.06012	1.5
151.04007	15.5
152.01167	6.0
153.01953	1.7
159.04471	3.0
160.05261	2.8
161.02486	1.9
161.06137	9.2
162.03281	1.7
163.02489	7.7
163.03996	6.3
163.07698	2.1
164.01169	4.8
165.01952	2.6
166.99750	1.4
167.03514	60.3
169.01506	1.6
173.06068	1.9
175.04028	2.5
175.07632	2.9
177.05507	1.3
179.03534	30.3
185.06128	2.0
187.04022	8.0
188.04793	7.0
191.07184	2.2
202.06352	2.3
203.07205	15.9
205.05101	12.2
221.08170	7.3
227.07172	4.8
245.08215	22.9
289.07233	93.4
314.78076	1.2
341.08704	7.2
397.11581	9.1
477.36505	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	457.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03479	0.5
57.58724	0.3
59.01401	2.9
62.53733	0.3
71.01398	6.2
72.99319	0.6
73.02957	0.9
77.92973	0.4
79.27814	0.4
83.01403	0.5
85.02969	0.6
87.00912	1.0
89.02473	0.7
95.05070	0.4
96.96008	3.1
99.92591	0.7
101.02460	0.7
103.00417	1.6
108.93758	0.5
113.02475	0.4
115.00384	7.4
116.92872	11.4
119.05038	2.3
121.02917	0.5
123.04547	0.6
125.02480	1.7
133.01437	7.8
133.02998	0.5
133.06628	1.9
134.03763	2.1
135.04539	100.0
138.13812	0.4
145.02917	0.7
149.00906	1.8
159.04636	0.4
161.02386	0.6
161.04373	0.5
161.06036	0.5
163.02518	2.8
163.03996	1.5
163.07655	0.8
173.06062	0.5
179.03525	87.5
189.12888	1.6
205.05125	0.5
251.05679	0.4
251.12962	0.6
287.09991	0.5
289.07153	0.6
295.11868	2.5
296.21207	0.5
319.11935	0.6
341.08853	40.9
397.11514	1.9
457.15088	0.7
475.61566	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0784
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33217	0.8
57.03455	8.6
59.01384	12.8
61.98848	4.8
69.03465	1.8
71.01401	5.6
72.24651	0.9
72.99332	6.2
79.52639	0.8
81.03462	6.5
83.01406	5.4
85.02959	0.9
87.00872	11.8
87.01274	0.9
89.02471	4.2
93.03465	6.6
95.01398	1.8
95.05020	2.2
96.96001	8.6
97.02961	4.8
98.95604	5.5
98.96494	1.1
101.02426	3.5
103.00385	1.9
107.05025	1.4
109.02956	16.6
111.04532	4.4
112.62498	1.1
112.98784	1.0
119.04997	1.1
121.02958	5.9
123.00880	5.1
123.04552	1.7
124.01664	6.3
125.02453	100.0
126.63187	1.0
130.99890	0.9
133.05186	0.9
135.04520	18.0
137.02452	37.1
138.03229	1.4
139.04056	19.8
143.05067	1.4
145.01524	1.1
145.02911	1.2
146.03790	1.3
147.04523	1.7
149.00932	28.4
149.02298	1.2
149.06081	1.5
151.04010	1.8
152.01180	1.6
153.01967	3.8
159.04503	5.6
161.02492	6.1
162.03235	2.0
163.02504	1.3
163.04085	1.3
163.07675	3.7
164.01173	7.4
165.01945	21.4
167.03502	20.1
168.00684	3.4
169.01460	19.6
172.05309	1.4
173.06096	5.3
175.04012	4.8
176.04745	4.0
177.01987	3.7
177.05545	4.2
177.09258	1.1
179.03523	17.7
187.04037	2.3
187.07648	26.3
187.09164	1.4
189.09274	2.1
191.07155	5.0
201.05629	4.6
201.09346	1.1
202.06395	9.8
203.03561	4.1
204.04404	3.2
205.08678	4.1
213.09216	3.9
213.88580	0.9
215.07164	6.3
217.08636	2.1
219.06668	16.1
221.04596	7.0
231.10370	8.7
243.06593	1.3
245.11642	1.0
257.36874	1.0
261.07693	3.6
263.12903	5.5
275.09262	4.2
278.92941	1.0
279.49808	1.0
287.05325	1.1
305.06726	87.6
307.11862	7.8
319.04727	1.5
325.13098	1.9
455.62085	0.9
457.08145	4.4
457.13651	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	455.2297
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44567	1.2
54.83461	1.2
56.51703	1.1
59.01388	100.0
61.98831	1.7
71.01408	1.9
74.57209	1.1
82.37208	1.2
92.10199	1.9
95.74175	1.2
113.02505	1.8
113.25278	1.3
122.23853	1.4
127.69537	1.5
211.98564	1.2
233.15498	96.7
247.17046	1.5
250.23663	1.2
255.99191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.3537
Annotation	Ursolic acid
Peak:m/z	Relative Intensity
51.70955	0.8
62.94121	0.7
64.34681	0.8
73.15883	0.9
119.08652	0.9
126.21464	0.8
141.60959	0.9
142.49290	0.8
165.95583	1.0
189.68884	0.9
214.01657	0.8
220.51439	0.9
455.35406	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	455.354
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21205	0.4
54.82479	0.3
59.01390	0.3
67.87474	0.3
74.20171	0.4
168.01595	0.4
455.35431	100.0
456.35968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.3124
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05070	3.6
57.15329	3.8
59.01386	100.0
68.36674	3.4
105.03007	4.4
129.10635	3.5
173.72104	3.7
189.10889	4.8
359.87631	4.2
418.28793	4.5
456.31229	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03442	3.4
58.61185	0.4
59.01385	0.7
69.03448	2.9
69.77897	0.4
80.99671	0.4
81.03461	1.5
83.01373	0.8
93.03437	0.6
95.04990	0.6
97.02935	2.1
105.03455	0.8
107.01437	2.2
109.02947	1.6
121.02986	0.7
123.00896	0.7
124.01646	0.7
125.02444	100.0
133.02928	0.5
135.04492	0.5
137.02440	2.8
138.13425	0.4
139.04033	0.9
151.04082	0.5
151.73482	0.5
161.02461	6.7
164.01236	0.5
165.01965	1.7
167.03473	3.2
169.01436	98.3
170.01727	0.8
177.05632	1.8
179.03482	0.8
192.31271	0.5
193.01411	2.2
201.05467	0.5
287.05685	0.7
297.44965	0.5
305.06738	5.5
331.04831	0.6
338.15015	0.4
457.07813	0.8
483.98300	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	5.1
61.98852	1.8
62.82659	0.4
65.03983	2.4
66.67045	0.4
69.05550	0.5
69.58152	0.4
70.21880	0.4
71.01375	0.6
72.06872	0.5
76.31191	0.4
80.29099	0.5
81.82611	0.5
82.95435	3.2
87.95453	0.4
93.03480	2.9
107.05029	7.2
109.02977	4.0
109.03603	0.5
110.62195	0.5
119.05056	0.5
125.02475	1.0
127.63055	0.4
134.03752	0.6
135.04485	0.6
138.72198	0.5
151.04021	100.0
153.01898	0.7
153.67825	0.5
158.29205	0.5
163.04007	2.1
193.05075	0.6
257.08231	59.1
258.08484	1.1
287.05634	1.1
455.34750	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	0.5
59.01405	0.5
66.60696	0.3
69.03475	0.3
71.01381	22.5
71.01775	0.8
72.99317	4.9
77.96915	0.3
81.83328	0.3
82.47914	0.3
85.02953	5.7
86.03300	1.4
87.00908	1.2
88.35208	0.3
89.02444	3.8
96.04561	6.1
96.96049	0.4
97.02908	0.6
97.04887	2.4
112.98566	0.3
115.00376	61.5
129.01945	0.9
133.01439	100.0
134.01688	0.4
155.29353	0.4
158.04607	0.8
192.05173	0.3
200.05676	0.4
219.05086	0.5
262.05624	2.7
263.06030	3.2
266.54254	0.4
292.11575	0.4
446.75839	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.4
61.98837	100.0
68.71946	0.7
111.01151	0.7
132.24352	0.7
152.83266	0.9
265.04688	1.0
280.07108	0.7
327.64136	0.8
336.48724	0.8
388.67386	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.0993
Annotation	CHEBI:70257
Peak:m/z	Relative Intensity
55.01905	0.9
57.03463	1.2
59.01394	9.4
61.98841	1.1
67.01935	0.8
68.99826	1.3
69.03489	4.1
70.75307	0.7
71.01385	1.1
73.02963	1.0
79.01907	0.8
81.03475	3.3
82.95425	8.6
83.01410	3.9
85.99602	0.9
92.10680	1.0
92.26836	0.8
93.03485	1.2
95.01416	1.8
95.05045	5.6
97.02959	33.1
107.01390	15.4
108.02184	6.4
108.93123	0.8
109.02972	5.5
110.00131	0.9
111.00909	5.8
121.02947	6.1
122.03763	10.6
123.00860	7.6
123.04515	7.2
124.01664	7.8
125.02451	88.2
127.00387	1.3
134.03757	16.3
135.04565	1.6
136.01721	0.8
136.98792	3.1
137.02467	24.9
138.03235	4.2
139.00354	5.0
139.04031	5.5
139.47543	0.9
140.01254	6.3
145.03009	6.7
145.04007	0.8
146.03766	0.9
148.01683	4.1
149.02455	11.7
149.06117	9.9
150.03238	5.0
151.00406	3.1
151.03989	3.4
153.01930	0.9
153.05644	3.0
154.02713	1.5
154.99855	1.2
158.03775	0.9
159.04535	3.7
160.05301	3.2
161.02472	12.1
162.03217	0.7
163.04027	3.6
164.01198	1.9
165.01964	9.4
165.05638	1.8
165.38075	0.7
166.02715	4.7
166.99835	1.6
168.00716	6.4
169.01447	100.0
173.06126	1.5
174.03177	3.7
175.04016	1.6
176.04732	3.8
179.03503	3.2
183.04547	3.3
184.05333	1.6
185.06044	1.2
186.03180	2.6
197.06136	0.8
198.06808	1.0
199.04083	0.8
199.07816	1.2
201.05608	8.9
202.02887	1.2
202.06444	6.8
204.04375	5.9
209.06252	1.0
213.05751	1.5
214.06410	1.1
215.07350	0.9
217.05046	4.1
217.08803	5.6
219.06709	7.1
220.07442	16.3
225.05592	4.9
226.06477	10.8
227.03505	4.4
228.04233	1.2
235.09846	8.8
241.05112	1.4
241.08813	6.6
242.05981	1.0
243.06752	1.4
244.07469	9.6
246.05524	1.0
253.05191	1.6
255.02956	5.3
257.08182	3.2
259.09793	4.7
261.07706	1.6
269.04526	3.1
270.05417	19.0
285.07736	44.4
288.06360	1.2
303.08807	93.1
304.09207	1.1
317.06729	2.0
367.11966	1.8
455.10007	23.7
455.15570	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28880	0.5
57.03461	1.6
59.01387	100.0
59.62301	0.6
61.98852	0.8
69.03471	1.0
71.01382	26.1
72.99327	1.6
73.02946	17.7
83.01390	5.6
85.02953	11.3
87.00883	8.0
87.04511	1.8
89.02446	32.0
92.10136	1.7
93.81780	0.7
95.01414	1.0
97.02950	0.9
101.02443	29.0
103.04015	10.1
109.02969	5.0
113.02444	7.0
115.04041	5.4
119.03498	12.0
119.04980	1.5
123.04536	1.2
125.02437	5.2
126.07838	0.9
131.03496	8.0
143.03517	9.6
145.05064	4.8
151.00336	3.4
161.04593	0.9
163.06129	37.8
173.05905	0.9
178.99936	1.2
179.05618	3.7
203.07146	1.7
205.05365	2.2
205.07202	13.7
217.05095	4.7
245.04601	3.2
245.08203	0.9
247.11847	3.3
265.09271	6.1
289.04037	0.8
289.07053	5.6
393.17691	33.6
393.22675	1.1
453.11893	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10364	0.4
54.82661	0.5
55.01882	4.1
57.03477	2.8
58.00614	0.6
59.01389	25.3
61.98838	8.9
71.01382	30.4
72.99309	1.2
73.02947	18.7
75.00869	0.7
83.01392	6.9
85.02956	18.0
85.03453	0.7
87.00864	0.8
88.98804	0.6
89.02452	6.2
92.10149	0.7
95.01399	2.9
97.02954	2.0
99.00889	7.7
100.47946	0.5
101.02444	38.2
106.87314	0.6
111.00850	0.6
113.02455	13.7
115.04047	0.6
116.09297	0.5
125.02483	3.5
129.02005	0.7
131.03513	0.7
143.03488	1.2
159.02995	3.9
161.04582	16.1
165.01889	0.6
185.16574	0.5
195.06526	0.5
254.05849	0.7
261.13461	31.3
280.02194	0.5
393.17746	100.0
394.18216	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.0845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77106	0.6
55.01883	0.8
57.03455	7.5
57.39638	0.7
59.01384	1.6
69.03474	6.5
71.01388	5.9
82.03013	1.4
85.02967	79.2
86.02469	0.8
87.04524	6.3
95.01323	1.0
96.04562	100.0
96.96019	0.9
97.02963	13.0
99.00901	6.6
109.03020	0.9
111.04496	0.9
112.04047	3.9
114.01955	1.2
115.00377	1.6
115.04018	6.2
122.02498	0.9
126.05603	1.4
127.41496	0.7
128.03531	6.3
129.01944	19.8
131.03607	0.8
133.01427	3.6
135.03029	1.0
140.03534	8.3
141.01981	5.5
144.02943	1.3
158.03403	1.3
158.04608	24.2
159.02960	2.8
170.04639	1.0
172.02534	2.8
184.02583	0.9
187.02023	0.8
200.05768	6.9
201.04149	1.3
202.03604	1.7
218.06757	1.2
219.05161	5.5
222.68274	0.7
262.05710	69.6
297.02402	0.7
369.95703	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1542
Annotation	7,8,3',4',5'-Pentamethoxy-6'',6''-dimethylpyrano[2'',3'':5,6]flavone
Peak:m/z	Relative Intensity
54.90752	4.2
59.01371	39.4
61.98854	20.0
71.01413	8.2
78.95914	5.5
84.47314	4.1
88.98813	7.8
89.02466	8.4
96.65097	4.5
96.96005	100.0
96.96972	15.4
116.92815	6.4
145.04955	4.9
148.38840	5.2
151.00429	7.5
165.01985	9.5
183.06691	5.0
188.54514	5.2
199.49834	4.9
200.93831	5.0
201.05458	5.2
214.32278	4.7
245.04460	7.6
276.76761	5.1
326.51309	5.6
361.12842	5.3
399.42429	5.1
453.14978	32.0
453.58310	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	453.1982
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80256	0.5
54.82996	0.7
55.01893	1.3
57.03458	1.0
58.00594	2.7
59.01388	85.5
60.35805	0.6
61.98838	1.3
71.01384	47.7
72.99327	3.5
73.02947	15.8
83.01407	3.0
85.02961	11.6
87.00887	3.2
88.98824	1.0
89.02443	100.0
95.01409	1.6
97.02972	0.7
99.00881	23.5
101.02448	32.8
109.03017	0.8
113.02454	16.7
115.04011	1.1
119.03508	14.4
125.02473	5.1
131.03511	9.7
131.09511	0.7
135.04552	2.8
143.03506	1.4
149.04572	33.3
161.04543	3.1
179.03624	1.1
179.05612	5.9
187.77141	0.7
191.05644	9.2
221.06537	3.0
227.73700	0.7
233.06560	0.8
251.07719	5.4
261.13522	3.7
393.17746	78.7
394.17813	1.2
453.20117	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17417	1.5
51.14008	1.3
55.59108	1.7
57.03456	3.7
59.01385	40.6
61.22107	1.6
61.55704	1.5
61.98847	3.4
65.00321	12.9
71.01392	15.2
72.99317	2.9
73.02956	8.4
83.01387	16.2
83.07011	1.5
85.02979	10.9
88.98842	1.9
89.02465	8.1
89.84342	1.5
90.57961	1.5
93.03481	3.4
95.01401	1.8
96.96008	2.2
97.02966	2.1
98.76203	1.7
99.00854	2.0
101.02441	15.2
107.01418	14.0
107.05059	4.1
109.02959	17.4
113.02509	3.8
119.05066	7.9
121.02962	3.2
123.04552	4.2
125.02436	40.9
129.07115	2.2
131.05066	11.2
133.03012	4.1
133.06561	3.0
135.04520	17.0
137.02495	7.0
140.29443	1.6
145.06577	3.3
149.00957	1.9
149.02484	3.0
149.06113	9.3
151.00391	44.2
151.03938	2.3
152.01167	3.3
157.06621	7.7
158.03780	3.0
159.03217	1.9
159.04460	12.1
161.02464	3.6
161.04636	2.4
161.06134	2.0
169.01410	2.5
171.04623	2.0
173.06081	25.0
174.03224	8.3
175.04039	14.6
177.01959	8.4
177.04282	2.2
177.05582	17.9
178.99889	17.6
179.03525	2.9
183.04495	3.2
187.04068	2.3
188.04753	1.7
189.05571	6.7
199.04033	4.0
201.02034	1.9
201.05620	16.7
202.02780	2.1
203.03471	2.9
203.07246	2.8
207.06677	8.2
217.05113	82.6
219.06650	2.4
227.03601	12.4
229.01404	2.6
230.02231	27.3
231.15785	1.6
235.06070	2.5
243.03061	2.2
244.03717	7.2
245.04570	100.0
245.08327	3.0
255.06685	13.9
261.13455	8.1
273.07724	2.5
289.03595	20.2
289.07257	11.2
315.08652	6.9
345.46573	1.8
387.05600	1.9
393.17435	14.7
393.28528	3.6
407.19095	2.6
453.10635	10.0
453.14682	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	453.1198
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20409	1.3
57.03456	3.5
58.51797	1.6
59.01140	1.4
59.01385	13.3
61.98838	9.9
68.99583	6.8
71.01383	9.1
71.02509	1.6
72.99294	1.7
73.02944	4.0
74.96709	1.4
83.01405	2.9
88.04044	1.4
88.98808	6.6
89.02438	3.7
91.04353	1.8
91.05527	79.0
96.96024	11.2
98.95610	2.0
101.02448	3.5
103.00394	1.7
109.02972	11.4
112.98588	3.5
116.77697	1.6
116.92852	2.0
121.02956	9.2
123.04530	6.4
125.02415	7.2
135.04546	12.4
137.02458	2.5
145.17581	1.6
149.00916	2.2
151.03999	9.3
163.02557	6.5
163.04013	100.0
165.01978	2.3
179.03539	1.8
203.07190	9.3
205.05049	3.1
208.15411	1.9
245.08128	6.3
247.02486	6.8
278.92575	2.3
289.07245	27.0
363.54468	1.7
453.14395	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	453.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	1.2
59.01382	15.7
59.86658	0.9
62.83809	0.9
69.03448	1.4
71.01380	7.5
73.02937	1.8
73.79241	1.0
77.30042	1.2
83.18075	1.1
85.02972	1.8
87.00885	5.4
88.98790	2.0
89.02442	4.5
92.10104	2.5
95.01391	1.3
96.95993	2.5
97.02943	1.5
99.00944	1.3
101.02454	6.5
107.01382	8.7
108.02164	1.1
109.03017	1.5
111.00888	5.3
113.02415	4.9
121.02961	1.5
123.00886	30.6
124.01662	31.9
125.02451	48.3
127.00400	1.1
137.02448	2.9
138.03288	1.6
139.00407	5.5
139.04037	11.6
140.01170	2.9
141.02000	1.4
149.02454	1.3
151.00372	11.2
151.04031	1.6
155.68864	1.4
155.94797	1.2
165.01892	7.6
165.05437	1.5
166.02722	6.9
168.00633	6.3
169.01439	42.2
178.02699	1.3
179.03531	6.4
180.04285	2.4
181.05009	5.8
183.02965	7.4
183.06532	1.7
195.06610	2.5
211.02679	1.6
225.04047	1.2
225.07687	2.8
230.10152	1.1
239.58920	1.2
285.06039	1.6
293.14346	1.2
297.06168	2.0
313.05728	6.6
327.07224	1.9
346.10828	1.5
361.12866	2.2
367.19388	1.6
373.77808	1.3
393.21143	1.5
453.10422	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	453.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	5.5
58.29825	0.9
59.01387	65.1
61.98838	17.6
63.02409	5.4
65.00328	11.5
71.01379	18.8
72.99324	4.1
73.02942	10.9
75.00865	1.2
81.03484	2.3
81.16328	1.0
83.01385	11.4
85.02962	7.2
87.00896	7.1
88.98823	4.8
89.02443	12.9
95.01376	1.5
99.00919	1.1
101.02452	18.3
103.04015	1.3
107.01412	17.0
107.05045	5.1
109.02953	24.5
109.03571	1.5
111.00896	1.3
111.04545	1.2
113.02441	7.4
115.04025	1.3
117.00557	1.0
119.03529	5.4
119.05045	1.1
121.02975	2.0
121.06553	3.6
122.03635	1.2
123.00875	1.1
124.01673	2.6
125.02455	30.9
127.04057	2.0
130.04250	2.2
131.03549	2.3
131.05028	8.0
133.02975	4.6
135.04573	7.6
137.02484	2.4
143.03496	2.1
145.06622	4.3
147.04541	2.0
147.08238	1.1
149.02396	1.2
149.06090	9.1
151.00392	55.3
151.04071	1.4
152.01184	12.5
155.05075	1.4
157.06633	1.4
159.04547	6.1
161.02452	2.0
161.04596	4.0
161.06053	1.2
163.06143	9.4
163.07568	4.0
167.03455	1.4
169.01422	6.2
173.06097	22.3
174.03256	1.8
175.03967	10.5
177.01917	2.0
177.05569	10.3
178.99878	48.3
181.01442	4.4
189.05634	5.6
191.03581	4.8
199.04056	7.0
201.05688	8.9
203.03619	1.9
205.05156	2.0
205.07143	1.9
207.06645	29.4
217.05093	100.0
219.02998	2.1
227.03531	11.1
230.02226	11.4
235.06180	18.3
245.04585	72.3
247.06187	2.4
247.11894	9.9
289.03601	19.0
381.12085	2.0
393.17438	18.2
393.21692	3.7
453.10135	8.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.3186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
61.98874	2.1
77.96481	1.0
81.03471	2.9
82.76024	1.3
83.05037	17.9
136.01709	4.7
136.81473	1.2
137.02434	12.8
199.56111	1.3
207.40475	1.2
391.29651	41.3
451.27017	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	452.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
68.99299	0.4
78.95913	16.9
88.68633	0.4
103.94911	0.4
118.04236	0.5
122.00133	0.9
134.98511	0.5
140.01186	5.8
152.99629	1.9
196.03809	8.1
212.19879	0.5
214.04901	1.9
230.27669	0.6
242.04262	0.6
255.23328	100.0
255.99020	0.5
256.23685	0.6
264.83646	0.5
334.06494	0.5
452.27908	27.2
458.14294	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.071
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.2
59.01385	3.2
61.98829	1.3
63.99268	0.1
65.75629	0.1
71.01384	0.8
72.99302	0.3
73.02959	0.2
75.00879	0.2
78.95899	4.0
78.96318	0.2
79.17038	0.2
79.95746	2.1
85.02966	0.3
87.00864	0.2
88.98801	0.7
89.02425	1.0
92.10076	0.3
96.96011	100.0
96.96902	5.6
101.02441	0.7
103.00304	0.1
111.00917	0.2
113.02464	0.3
115.04037	0.2
118.06659	0.2
121.02984	0.2
124.01593	0.1
125.02473	0.2
135.04524	0.2
138.05589	0.2
149.00909	0.2
149.02463	0.3
160.01714	1.1
163.04045	0.2
164.07207	0.2
167.03499	0.2
175.03973	1.1
179.05647	0.2
181.04953	0.2
193.05075	0.2
207.06703	0.2
219.03032	0.2
245.44456	0.2
301.07266	0.2
331.11841	0.2
355.10406	0.7
453.18887	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2558
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	1.2
57.03465	1.0
59.01387	100.0
61.98840	1.6
63.71854	0.7
65.01221	0.8
69.03466	3.7
71.01379	17.1
71.12598	0.9
72.99315	1.3
73.02959	4.3
83.01392	1.5
85.02958	7.8
85.46525	0.6
87.00894	1.6
87.04527	5.0
89.02442	14.5
95.01395	1.0
96.63643	0.7
96.95993	1.1
97.02962	3.1
97.06604	0.7
101.02438	15.7
101.68548	0.7
107.01433	1.1
109.02940	1.6
111.00854	1.1
113.02463	8.8
119.03516	6.5
121.03017	0.9
123.04562	0.8
125.02428	5.6
135.04556	1.7
137.02428	1.7
143.03525	0.8
151.00380	5.7
153.90604	0.7
161.02432	0.9
161.04568	7.9
179.03392	0.8
189.01816	1.0
229.08902	1.0
229.18163	2.9
242.05914	4.1
243.06555	1.8
245.04620	1.3
391.23514	38.9
403.37476	0.8
405.11798	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01900	1.2
56.62487	0.4
57.03465	0.9
58.00606	0.4
59.01395	100.0
60.99394	0.5
61.98854	1.0
65.00343	1.8
66.18619	0.4
71.01395	13.5
72.99324	0.8
73.02953	4.7
81.03504	0.6
83.01388	3.9
85.02958	7.0
87.00894	0.8
89.02464	5.8
93.19611	0.4
95.01419	0.7
96.16368	0.5
99.00864	2.4
101.02446	10.5
107.01408	2.8
109.02975	11.5
111.00912	1.1
113.02459	5.3
119.03487	2.8
123.04521	5.1
125.02454	2.8
125.37463	0.5
133.02917	1.2
135.04533	9.4
136.04890	4.1
137.02437	0.7
137.05063	2.4
140.55612	0.6
147.04482	0.6
149.02444	0.5
151.00388	9.8
151.03998	2.2
152.00778	4.2
153.00827	2.9
159.03008	0.6
161.02451	2.0
161.04570	4.9
165.41853	0.5
167.03519	1.0
177.01944	9.2
179.05602	0.5
187.04060	2.4
188.04755	0.5
189.01947	8.0
190.02739	4.2
191.03462	1.2
203.03494	0.6
213.11090	0.5
216.00729	2.1
217.01480	5.3
219.02972	1.2
229.08812	0.6
229.18053	2.1
231.02942	1.2
242.02072	0.9
244.74556	0.5
257.04443	2.1
281.04526	3.1
287.05655	2.3
288.05984	3.0
289.06161	6.8
289.20236	2.7
297.07745	2.0
299.05890	0.8
308.44104	0.6
324.44852	0.6
341.06732	23.6
391.23465	41.0
392.24161	0.5
451.11176	5.5
451.26074	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	4.3
59.01390	63.3
59.04154	2.8
61.98834	4.3
71.01385	36.5
72.99342	3.6
73.02975	3.7
79.95748	3.3
83.01397	6.8
85.02975	19.4
88.98817	3.3
89.02461	21.0
92.72709	3.0
95.01385	3.4
96.96008	48.9
97.02927	7.9
101.02427	27.7
109.02929	30.8
113.02473	15.5
123.04559	26.5
125.02444	19.9
131.03522	3.6
137.02451	23.7
139.04033	4.7
149.02435	13.9
151.04050	7.5
161.04553	14.1
161.05969	4.0
165.01913	4.9
175.86913	3.5
179.03557	3.5
179.05600	6.0
200.05899	4.0
203.07191	19.3
205.05107	3.7
221.08070	3.9
245.08191	26.8
259.08258	37.6
289.04248	5.4
289.07248	100.0
391.12411	19.6
405.21420	4.9
406.79031	3.9
451.22226	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	451.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
58.28519	1.4
58.63186	1.7
59.01378	26.3
62.44029	1.7
71.01417	9.9
73.02957	2.5
78.95927	8.2
88.83147	1.8
89.02450	10.5
96.96014	100.0
96.97012	8.8
97.02967	2.3
101.02465	4.6
109.02985	10.9
113.02452	2.7
119.03530	4.1
121.02120	2.2
121.02968	10.0
123.04509	11.1
125.02456	5.0
137.02438	4.4
149.02470	11.3
150.03253	9.2
151.04068	9.3
165.05606	12.0
167.03470	4.5
179.05566	3.6
182.33813	2.1
199.55876	2.1
201.10368	4.1
203.07143	3.3
203.48769	2.3
205.05092	2.6
245.08293	9.7
271.09805	12.2
289.07266	41.9
289.10663	4.8
309.22781	2.9
336.13608	2.1
338.87250	2.7
369.33133	2.7
407.14728	10.6
451.21991	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	451.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81263	5.4
57.03482	5.2
59.01385	100.0
61.98855	8.9
71.01393	9.6
85.02969	9.9
89.02451	8.0
92.10106	19.1
93.03465	35.9
101.02424	8.8
121.02943	7.4
124.01662	10.9
125.02438	39.3
137.02463	39.5
149.99554	11.3
168.00681	47.3
169.01427	6.9
205.13716	5.5
209.73297	5.6
231.02428	5.8
232.99019	6.7
319.18912	5.8
331.06714	13.0
391.23349	6.5
451.09201	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2111
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10123	5.4
54.78038	7.4
59.01383	100.0
61.69687	6.5
61.98820	9.7
69.11894	9.2
71.01402	10.7
93.03416	7.5
125.02460	13.5
137.02452	28.1
137.84200	6.6
148.47725	8.8
149.99580	12.0
155.22893	6.4
168.00615	14.3
170.65100	7.2
252.01787	7.4
296.18527	8.8
315.83249	7.0
391.23407	14.3
451.09201	14.1
451.15137	8.4
451.21024	14.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	2.4
57.03460	7.6
59.01385	42.2
65.55813	1.4
65.97728	1.7
69.03468	1.6
71.01383	55.9
72.99304	3.2
73.02946	21.5
75.00879	7.3
77.71019	1.5
81.03473	6.1
83.01379	13.9
85.02954	22.8
89.02437	21.0
95.01403	3.6
95.05031	3.0
96.96002	22.3
96.97026	2.1
97.02956	11.0
99.00894	10.8
101.02448	42.7
109.02961	25.4
111.00850	2.0
113.02437	18.1
115.04021	2.6
116.92873	2.7
119.03464	1.7
121.02957	2.3
123.04536	24.9
125.02450	24.6
131.03496	1.5
135.04495	2.2
137.02472	15.2
139.03972	4.0
143.03477	2.6
145.02969	2.0
149.02403	5.9
151.04005	11.6
159.02956	5.8
159.04407	1.7
161.02394	1.8
161.04565	20.8
161.06035	6.3
164.01151	3.0
165.01976	6.5
175.07713	1.7
179.03537	7.6
179.05653	1.6
180.18867	1.4
187.04025	6.5
188.04826	2.7
203.07216	16.9
205.05046	6.3
221.08105	2.0
232.23070	1.7
233.06755	2.5
245.08224	20.0
245.54979	1.8
259.08261	29.9
289.07217	97.5
293.09067	2.2
391.12500	100.0
451.12784	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	451.1367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95729	0.9
55.01896	1.2
57.03455	1.8
58.47018	1.0
59.01388	18.5
61.98842	4.7
71.01385	34.1
73.02954	2.0
83.01406	4.9
84.79362	1.0
85.02980	4.7
87.00883	1.5
88.04044	84.4
88.98831	1.7
89.02470	4.6
96.96039	6.0
97.02954	2.4
99.00815	1.1
101.02438	14.1
107.93137	1.1
109.02960	10.6
111.00921	1.2
112.73923	1.0
113.02454	4.9
114.01996	1.5
115.00385	26.0
121.02946	1.4
123.04508	11.1
125.02464	6.5
130.06622	21.7
132.03024	54.1
137.02454	13.6
146.06157	2.5
149.02440	2.1
151.04015	5.1
156.04555	2.6
161.02444	1.2
161.04694	1.7
161.06061	2.7
164.01151	1.5
165.01921	5.3
173.07208	100.0
179.03506	2.0
187.04086	1.5
199.41246	1.1
203.07135	7.0
205.04996	2.4
221.08212	2.5
227.09135	1.5
229.08823	1.3
245.02748	1.3
245.08083	9.9
259.08191	1.5
289.07242	25.5
292.12000	8.6
331.06854	1.7
335.12680	17.7
336.10843	12.2
337.85559	1.3
391.15219	4.7
405.14166	6.2
407.14606	2.6
433.12692	4.7
451.13611	98.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75556	1.0
56.90833	1.0
59.01388	11.6
61.98827	5.6
89.88070	1.3
93.03456	11.7
109.02974	1.5
123.04530	1.7
134.03755	9.9
135.04515	2.1
149.02473	5.4
149.06065	12.9
161.02466	2.7
173.75244	1.4
175.95248	1.3
177.05502	5.7
213.05502	5.8
214.04446	2.3
214.06396	61.8
229.18063	1.9
242.05882	29.2
246.05299	8.2
255.06787	2.6
257.08237	100.0
271.09857	9.9
283.06213	1.9
301.10922	2.4
313.10849	12.9
321.67627	1.4
407.14944	28.5
451.27716	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1463
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90904	0.8
55.01891	4.3
57.03463	4.9
58.21226	0.9
59.01384	39.5
61.82187	0.9
63.08632	0.9
69.03474	1.8
71.01377	45.1
72.99340	1.1
73.02947	21.8
75.00883	2.4
81.03452	2.4
83.01373	9.6
85.02950	29.7
87.00884	1.4
89.02438	16.8
93.03449	1.6
95.01412	5.5
95.05046	1.4
96.96037	5.0
97.02946	8.6
99.00881	10.0
101.02442	43.0
101.03088	2.1
109.02959	18.3
110.86914	1.0
113.02451	22.3
116.92873	2.3
119.03513	1.7
121.02892	1.4
123.04526	13.1
125.00998	1.6
125.02446	15.9
131.03598	1.2
135.04372	1.0
137.02490	8.5
139.04031	3.9
143.03481	3.7
148.53534	1.1
149.02461	6.6
151.04016	7.8
159.02995	4.3
159.04524	1.5
161.04573	26.4
161.06023	4.1
163.04028	1.6
164.01180	1.9
167.03519	1.8
175.03995	2.3
179.03513	4.2
179.05682	2.3
187.04024	4.2
188.04756	2.4
202.06323	1.5
203.07167	9.3
205.05103	5.4
221.08215	1.9
227.01755	2.1
233.06705	3.9
245.08147	12.2
259.08270	24.5
289.07220	55.3
293.08627	1.6
376.05695	1.0
391.12512	100.0
392.12802	2.0
451.12585	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	451.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.6
59.01397	2.8
61.98841	0.6
66.17609	0.5
71.01373	0.5
72.23299	0.5
81.03453	4.2
83.01408	2.9
85.02959	1.2
93.03459	2.4
95.05019	3.8
96.96026	7.2
97.02941	6.7
99.04499	0.6
100.55715	0.5
105.03441	0.6
109.02963	27.6
116.92912	0.7
121.02957	4.1
122.03735	1.0
123.04527	19.9
125.02449	20.1
128.49629	0.5
135.04533	3.2
137.02451	14.0
138.03288	0.9
139.04042	4.5
145.02946	1.3
146.03709	0.7
149.02472	10.3
150.03201	2.3
151.04018	13.5
159.04510	3.2
160.05295	1.1
161.02467	2.4
161.06088	6.5
162.03294	1.1
163.03999	2.4
164.01143	4.8
165.01942	5.0
167.03494	2.5
173.06035	0.7
175.04008	2.7
175.07661	2.8
179.03500	8.1
185.06142	0.8
187.03998	5.5
188.04836	5.0
189.82246	0.5
191.03593	0.6
191.05635	2.3
199.07588	0.6
201.05605	0.6
202.06462	2.5
203.03581	0.7
203.07170	16.8
205.05089	10.3
221.08133	3.8
227.07146	3.8
230.05751	0.9
245.08223	20.9
247.06148	1.1
268.55383	0.6
271.06039	2.3
289.07205	100.0
290.07449	1.1
313.07388	1.3
451.12399	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1248
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34082	1.0
57.03457	4.3
57.59394	0.9
59.01386	21.7
71.01383	29.0
72.00873	1.0
72.99318	1.9
73.02922	1.7
81.03473	4.5
83.01370	7.5
85.02944	5.3
87.00870	1.4
88.04039	68.0
89.02444	10.0
92.55689	1.1
93.03468	2.0
95.01405	1.8
95.05038	6.2
96.96010	4.9
97.02950	10.9
101.02430	7.8
101.06065	1.1
108.67735	0.9
109.02958	29.9
113.02449	4.7
114.01990	4.4
115.00378	18.2
119.03508	2.1
121.02952	6.9
122.03773	1.4
123.04516	22.5
125.02447	19.2
130.06641	18.0
132.03023	49.2
132.04010	1.7
135.04514	4.7
137.02455	28.8
137.06126	1.4
138.03247	1.0
139.04013	6.5
146.06119	4.0
149.02455	9.3
149.09731	1.9
150.03227	1.8
151.04016	18.2
156.04553	2.5
159.04474	3.9
160.05286	1.7
161.02463	1.6
161.06100	9.9
162.03166	2.0
163.04047	1.7
164.01164	5.8
165.01945	12.4
167.03481	2.4
167.10811	1.5
173.07220	83.9
175.04034	4.5
175.07709	3.8
179.03502	8.9
180.72232	1.2
185.06100	1.1
187.04018	6.9
188.04759	6.5
191.05705	1.2
200.07164	1.2
202.06464	2.1
203.07153	25.7
205.05109	14.9
209.08244	1.7
211.09807	1.2
221.08200	6.1
221.22415	1.1
227.07141	5.0
245.02820	4.3
245.08159	30.3
247.06100	1.5
261.76840	1.2
271.06235	1.5
289.07217	75.0
292.11908	5.0
335.12579	13.8
336.10828	10.7
391.15762	1.2
405.21335	5.8
407.14655	1.6
433.12579	5.3
451.13287	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1252
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
57.03452	1.7
59.01379	10.3
62.88356	0.9
71.01395	1.8
73.03000	0.9
73.13251	0.8
81.03477	3.4
83.01408	3.6
85.02939	1.5
89.02447	1.9
90.10049	0.9
93.03484	1.7
95.05026	4.6
96.96016	8.7
97.02965	7.1
101.02460	2.1
107.29733	0.9
109.02954	27.7
113.02464	1.4
116.92830	10.5
121.02968	4.7
122.03733	1.4
123.04529	18.5
125.02437	20.7
131.03523	1.0
134.41724	0.9
135.04561	2.2
137.02446	24.1
139.04004	3.8
145.03011	1.0
149.02458	9.1
151.04016	13.8
159.04506	4.4
160.05547	1.1
161.02446	8.0
161.04767	1.4
161.06093	7.2
162.03268	1.5
163.03984	1.1
164.01149	3.8
165.01913	10.5
167.03445	1.9
175.03989	3.8
175.07625	1.5
179.03455	7.7
179.05663	1.0
187.04019	5.3
188.04774	4.1
189.01901	2.1
202.06412	1.1
203.07208	17.5
205.05046	10.9
221.08206	4.1
226.06360	15.5
227.07089	3.6
241.08731	12.8
245.08209	22.4
247.06227	1.2
271.05981	1.1
289.07220	100.0
313.07327	1.2
330.94803	1.2
405.21439	2.0
451.12415	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	451.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	1.4
59.01386	31.6
61.98824	1.9
71.01400	5.6
85.02952	2.4
89.02444	2.7
92.10074	2.6
96.10076	1.4
97.02935	1.3
101.02441	2.3
103.04036	1.8
109.02960	31.8
113.02457	1.7
119.05044	2.3
122.03771	2.1
123.04524	15.3
133.02936	6.0
147.04547	5.4
151.04018	7.5
161.02478	7.7
177.01938	31.9
180.35233	1.6
185.29184	1.6
187.03961	2.1
189.00253	2.6
189.01964	71.0
190.02744	15.5
191.03542	14.2
191.83701	1.5
203.03497	8.1
216.00600	10.4
217.01450	42.0
219.03038	16.8
231.03043	14.2
332.26166	1.5
341.06720	100.0
341.36377	1.5
391.23361	6.3
451.10443	22.7
451.28998	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	451.1239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83134	0.9
57.03464	6.0
58.00605	1.1
59.01392	16.4
63.50584	1.0
69.03482	1.5
71.01386	30.1
73.02956	6.9
81.03458	2.2
83.01385	10.8
85.02966	7.2
87.00940	1.2
88.04046	56.4
89.02443	2.4
93.03457	2.7
95.01416	1.4
95.05023	5.6
96.96026	4.4
97.02978	11.6
99.00860	1.6
101.02453	15.0
108.02147	1.3
109.02964	36.1
113.02460	6.3
114.01996	1.4
115.00385	17.5
119.05029	1.7
121.02950	6.7
122.03756	2.0
123.04532	25.0
125.02454	27.7
130.06641	16.9
132.03040	41.5
134.30617	1.4
135.04514	5.5
137.01421	2.0
137.02461	34.6
139.04015	7.7
145.02997	1.7
146.03743	1.6
146.06125	2.7
149.02452	10.4
150.03282	1.5
151.00388	1.1
151.04019	19.8
156.04582	2.0
159.04510	6.2
161.02486	1.6
161.04593	4.5
161.06116	7.5
162.03252	4.4
163.04041	1.8
164.01212	8.3
165.01941	15.7
167.03577	2.2
173.07220	67.6
175.04044	2.6
175.07649	2.3
176.77469	1.2
179.03494	9.3
185.06081	1.3
185.53081	1.3
187.04012	10.6
188.04762	7.6
202.06454	1.6
203.07179	21.7
205.05124	15.5
221.08311	8.0
223.47585	1.2
227.07242	1.9
245.08220	32.6
247.06166	2.2
259.08340	9.9
271.05966	1.2
289.07233	74.8
292.11942	4.8
331.06790	1.2
335.12656	11.6
336.10922	9.2
405.14017	22.2
407.14114	1.3
433.12674	6.0
451.13196	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	450.1985
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34776	0.2
54.82846	0.3
56.85583	0.3
57.03458	2.4
58.03840	0.3
59.01391	10.5
60.01723	0.6
61.01807	0.3
61.98841	100.0
63.90238	0.3
63.99260	1.7
65.00348	0.6
71.01395	1.6
72.99289	0.3
81.03471	0.4
83.01405	1.7
85.02952	0.5
93.03438	1.0
101.02439	0.7
107.01390	1.4
109.03056	0.5
110.03360	0.3
121.02948	1.3
123.04564	2.4
124.04867	0.6
125.02444	17.5
126.02781	7.1
133.02924	0.4
137.02478	0.5
138.89302	0.3
149.02443	1.5
151.00385	4.0
152.00815	2.0
153.01910	1.4
154.02277	0.4
159.04541	0.4
163.04053	0.4
165.01935	2.1
166.02319	0.7
173.06006	0.5
178.99826	2.3
179.03497	0.4
180.00204	1.5
201.05481	0.4
202.05952	0.5
215.07127	0.4
216.07434	1.1
226.05991	1.2
242.05382	0.6
243.06602	0.4
244.07037	0.6
256.09686	0.4
259.06158	5.1
260.06454	9.3
269.04559	3.7
270.04926	10.5
286.59656	0.3
287.05670	1.7
287.08929	0.5
288.05991	5.4
288.09274	1.2
365.98843	0.3
390.21851	0.5
450.11215	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	450.1992
Annotation	Unknow
Peak:m/z	Relative Intensity
55.61653	0.3
57.03458	2.2
57.11152	0.2
59.01387	9.7
60.01727	0.8
61.01806	0.3
61.98837	100.0
63.99260	1.6
64.86839	0.3
65.00330	0.7
71.01383	1.3
76.50950	0.3
77.41246	0.3
81.03481	0.3
82.03801	0.3
82.65446	0.3
83.01413	1.4
85.02967	0.3
87.00867	0.4
89.02480	0.6
92.10703	0.4
92.15963	0.3
93.03436	1.1
96.95995	0.6
101.02407	0.4
101.46540	0.3
107.01384	1.1
108.01710	0.3
108.29783	0.3
109.02967	0.4
113.02473	0.4
117.03453	0.3
121.02937	1.7
123.04543	2.8
124.01631	0.3
124.04874	0.4
125.02450	16.8
126.02791	6.2
130.38603	0.3
135.04535	0.6
149.02361	1.2
150.02824	0.6
151.00388	4.1
152.00847	0.7
153.01871	1.4
154.02324	0.4
161.02527	0.3
162.10678	0.3
165.01926	1.8
166.02229	1.1
173.05988	0.4
174.06413	0.6
177.13022	0.3
178.99847	1.8
180.00169	1.3
182.07005	0.3
198.06566	0.4
200.04272	0.4
202.05988	0.5
215.07097	0.4
216.07391	0.5
226.05884	0.5
242.05389	0.5
243.06566	0.4
244.06992	0.6
259.06128	4.7
260.06479	8.1
269.04556	4.1
270.04935	10.5
287.05600	2.2
287.09177	0.5
288.05948	5.3
288.09308	0.9
331.14255	0.4
390.22159	0.5
403.04315	0.4
420.14459	0.4
432.09280	0.4
439.48907	0.3
450.11356	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	450.1625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65096	0.2
59.01385	21.9
61.98837	100.0
71.01387	3.1
76.25437	0.2
85.02976	0.5
89.02451	3.5
101.02457	2.9
113.02453	1.6
115.07682	2.8
116.07957	0.4
119.03513	1.9
121.57725	0.2
122.57740	0.3
136.65433	0.3
148.05977	0.3
154.64558	0.3
159.06633	3.4
160.06935	1.4
163.11284	1.4
207.10313	3.0
246.74883	0.3
249.62572	0.3
387.16678	42.8
388.17056	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28650	0.5
53.30041	0.5
57.03457	0.7
59.01392	30.0
61.98841	100.0
63.85353	0.5
67.26495	0.6
71.01378	5.0
76.05295	0.6
76.94050	0.5
83.01415	0.6
85.00855	0.6
85.02975	1.4
89.02445	6.7
96.95995	1.1
101.02433	4.8
105.45361	0.5
107.01406	0.9
109.02924	1.0
110.99943	0.6
113.02487	2.5
114.39671	0.6
119.03519	2.2
124.21607	0.6
125.02470	4.5
126.02761	1.0
139.54559	0.6
151.00369	1.3
154.01454	2.5
155.01746	0.7
163.11304	14.5
178.99892	0.9
180.67374	0.6
215.07115	1.0
244.76849	0.6
259.06165	3.2
260.06445	6.7
281.99689	0.6
287.05814	1.0
288.06012	4.9
335.76208	0.6
345.26004	0.6
387.16644	54.2
422.11633	0.8
450.11288	1.0
450.20786	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	450.1986
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83108	0.3
59.01387	9.2
60.01706	0.8
61.01820	0.4
61.98833	100.0
66.68902	0.3
67.14314	0.3
71.01388	2.1
72.01699	0.3
72.99305	0.5
85.02955	0.6
88.98813	0.4
89.02447	1.5
96.95960	0.3
101.02445	1.8
109.02944	1.4
113.02455	0.6
114.39952	0.4
119.03438	0.3
119.05061	0.3
121.02974	0.3
124.01730	0.4
125.02386	0.6
128.93221	0.3
130.99872	0.4
135.04506	0.4
151.03958	0.4
153.01877	0.4
165.01942	0.7
166.02364	0.6
171.50568	0.3
200.74350	0.3
244.06836	0.6
263.86758	0.3
269.04587	0.5
270.04947	1.4
287.05667	0.6
288.05936	1.6
308.23920	0.4
328.33853	0.3
390.21414	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	449.2762
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.0
57.03466	1.7
58.00606	0.4
59.01388	15.8
60.11203	0.2
61.98860	0.3
69.03442	0.4
71.01385	10.5
72.99306	1.2
73.02948	2.7
75.49347	0.3
81.79049	0.3
83.01395	2.9
85.02953	7.2
86.00101	0.4
86.96691	0.3
87.00891	2.2
89.02435	3.3
95.01395	1.2
96.96011	1.5
99.00893	1.2
101.02438	6.6
111.00868	7.6
112.01686	0.4
113.02428	2.8
113.09756	0.5
119.03516	0.5
121.02973	0.3
124.07635	1.3
125.02435	0.4
125.09628	0.4
127.11299	1.1
129.01909	0.5
141.12897	0.3
153.01326	0.3
154.99849	0.5
173.00900	1.5
176.04747	0.3
239.20216	0.5
241.21754	1.4
269.21201	4.5
274.02765	0.3
285.20734	1.3
287.13928	1.7
287.22302	45.5
288.22653	0.5
385.72296	0.3
431.26633	2.1
449.27609	100.0
450.28012	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.313
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22674	1.9
66.04805	1.6
73.79903	1.9
120.27734	2.1
127.68848	2.2
200.40071	2.1
215.46779	2.1
255.23332	100.0
255.75713	2.3
379.63098	2.5
450.01413	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	450.1261
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55105	0.2
59.01388	4.2
61.98838	100.0
62.73036	0.2
67.62257	0.2
71.01395	1.1
85.02985	0.3
87.00890	0.3
89.02462	0.9
94.16118	0.2
96.96011	0.8
113.02428	0.3
121.02948	0.4
125.02437	0.4
133.01387	0.2
154.01552	0.3
163.11159	0.3
165.05579	0.3
207.06686	0.4
271.09866	0.3
300.60791	0.2
364.96094	0.2
387.16565	1.6
405.52771	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2762
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
50.22523	0.4
54.58959	0.4
55.01878	1.8
57.03458	0.6
59.01386	14.2
71.01382	9.5
72.08941	0.4
73.02956	3.0
73.94527	0.4
80.39284	0.4
83.01398	3.0
85.02956	7.2
86.00140	0.4
87.00890	1.0
89.02450	3.2
94.17400	0.4
95.01415	0.7
96.02056	0.4
98.60290	0.4
99.08158	0.7
101.02445	7.2
101.19310	0.4
111.00887	7.4
113.02465	3.7
124.01688	0.5
131.82204	0.5
141.12898	0.6
154.99854	0.5
173.00876	0.5
249.14937	0.6
261.20798	0.4
269.21161	3.4
271.45697	0.5
285.20700	0.6
287.22333	42.0
329.23309	0.6
431.26657	2.8
449.27634	100.0
450.27994	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	449.2398
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	1.0
59.01384	100.0
59.25835	0.5
60.11064	0.5
61.98834	35.0
62.98539	0.6
64.35050	0.4
66.73907	0.4
71.01379	12.1
73.02943	2.3
78.45924	0.4
83.01411	0.8
85.02969	4.1
87.00866	0.5
89.02444	9.0
95.01390	0.8
96.95998	1.0
97.02921	0.5
97.06609	0.5
101.02432	6.1
105.01959	0.6
109.02954	0.7
113.02480	5.5
115.07643	2.2
119.03465	4.5
125.02441	2.8
137.02455	1.0
139.00403	0.6
149.02463	0.5
153.01884	1.1
159.06636	3.2
161.04567	4.2
177.01990	0.9
179.05583	4.0
227.12968	0.8
227.16505	0.8
234.83977	0.5
257.60965	0.5
287.05820	0.5
287.09290	2.3
387.16669	2.8
389.21924	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	449.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03442	0.6
59.01388	100.0
60.01716	0.6
61.01805	0.6
61.98835	5.0
71.01380	8.4
71.05050	0.6
71.58022	0.3
72.99326	0.4
73.02950	2.3
73.89281	0.3
83.01394	1.3
85.02953	3.1
89.02447	3.5
95.01356	0.8
96.96030	0.5
99.00861	0.6
101.02437	6.2
109.02960	0.7
113.02438	4.3
119.03449	0.4
119.05032	0.6
121.02969	0.8
123.00875	0.4
123.04518	6.6
124.04765	0.5
125.02422	3.3
135.04515	0.7
136.01634	0.5
137.02409	2.3
139.07668	1.7
143.03421	0.6
149.02454	0.7
151.00404	0.5
153.09212	0.5
155.10808	4.5
159.04572	0.4
161.02470	0.8
161.04567	5.6
163.04047	1.4
165.01901	0.4
179.05611	0.4
193.01422	0.5
197.05951	0.4
227.12836	2.0
227.16574	6.8
287.05481	1.8
287.09131	3.3
335.67526	0.4
387.16342	0.5
389.21902	10.3
419.22931	0.4
449.10641	0.7
449.23853	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	449.2402
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	0.5
57.03442	0.6
59.01388	100.0
60.01716	0.6
61.01805	0.6
61.98835	5.0
71.01380	8.4
71.05050	0.6
71.58022	0.3
72.99326	0.4
73.02950	2.3
73.89281	0.3
83.01394	1.3
85.02953	3.1
89.02447	3.5
95.01356	0.8
96.96030	0.5
99.00861	0.6
101.02437	6.2
109.02960	0.7
113.02438	4.3
119.03449	0.4
119.05032	0.6
121.02969	0.8
123.00875	0.4
123.04518	6.6
124.04765	0.5
125.02422	3.3
135.04515	0.7
136.01634	0.5
137.02409	2.3
139.07668	1.7
143.03421	0.6
149.02454	0.7
151.00404	0.5
153.09212	0.5
155.10808	4.5
159.04572	0.4
161.02470	0.8
161.04567	5.6
163.04047	1.4
165.01901	0.4
179.05611	0.4
193.01422	0.5
197.05951	0.4
227.12836	2.0
227.16574	6.8
287.05481	1.8
287.09131	3.3
335.67526	0.4
387.16342	0.5
389.21902	10.3
419.22931	0.4
449.10641	0.7
449.23853	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	449.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18220	0.3
55.01900	0.4
57.03452	1.5
58.00608	0.6
59.01393	33.7
59.39233	0.3
60.01725	0.4
61.01803	0.4
61.98841	100.0
62.98538	0.9
68.81107	0.4
71.01385	8.4
72.99316	0.7
73.02963	1.7
78.95940	0.4
83.01389	0.9
83.05022	0.4
85.02959	21.7
87.00888	0.6
87.04546	0.4
88.98814	0.9
89.02444	9.1
95.01447	0.6
96.96020	6.1
98.95499	0.4
99.04561	0.4
99.62944	0.3
100.87538	0.4
101.02447	4.4
103.72346	0.4
113.02448	3.3
116.92859	0.6
117.07111	1.6
119.03494	3.2
121.02973	0.5
125.02439	0.7
133.02979	0.5
137.02446	0.4
150.03325	0.3
158.64346	0.4
161.04579	0.6
165.01950	0.8
165.09210	0.7
166.66661	0.4
177.01933	1.7
179.05597	1.6
183.10356	0.6
227.07085	0.4
227.09271	0.4
227.12930	2.7
239.63263	0.4
247.69746	0.4
251.12900	0.7
266.85168	0.4
269.13989	6.8
270.04877	0.4
287.05588	1.6
287.09137	0.8
345.15353	0.6
387.16400	0.4
389.18149	2.8
389.22287	0.5
413.18372	0.6
449.20166	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	449.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03456	0.6
59.01393	81.9
60.01724	0.4
61.59182	0.4
66.18481	0.3
69.08488	0.3
69.98875	0.4
71.01395	3.5
71.68901	0.5
72.99315	0.5
73.02956	2.2
77.51912	0.4
83.01408	0.9
83.39279	0.4
85.02974	1.4
85.91359	0.3
88.58545	0.4
89.02458	2.0
89.89029	0.3
92.10126	1.6
98.56565	0.3
99.04494	1.6
100.64710	0.4
101.02461	0.7
102.26923	0.3
107.60921	0.4
111.00905	0.7
113.02456	1.8
136.77693	0.4
151.00327	2.1
152.34413	0.4
165.12877	2.4
207.13879	4.2
209.11824	8.2
225.14983	8.5
227.12920	43.1
251.12910	0.8
268.74899	0.4
269.13992	9.6
287.15042	100.0
288.15292	0.7
329.16296	2.0
389.17960	0.8
389.22229	0.6
394.33078	0.4
449.20346	5.5
463.09317	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2034
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83384	0.7
55.01902	0.8
57.03466	2.9
58.00594	0.8
59.01392	58.8
60.01695	0.8
61.98840	100.0
62.98547	1.3
71.01387	16.3
72.99324	1.0
73.02937	1.5
83.05054	0.6
84.28280	0.7
85.02448	1.7
85.02958	40.1
85.03455	1.5
87.00887	1.1
88.98795	0.8
89.02448	18.1
89.81435	0.6
92.67115	0.7
95.01408	1.3
96.96020	13.9
96.96948	1.4
98.95628	0.9
101.02436	9.9
102.16203	0.8
109.02949	2.8
113.02417	5.3
116.19363	0.7
117.07100	1.7
119.03506	7.1
121.02967	0.8
124.01610	0.7
125.02459	3.9
137.02446	1.8
161.04573	1.1
165.01920	4.9
177.01936	1.6
179.05670	3.1
183.10303	1.1
227.09294	1.0
227.12943	7.3
238.17117	0.8
243.06647	0.9
247.72551	0.7
251.12805	1.0
257.08157	1.3
268.49164	0.7
269.13934	16.1
287.05649	4.7
287.09106	1.8
292.83554	0.9
389.18307	3.3
431.19647	1.1
449.20322	18.3
452.38467	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	9.8
59.01396	54.9
59.14798	7.8
60.95526	8.3
61.85215	7.3
61.98840	100.0
75.06669	8.2
85.02971	18.6
111.00862	71.7
114.39835	13.7
173.00941	13.2
184.32530	8.6
251.16626	73.5
276.19958	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	449.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20943	3.3
51.62793	3.0
52.92564	3.5
53.31299	3.2
59.01383	57.7
60.76378	3.5
71.01392	3.5
72.99380	3.8
77.00502	3.3
83.01419	4.9
85.02965	19.3
87.19159	4.4
89.02474	4.4
93.03493	4.8
96.96017	25.6
101.02460	6.4
111.00899	100.0
120.38433	5.8
124.01656	22.5
125.02467	35.1
135.04527	6.0
137.02475	5.5
149.99590	20.4
154.99913	4.7
157.28465	4.6
163.02545	7.4
168.00626	36.1
168.40453	3.8
169.01624	4.7
173.00896	24.8
237.00812	4.6
251.16592	53.7
285.04126	20.2
324.00909	4.3
355.08267	16.3
389.21649	6.3
449.11060	42.1
449.19208	5.5
467.09387	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	449.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
60.98005	37.6
61.98843	87.0
63.33030	33.5
78.95893	65.9
89.46503	34.5
147.24480	40.3
152.99551	71.9
167.55847	41.9
279.75208	43.8
282.70355	47.6
362.47305	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20943	3.3
51.62793	3.0
52.92564	3.5
53.31299	3.2
59.01383	57.7
60.76378	3.5
71.01392	3.5
72.99380	3.8
77.00502	3.3
83.01419	4.9
85.02965	19.3
87.19159	4.4
89.02474	4.4
93.03493	4.8
96.96017	25.6
101.02460	6.4
111.00899	100.0
120.38433	5.8
124.01656	22.5
125.02467	35.1
135.04527	6.0
137.02475	5.5
149.99590	20.4
154.99913	4.7
157.28465	4.6
163.02545	7.4
168.00626	36.1
168.40453	3.8
169.01624	4.7
173.00896	24.8
237.00812	4.6
251.16592	53.7
285.04126	20.2
324.00909	4.3
355.08267	16.3
389.21649	6.3
449.11060	42.1
449.19208	5.5
467.09387	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	449.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
56.33098	18.1
57.48004	18.9
59.01392	100.0
84.87553	25.1
93.16992	23.4
99.96556	26.9
175.98578	26.8
245.72548	28.3
294.65863	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	449.1212
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42799	0.7
59.01401	5.4
60.98520	0.7
61.98837	100.0
63.97017	0.8
64.35208	0.9
70.70985	0.9
79.45599	0.7
85.02994	1.0
111.00932	4.8
141.70909	0.8
170.07245	0.9
173.00937	1.2
189.48840	0.8
251.16446	1.2
303.68747	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94119	0.1
59.01385	7.1
61.98870	0.2
70.73743	0.2
71.01390	1.3
73.02943	0.3
85.02914	0.3
89.02460	0.4
90.54215	0.2
92.10728	0.3
101.02438	0.7
102.64397	0.2
111.00890	0.2
113.02462	0.2
117.03471	0.2
119.05066	0.8
133.80000	0.2
137.02495	0.2
141.07123	0.8
143.05037	6.6
149.55576	0.2
151.00403	0.2
157.06604	1.7
157.07707	0.2
159.08182	2.4
180.07965	0.3
181.06625	1.0
182.07394	1.4
183.08180	2.8
185.06104	14.7
222.51839	0.2
225.05675	1.1
227.07182	100.0
228.07478	1.2
241.08667	1.2
287.15137	1.8
314.08139	0.3
330.11304	0.3
344.12686	0.3
345.13510	1.2
375.55917	0.2
389.12491	5.2
389.21631	0.3
419.17361	0.2
449.19388	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82823	0.5
59.01390	1.0
63.02414	1.2
63.41550	0.4
65.00330	10.8
82.18753	0.5
83.01391	4.5
86.18721	0.4
89.95621	0.5
96.13862	0.5
107.01398	22.2
109.02949	0.9
111.00786	0.5
125.02441	4.5
128.40242	0.5
134.03763	1.2
135.04524	83.0
136.01675	0.8
151.00378	100.0
164.01118	0.6
199.04240	0.5
203.93037	0.5
227.07156	2.2
269.04495	0.7
287.05649	49.4
288.05801	0.8
449.10956	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	449.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	7.8
58.00615	0.8
59.01391	60.6
61.98832	2.7
63.02417	1.2
65.00334	7.1
69.39857	0.6
71.01385	10.8
72.99311	3.5
73.02943	1.1
74.58989	0.5
74.97308	0.5
81.03472	5.7
83.01397	9.5
85.02958	13.4
88.98836	0.7
89.02457	8.7
92.66722	0.6
93.03470	5.6
95.01407	1.1
96.96005	3.7
97.02965	1.1
101.02445	7.6
101.54247	0.6
105.30185	0.5
107.01393	8.2
107.05044	0.8
109.02953	3.4
111.00920	0.7
113.02473	4.5
119.03486	3.9
119.04970	0.6
121.02940	7.7
123.00903	1.1
123.04498	3.8
124.01664	4.1
125.02449	69.8
125.74848	0.6
126.02786	0.7
130.04198	0.6
131.01350	1.3
131.05064	1.1
133.02950	4.1
134.03757	0.7
137.02434	3.3
139.04010	3.2
145.06566	0.8
147.04512	0.6
149.02432	4.1
151.00383	26.4
151.04025	0.6
152.01176	5.9
153.01906	6.8
154.01471	16.9
155.01843	8.1
156.00768	0.7
157.06543	0.7
158.03712	1.2
159.04503	1.4
161.02460	0.8
165.01921	5.1
167.03484	1.1
169.01343	2.8
172.05368	5.4
173.06094	12.9
175.00339	3.4
175.03967	4.1
177.01872	1.0
177.05595	6.9
178.99870	16.7
179.05428	0.6
181.01399	2.6
183.10310	0.9
187.07664	1.0
197.06064	1.0
199.07651	2.6
200.04890	0.9
201.05638	4.7
213.05629	0.7
215.07173	16.0
227.12720	0.8
241.05046	2.6
243.06581	7.1
253.61592	0.7
255.06609	0.7
257.08365	1.1
259.06128	100.0
269.13940	1.2
273.07639	1.0
283.06116	14.7
287.05637	59.7
288.05908	0.7
301.07178	6.4
311.05579	0.8
313.07288	1.3
341.04977	0.8
345.15640	3.3
346.33368	0.7
411.29224	0.6
413.18030	0.9
421.11459	12.1
449.11072	12.5
449.20276	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1099
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23176	0.8
54.13948	0.8
56.97237	0.8
57.03466	2.1
57.65494	0.8
58.19544	0.7
59.01395	10.7
63.02431	1.3
63.62906	0.8
65.00334	17.8
67.18393	1.0
83.01412	10.6
89.02479	1.2
107.01411	31.3
109.03003	1.5
111.00925	1.3
113.53559	1.0
116.42934	0.9
123.04538	11.6
124.01693	5.3
125.02454	30.2
133.02896	3.4
135.04521	1.5
149.02495	4.6
150.03265	24.1
151.00386	100.0
151.04015	23.7
152.01169	26.4
153.01924	4.0
175.03960	6.7
177.01936	5.3
178.99881	16.0
189.05589	1.3
199.03999	5.2
217.05110	3.6
234.81960	1.0
241.05112	1.5
257.03842	1.3
271.02707	1.2
272.02747	2.3
273.02982	3.0
275.05640	1.2
285.04102	48.6
286.04178	1.1
297.09781	5.1
300.02942	1.3
301.03229	5.2
302.03641	8.3
303.05081	17.1
323.07758	1.1
325.19760	1.0
389.21951	1.3
449.10712	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	449.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	1.4
59.01385	37.6
61.98833	19.1
63.02403	11.0
64.35239	0.8
65.00320	12.7
68.91604	0.7
71.01388	10.7
72.99277	0.8
73.02927	1.9
78.61391	0.9
81.03465	0.8
83.01390	9.8
83.65671	0.8
85.02943	1.7
89.02428	10.1
93.03441	5.5
95.01349	1.0
95.04983	4.1
101.02418	5.1
107.01390	21.8
109.02919	4.1
113.02422	4.5
117.03431	5.8
119.03488	1.9
119.05038	18.2
121.02909	5.0
121.06617	1.1
122.03719	1.1
123.04456	4.2
124.01678	9.7
125.02459	13.0
133.02826	1.0
134.03725	3.6
135.04526	8.9
137.02338	3.7
137.06021	1.1
139.00320	2.1
141.02040	1.1
149.02487	1.1
151.00374	50.2
151.03865	1.5
151.99989	1.9
152.01163	57.3
159.04451	1.7
161.04579	1.0
169.01428	8.2
173.05998	1.4
177.01793	1.1
177.05515	2.0
178.98433	1.6
178.99869	35.2
187.07619	3.5
196.05252	1.1
197.05956	1.3
202.06337	3.3
225.05412	4.8
227.03470	1.0
231.10110	1.7
239.20111	1.1
243.06483	1.8
243.10272	70.2
254.05669	1.1
259.05927	5.7
269.04584	100.0
286.04514	1.4
287.05450	3.8
287.08810	1.2
411.16782	10.8
449.10635	54.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.98750	0.2
57.03489	1.0
59.01388	13.5
59.55932	0.2
61.98874	0.9
62.47259	0.2
63.02404	3.4
65.00330	5.7
71.01391	4.0
73.02991	0.2
83.01383	4.5
85.02996	1.0
89.02457	2.9
92.10727	0.4
93.03505	1.1
95.10303	0.2
96.49723	0.2
101.02433	1.8
107.01394	8.5
108.99368	0.2
109.02999	1.0
111.00954	0.3
113.02507	1.5
117.03470	5.3
119.03539	0.4
119.05086	1.1
121.03027	0.4
123.00954	0.5
123.04583	0.3
124.01679	2.8
125.02448	4.7
133.02989	0.4
134.03790	1.0
135.04539	3.2
137.02478	0.9
137.54213	0.3
149.02478	1.2
151.00391	18.0
152.01170	13.9
155.05017	0.5
157.06596	0.2
159.04523	0.9
165.01929	5.2
169.01462	1.8
169.06621	1.6
173.06105	0.5
177.05673	1.1
178.99861	5.7
180.05858	0.4
181.06639	1.0
183.04544	0.5
196.05350	1.1
197.06174	2.2
199.04070	1.0
201.05640	1.1
213.05621	0.3
224.04842	0.3
225.05612	6.3
227.03607	0.5
241.05130	0.4
243.06586	0.4
259.06149	2.5
269.04602	100.0
270.05045	1.3
287.05713	3.0
306.24860	0.3
332.22592	0.2
389.21906	1.7
449.10907	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41850	0.7
57.03466	3.0
59.01383	1.5
59.99285	0.6
63.02419	1.0
64.98789	0.7
65.00324	19.7
67.86674	0.7
68.20630	0.6
83.01384	10.7
91.27016	0.7
92.75994	0.7
107.01396	34.2
109.02980	1.3
120.05188	0.8
121.02978	0.7
122.03755	1.1
123.00887	1.0
123.04510	10.7
124.01662	6.4
125.02444	35.3
133.02907	5.2
135.04572	1.8
147.04510	0.8
149.02448	5.0
150.03224	29.3
151.00381	100.0
151.04022	26.8
152.01157	24.8
153.01991	4.0
161.02483	0.9
169.01433	1.7
174.03256	0.9
175.03961	5.5
177.01863	6.1
178.99883	22.0
180.00677	1.0
189.05563	1.8
199.03923	5.5
201.01965	1.4
213.05594	1.4
217.05159	5.2
229.05058	1.0
230.53894	0.8
241.04996	3.0
257.04675	0.8
267.02783	0.8
275.05548	0.8
285.04071	59.0
297.09903	4.1
302.04330	2.7
303.05170	20.7
323.07663	3.0
380.62115	0.7
387.47891	0.8
449.11017	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	449.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	0.7
57.03456	11.0
57.84119	0.5
59.01387	34.3
60.01723	1.0
61.01810	0.7
61.98836	43.5
63.02407	1.9
65.00328	3.4
71.01377	4.7
73.02953	1.0
74.80289	0.4
81.03465	1.9
83.01394	8.8
85.02953	2.8
89.02453	2.4
93.03462	3.9
95.01413	0.7
96.96035	0.6
97.02942	0.5
99.00941	0.5
101.02436	3.8
107.01402	6.6
107.05025	1.0
109.02966	2.0
111.00895	0.5
113.02461	2.6
117.03460	2.6
121.02976	4.6
123.04521	4.5
124.01646	0.9
125.02448	100.0
130.04300	0.5
131.04947	0.5
133.03021	1.7
135.04500	0.5
137.02492	2.1
139.03996	1.9
149.02461	8.1
151.00391	23.2
152.01155	5.9
153.01950	8.7
154.88300	0.5
155.05118	0.7
157.06598	0.6
158.03819	0.7
159.04565	0.8
161.04562	2.9
163.00398	0.9
165.01941	9.2
167.03455	0.5
169.01430	0.6
169.06569	0.7
172.05226	0.8
173.06100	5.6
175.03981	0.5
176.01186	1.2
177.02036	0.6
177.05563	3.1
178.99883	11.5
179.03464	3.8
181.01302	0.6
181.06535	0.7
191.81755	0.5
197.06155	2.8
199.03998	2.1
199.07686	1.0
201.05588	5.3
203.03694	0.5
203.10501	0.5
211.11823	0.5
213.05688	1.9
215.07153	4.0
225.05641	4.6
241.05080	3.8
243.06633	4.9
259.06158	58.2
269.04605	56.5
283.06030	0.8
287.05716	35.3
287.09244	3.7
311.05658	0.7
311.79529	0.5
342.05783	1.0
368.35840	0.7
369.12698	0.5
389.21991	8.1
421.11755	1.9
431.09845	2.0
449.10971	51.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05193	0.3
57.03455	8.8
58.70437	0.3
59.01387	19.5
60.01731	1.8
61.10075	0.3
61.98837	100.0
63.02419	0.5
65.00336	2.1
68.38020	0.4
69.03444	0.4
71.01403	2.8
73.02975	0.6
81.03472	1.7
83.01395	6.7
85.02987	0.6
89.02462	2.5
93.03442	1.0
95.01376	0.4
96.95983	0.7
97.02983	2.1
100.68169	0.4
101.02453	1.6
107.01399	4.1
107.05036	0.6
109.02957	1.8
113.02448	0.7
116.92860	0.5
117.03474	1.6
119.03539	0.4
121.02949	0.9
123.00938	0.5
123.04572	0.8
124.01665	0.9
125.02451	68.8
133.02936	1.8
137.02457	0.5
139.04065	1.5
149.02473	5.9
151.00391	16.5
152.01166	3.8
153.01962	5.5
153.09160	0.5
157.06569	0.6
158.88445	0.4
159.04559	0.6
161.04552	0.7
165.01921	2.0
169.01399	0.7
169.06563	0.8
172.05301	1.0
173.06076	3.6
176.01166	0.7
177.05510	2.3
178.98625	0.5
178.99905	8.1
179.03491	0.9
180.05685	0.7
181.06590	0.7
183.04495	0.6
196.05205	0.6
197.06021	2.2
199.03906	0.6
201.05534	3.0
203.03384	0.4
213.05556	0.4
215.07237	4.3
225.05547	3.3
241.05063	1.6
243.06708	2.9
259.06146	42.8
269.04593	40.8
283.05969	0.6
287.05658	24.2
287.08755	0.9
342.05954	0.5
349.66403	0.5
387.19687	0.7
388.20535	0.8
431.09772	0.4
439.75293	0.4
449.10980	34.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1107
Annotation	Unknow
Peak:m/z	Relative Intensity
56.04691	0.1
57.67286	0.1
59.01387	6.3
60.01717	0.7
61.01812	0.7
61.70390	0.1
61.98837	100.0
68.83786	0.1
71.01391	1.0
74.12785	0.1
85.02963	0.6
89.02441	1.1
90.02795	0.2
95.01377	0.1
96.96000	0.8
96.96934	0.2
101.02454	0.6
113.02424	0.2
116.92867	0.5
119.03493	0.2
120.03850	0.1
125.02441	0.7
135.04459	0.1
137.02415	0.1
151.03951	0.2
154.01472	1.0
161.04601	0.1
175.00406	0.1
179.05537	0.2
180.06091	0.2
181.06007	0.1
190.02747	0.2
193.40089	0.1
205.05153	0.2
389.69516	0.1
401.97400	0.1
449.20206	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.1831
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	3.9
60.01720	0.7
61.01834	0.5
61.98837	100.0
71.01389	0.8
72.01746	0.1
72.39177	0.1
85.02990	0.1
89.02446	0.7
91.02882	0.1
91.89680	0.1
96.96008	0.2
97.33649	0.1
101.02456	0.3
109.36494	0.1
113.02457	0.1
119.03501	0.2
125.02428	0.2
154.01465	0.6
163.72922	0.1
179.22462	0.1
181.06143	0.2
240.31277	0.1
358.68893	0.1
402.15103	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.183
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25491	0.2
57.03452	1.9
59.01385	15.8
60.01717	1.9
61.01815	0.4
61.98835	100.0
69.03449	0.5
71.01376	2.7
72.01734	0.4
83.01408	0.4
85.02972	0.5
89.02438	2.9
90.02747	0.4
93.03443	0.3
95.01379	0.4
97.02940	0.3
101.02441	1.2
107.01402	1.7
109.02954	1.4
113.02460	1.1
119.03507	0.5
121.02956	0.6
123.00893	1.3
123.04515	1.5
124.01669	0.5
125.02445	21.7
126.02774	0.6
133.02950	0.4
135.04451	0.3
135.47417	0.2
137.02446	0.6
139.03995	0.6
145.02924	0.4
149.02380	0.6
151.03981	1.7
161.02415	1.2
161.04561	0.4
163.04066	0.3
164.01085	0.3
165.01833	0.4
166.02716	0.3
167.03510	4.0
169.01447	10.6
170.01752	0.5
175.03952	0.4
177.01971	4.4
179.05649	0.6
187.04082	0.3
193.01352	0.3
205.05040	0.3
227.03459	0.3
243.02934	0.5
251.70840	0.3
255.02930	0.6
256.03732	0.3
289.07095	1.6
303.05115	0.4
319.04645	2.1
348.60635	0.3
388.20236	0.4
400.71924	0.4
407.07730	3.2
408.07889	0.4
441.08002	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54270	0.6
57.03458	14.2
59.01386	29.4
60.01720	1.1
61.98835	11.7
69.03479	0.8
71.01401	2.6
73.02957	1.3
74.94710	0.6
80.20041	0.7
81.03478	1.3
83.01437	1.7
85.02983	1.2
89.02474	3.1
92.10132	1.5
93.03488	0.8
95.01430	1.5
96.96009	0.9
97.02983	0.9
101.02457	1.3
107.01421	7.4
109.02972	8.3
110.57133	0.7
121.02962	3.0
123.00867	6.1
123.04522	4.9
124.01645	1.4
125.02454	100.0
126.02782	3.6
135.04565	1.1
137.02461	7.7
139.04025	3.5
145.02953	2.9
147.04546	0.8
149.02512	5.6
150.03241	1.0
151.00375	3.8
151.04037	8.5
155.13217	0.7
159.04526	2.5
161.02470	0.8
161.06044	1.3
163.00381	1.3
163.04056	0.8
163.32500	0.6
164.01135	1.3
165.01923	2.7
166.02768	0.7
167.03520	15.7
169.01447	28.3
170.01773	1.4
171.04323	0.7
175.04008	4.0
177.01944	29.3
178.02245	1.5
179.03517	1.0
187.03986	3.0
189.05342	0.7
193.01468	1.2
199.03993	1.2
203.07126	1.4
205.05095	1.1
216.04077	0.7
227.03542	4.4
228.03905	4.6
243.02980	1.4
245.08205	2.7
253.04982	1.4
255.02928	4.9
256.03391	7.2
257.04498	0.9
271.02841	0.6
271.06201	4.6
272.02872	1.5
284.03214	2.8
285.03970	7.6
286.04495	1.6
289.07239	13.0
290.07568	1.1
300.02615	1.6
301.03262	3.4
302.03964	1.5
303.05078	3.9
319.04633	6.6
329.02451	0.8
372.06625	6.0
372.56836	1.2
388.20245	0.8
407.07724	8.2
408.08304	1.2
423.07761	0.7
441.07986	2.7
448.09604	9.3
467.10208	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.0
58.00591	0.7
59.01387	100.0
59.11055	0.4
60.04987	0.4
61.98839	4.2
62.78141	0.4
67.67758	0.4
67.90085	0.4
71.01385	11.4
71.21558	0.5
72.16329	0.4
73.02950	4.6
76.42524	0.5
80.91679	0.5
81.03477	1.9
83.01405	0.8
85.02958	3.1
87.00872	0.5
88.98807	0.7
89.02445	13.9
96.96020	6.0
97.02936	0.5
99.04531	3.0
101.02459	6.8
111.00914	0.9
113.02461	4.7
116.92828	0.9
119.03506	4.4
123.00901	0.6
123.04521	0.8
124.01705	0.5
125.02433	4.0
125.09695	0.7
126.25364	0.4
131.03487	0.8
133.04922	0.5
143.03479	0.5
149.04478	0.5
149.99561	0.7
151.07689	4.5
161.02348	0.5
161.04556	3.0
166.10567	0.4
167.03580	0.6
167.10860	0.4
168.00667	1.8
179.05618	7.1
217.42068	0.5
387.16327	0.9
387.20721	1.0
447.11459	2.7
447.19534	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	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52811	0.4
56.73811	0.4
57.03463	1.2
59.01384	100.0
59.49611	0.5
61.74352	0.4
63.02416	0.4
64.34942	0.4
65.00339	0.6
66.53856	0.5
68.18296	0.5
71.01379	19.4
72.99316	0.9
83.01396	1.1
85.02959	4.0
86.93002	0.5
87.00876	1.1
89.02441	29.4
95.01371	0.9
101.02449	8.1
107.01389	1.0
109.02995	0.9
113.02457	7.4
119.03503	11.3
121.02996	0.5
125.02433	0.6
131.03490	0.6
143.03520	1.1
151.00348	4.7
161.04584	3.1
169.04999	0.7
178.99879	1.2
179.05632	11.6
180.05792	1.1
181.06631	5.3
183.04539	3.0
225.05611	55.2
226.05943	1.2
227.03584	2.2
243.03021	3.0
255.03052	8.8
271.02487	11.4
284.03403	0.9
285.04065	3.3
293.02032	1.1
300.02789	15.3
301.03525	10.5
302.03714	0.7
303.04251	0.8
315.08795	0.7
374.04724	0.6
374.54626	0.8
387.20511	1.1
404.65805	0.6
447.09299	10.9
447.16211	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3481
Annotation	Irisoquin E
Peak:m/z	Relative Intensity
50.70954	0.7
59.01384	1.8
72.88846	0.9
73.65726	0.7
80.72260	0.9
92.10217	1.4
99.04064	0.9
101.00449	1.1
102.55624	0.8
121.06617	8.1
125.91203	0.9
136.05316	4.1
149.06088	100.0
175.84859	0.9
193.89177	1.0
271.09760	1.0
432.32693	3.7
447.34848	52.1
447.41135	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	448.0729
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	7.7
59.01387	100.0
60.01722	5.6
61.01815	0.8
61.98837	76.8
67.54914	0.7
69.03458	1.6
71.01382	9.1
72.99361	0.7
83.01417	1.5
85.02976	3.0
89.02437	15.0
90.02811	0.9
93.03463	0.9
95.01419	1.4
97.02971	1.5
101.02430	6.1
105.03444	0.8
107.01394	7.1
109.02961	6.1
113.02466	4.4
119.03494	6.5
121.02916	1.3
123.00895	6.2
123.04510	4.6
124.01667	3.0
125.02441	75.6
126.02796	3.6
135.04532	1.7
137.02406	5.7
139.00339	0.9
139.04008	3.5
149.02426	3.6
150.03148	0.8
151.00369	1.6
151.03993	6.4
159.04552	1.4
161.02386	1.2
161.04562	1.7
165.01959	0.9
166.02771	1.3
167.03502	15.8
168.00658	0.9
168.03864	0.7
169.01439	30.6
170.01791	1.7
175.03987	2.8
177.01936	19.1
178.02303	1.4
179.05643	5.6
185.06036	0.7
187.04077	1.1
187.89821	0.8
193.01428	3.4
199.03972	1.3
203.07152	1.1
205.04945	1.1
219.10596	0.7
229.05124	0.8
243.02931	1.2
255.02916	3.1
256.03641	1.0
269.04303	0.9
271.05994	1.4
285.04108	3.2
287.05466	1.2
289.07236	6.7
303.05191	1.7
319.04761	7.7
339.99741	0.8
387.20297	1.6
388.20648	1.6
407.07733	12.4
408.08188	1.1
441.08167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
68.61848	0.3
71.01382	6.3
85.02948	1.2
87.00919	0.3
89.02445	11.3
95.01395	0.3
101.02448	3.4
107.01373	0.5
113.02468	2.9
119.03488	4.1
143.03560	0.6
149.04530	0.4
151.00410	1.3
161.04642	0.7
178.99934	0.5
179.05602	4.0
180.34470	0.3
183.04514	1.2
187.03966	0.4
204.59479	0.3
211.04024	1.6
212.24042	0.3
226.02673	0.3
227.03537	39.9
228.03908	1.6
229.05116	1.3
239.03494	0.3
255.03027	50.4
256.03638	4.9
270.61145	0.3
273.07446	0.3
284.03311	34.7
285.04037	10.7
304.28906	0.3
327.05341	0.5
374.45633	0.3
387.20212	1.9
447.09421	37.5
447.22241	2.6
448.09714	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00585	0.3
59.01388	100.0
60.67460	0.3
61.98840	0.5
63.86613	0.3
64.99453	0.2
67.63621	0.3
71.01385	10.5
71.01778	0.5
72.30482	0.3
72.81464	0.3
72.99319	0.5
75.66472	0.3
83.01395	0.3
85.02975	2.4
89.02450	13.5
89.03004	0.6
89.31132	0.3
95.01371	0.4
99.41270	0.3
101.02449	6.6
113.02470	4.0
113.06093	0.7
119.03511	5.8
123.04546	1.4
125.02437	0.4
128.19357	0.4
143.03514	1.5
146.12971	0.4
149.04547	0.4
157.05037	0.5
159.06606	0.6
161.04558	2.0
179.05641	11.1
180.40332	0.4
181.25789	0.4
195.38531	0.3
238.75992	0.4
246.88025	0.3
285.07449	0.4
387.20316	0.6
438.30402	0.4
447.22394	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.2242
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	0.2
57.03453	0.6
58.00607	0.4
59.01387	100.0
59.99638	0.2
60.99312	1.3
61.98830	2.8
64.98956	0.2
71.01382	15.3
72.99297	0.5
73.02937	0.6
83.01386	0.9
85.02942	3.2
87.00894	0.5
87.04010	0.3
88.98805	8.0
89.02443	19.4
92.10133	0.6
93.03451	0.3
95.01389	1.2
96.96037	0.3
99.00922	0.3
101.02441	7.4
109.06606	0.2
109.75987	0.3
113.02458	6.7
118.41094	0.3
119.03492	7.9
121.06583	0.6
123.04546	0.5
125.02447	2.2
127.04066	0.4
131.03496	1.0
133.02936	0.4
135.08179	0.3
137.09708	1.4
143.03534	1.6
149.02452	0.5
149.04527	0.4
151.04004	0.6
161.04568	3.2
163.07668	1.7
178.94736	0.2
179.05629	11.1
181.08730	2.5
194.55673	0.2
207.13811	0.3
225.07683	2.2
225.14940	1.7
285.04166	0.5
285.07727	0.4
353.99954	0.3
387.20377	2.8
420.29440	0.3
447.09314	0.4
461.89157	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82906	1.8
57.03452	2.8
59.01385	100.0
59.89619	2.4
61.42541	2.0
61.98838	2.7
65.85756	2.1
71.01393	9.4
73.02957	3.7
85.02967	5.0
87.00863	4.3
89.02450	5.5
101.02432	5.6
107.01393	3.5
126.10471	2.4
151.00389	9.3
159.77556	2.3
170.26118	3.0
181.10284	3.2
183.95953	2.7
211.13419	41.7
225.09227	29.1
227.03551	9.3
249.14905	14.0
253.09329	3.4
254.27675	2.5
255.03055	19.1
271.02457	31.2
271.13309	5.8
285.03995	4.2
300.02771	40.6
301.03516	27.5
325.14847	3.5
337.01553	3.2
345.19186	3.4
387.20142	5.1
387.27496	16.2
447.09320	33.0
447.16672	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	447.2246
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	0.3
59.01391	100.0
61.98833	0.5
71.01393	4.9
72.55078	0.2
73.02964	1.0
76.70157	0.2
81.15901	0.2
83.01424	0.6
85.02961	1.9
85.87791	0.3
87.00913	0.3
89.02441	3.0
101.02452	2.6
113.02486	2.3
119.03513	1.1
123.04525	1.6
123.08135	1.9
137.09746	1.1
144.84497	0.3
153.09227	0.4
159.03062	0.3
161.04529	3.2
163.11249	1.8
169.50920	0.3
173.92642	0.3
179.05615	1.1
189.12862	4.0
207.13976	3.7
225.14978	1.8
285.07739	1.0
327.55426	0.3
352.71619	0.3
387.20245	3.8
447.13342	0.3
447.22678	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.18
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03476	3.1
59.01385	99.5
59.21655	2.9
61.72001	3.0
61.98843	7.1
65.00341	2.9
71.01400	21.7
73.02946	5.0
83.01363	4.0
85.02953	13.1
89.02462	6.7
101.02451	15.7
107.01391	6.2
107.61877	3.9
109.02987	6.2
112.20953	4.2
113.02483	7.9
121.03003	8.0
122.03716	3.9
125.02438	4.2
151.00392	20.6
161.04510	4.4
178.99895	8.4
211.13425	42.3
223.32355	3.7
227.03468	12.8
241.04980	4.0
241.08722	21.4
243.03036	7.4
244.69713	4.1
249.15012	22.8
255.03012	37.7
271.02502	64.1
272.02945	3.9
283.88440	3.8
284.03305	8.0
285.04303	4.6
285.07776	24.2
285.11368	20.8
299.99689	6.3
300.02786	100.0
301.03561	73.8
306.17630	3.6
313.26166	3.5
343.04639	7.4
352.26309	4.1
387.27899	4.0
447.09406	76.4
447.22125	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	447.135
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82218	0.2
59.01379	0.5
61.98852	0.3
62.36395	0.2
62.96417	1.4
66.57538	0.2
78.95905	51.4
85.93501	0.2
96.96956	4.5
111.85546	0.2
147.26588	0.2
149.00104	28.5
152.99594	0.9
158.92558	2.1
175.82236	0.2
177.84241	0.2
179.01164	3.2
205.16042	2.9
240.96858	0.3
267.11771	0.4
271.02548	0.5
273.35391	0.3
285.59662	0.2
300.02765	0.3
321.61771	0.3
347.08490	0.3
417.12512	1.0
431.10342	3.8
447.13531	100.0
448.14020	1.8
464.10226	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	16.7
61.98854	4.0
75.32686	3.6
87.00906	15.6
87.32766	3.8
89.02472	4.5
89.06996	3.3
93.03459	26.3
108.02195	4.0
121.02942	5.4
125.02431	4.4
134.03743	100.0
145.02995	15.1
149.06104	40.8
151.00475	4.1
153.01961	14.8
162.03249	14.3
175.04016	16.7
177.01965	16.6
177.05544	17.5
197.06190	4.4
203.91545	4.4
209.06067	5.2
211.04126	3.7
212.12067	3.5
226.06305	15.6
227.03432	3.9
237.05589	16.6
241.05174	17.2
253.05089	18.4
255.03006	17.0
255.06754	7.1
257.08231	13.7
263.23373	3.6
265.04980	4.6
269.05347	5.7
269.08160	60.4
271.02557	20.3
281.04556	6.0
283.09872	22.9
285.07498	14.1
295.06223	8.1
297.04556	7.0
297.07724	52.5
300.02948	30.2
301.03610	24.5
311.09198	5.4
419.15042	6.3
447.07864	47.2
447.13959	47.2
447.26025	20.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	1.3
61.60167	0.6
62.35561	0.5
65.60040	0.5
65.60417	0.6
67.54205	0.5
69.03464	3.9
71.01396	5.0
72.87520	0.6
81.03444	1.3
83.01385	1.0
85.02959	0.9
87.00869	4.6
87.04485	1.0
89.02445	6.7
92.10161	1.4
95.01415	1.3
97.02957	4.6
107.01434	1.5
108.02190	0.8
109.02956	3.1
123.00883	9.7
124.01662	28.8
125.02449	81.4
133.05077	19.5
137.02454	6.9
149.99603	45.5
151.00357	4.2
151.03964	0.8
161.02397	0.7
167.03510	2.4
168.00652	86.5
169.01460	10.5
228.56671	0.6
269.06802	0.7
313.05682	14.0
331.06577	0.9
387.27783	0.7
447.11536	100.0
450.20865	0.7
471.50620	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32449	0.4
62.69806	0.4
69.03461	3.4
71.01385	4.4
81.03426	0.8
83.01383	1.1
87.00880	3.0
89.02435	6.0
92.10071	0.7
93.03429	0.5
95.01393	2.4
97.02956	3.0
105.03484	0.5
107.01406	1.1
108.02204	1.0
109.02959	2.2
113.02479	0.6
123.00887	10.3
124.01664	25.0
125.02454	69.3
133.05077	18.2
136.01712	1.9
137.02451	7.3
149.99602	42.6
151.00415	4.1
154.37585	0.6
167.03467	0.8
168.00656	76.1
169.01430	7.5
179.03546	0.9
269.06628	1.0
313.05737	10.5
331.06644	2.2
429.10605	0.9
447.11520	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	447.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55848	1.1
59.01389	13.2
61.34291	1.1
61.98833	1.3
69.03459	1.4
71.01387	17.8
78.02502	1.2
78.95910	1.4
87.00885	15.1
88.98834	1.4
89.02438	11.9
96.96010	34.3
96.96949	1.9
116.92834	8.4
119.90919	1.1
121.02909	1.3
122.33586	1.1
123.04451	1.8
124.01630	5.3
125.02454	100.0
130.66138	1.2
131.75488	1.2
133.05077	76.6
135.04532	1.6
147.59033	1.2
159.90825	1.2
165.05586	1.4
168.00647	10.7
169.01443	96.9
175.06105	1.4
189.10783	1.3
278.19751	1.5
285.08786	1.7
313.05682	9.5
328.41400	1.3
331.06778	6.6
345.32700	1.5
429.60406	1.5
447.11499	63.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1149
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48454	0.5
59.01381	4.7
68.34300	0.6
69.03458	1.6
69.11876	0.6
71.01381	4.6
80.77233	0.5
81.03461	0.8
83.01392	0.8
87.00887	3.5
88.68063	0.7
89.02441	7.3
89.46886	0.6
92.10104	1.4
95.01360	1.5
96.96004	1.4
97.02975	3.0
101.02428	0.8
104.53194	0.7
107.01376	1.1
107.35876	0.7
108.02216	1.0
109.02988	1.1
111.00883	1.3
115.27518	0.6
121.02958	1.2
123.00885	8.3
124.01653	24.5
125.02441	65.2
133.05064	16.4
136.01707	1.4
137.02469	7.5
149.99591	37.6
151.00372	4.8
165.01958	0.8
167.03485	1.6
168.00648	69.6
169.01439	8.8
179.03532	1.4
179.12108	0.7
180.04401	0.6
212.59033	0.6
269.06754	0.8
284.68771	0.7
293.82748	0.9
312.13345	0.8
313.05679	11.5
331.06924	0.8
335.51257	0.7
447.11496	100.0
448.11758	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.094
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63447	0.6
59.01385	21.1
62.33686	0.7
65.13233	0.5
67.13082	0.6
68.93320	0.5
80.53562	0.7
82.84502	0.6
85.71475	0.6
89.02451	3.0
113.02460	0.8
114.39027	0.7
129.28601	0.6
135.00870	0.7
151.00348	2.4
152.04288	0.7
163.00378	0.8
166.64264	0.6
179.05556	1.2
183.04514	1.4
183.98419	0.6
187.04030	1.1
211.03961	2.8
227.03542	95.4
228.04123	0.9
229.05130	1.3
255.03024	100.0
256.03693	7.7
257.04617	1.0
284.03314	70.5
285.04080	20.0
327.05005	0.7
404.41223	0.7
447.09415	81.3
448.09958	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.094
Annotation	Unknow
Peak:m/z	Relative Intensity
55.25724	0.3
59.01402	1.8
63.02429	0.5
65.00350	0.7
73.21350	0.3
83.01440	0.7
83.97195	0.3
89.56933	0.4
101.04577	0.3
107.01392	2.9
121.02939	0.4
125.02462	0.4
133.02963	11.6
149.02446	2.3
151.00395	9.1
165.60881	0.3
175.03975	3.4
178.99854	0.7
198.03278	0.6
199.04002	4.2
201.01987	1.6
211.04027	0.4
215.03481	1.4
217.05083	2.3
223.04207	0.4
227.03494	2.0
242.02223	1.9
243.03000	10.8
255.02914	2.4
256.03799	3.1
257.04541	3.3
270.01654	2.1
271.02530	14.4
284.03329	4.3
285.04077	100.0
286.04663	2.8
299.02014	1.4
300.02817	6.9
301.03592	4.2
314.04330	8.8
315.05106	0.6
368.36938	0.4
447.09393	36.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97633	2.9
55.01897	4.5
59.01390	75.4
61.98854	14.7
71.01388	59.8
73.02972	15.8
83.01462	3.5
85.02976	28.3
87.08925	3.4
94.40829	4.3
95.01412	5.5
99.00862	5.8
101.02456	37.6
110.36828	3.6
113.02457	32.4
135.10709	3.8
138.80127	3.6
159.03085	4.8
161.04579	100.0
188.05597	5.0
216.16862	4.3
384.03864	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	446.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
58.02989	1.1
58.04134	4.5
59.01400	7.3
61.98854	1.6
67.03024	1.2
71.01377	1.4
80.88614	1.0
81.04597	4.8
82.04649	1.1
83.02516	11.7
83.06182	1.1
85.02965	2.1
87.00912	1.2
88.03638	0.9
89.02443	1.6
92.05061	32.3
96.96012	6.4
97.02969	1.5
102.05610	9.3
106.04111	1.2
106.06621	1.2
109.04089	19.0
111.00932	5.0
120.04548	4.2
123.00925	1.5
123.04510	1.4
124.01655	6.6
124.05166	2.0
125.02463	17.4
126.06738	47.2
128.03543	30.8
133.05121	1.5
135.05675	8.5
136.04036	6.1
137.02428	2.5
146.04628	7.8
146.06125	1.1
147.05658	15.0
148.04082	29.9
149.99588	10.7
162.09261	2.0
168.00665	16.9
169.01517	2.0
173.07254	2.0
175.08653	1.1
177.01871	1.3
177.10373	15.2
189.10345	17.0
203.08409	1.4
215.08315	5.4
221.09341	6.6
226.31337	1.3
231.12560	2.7
233.09355	22.9
275.11542	53.0
289.07111	1.8
300.11026	5.9
313.05725	4.6
317.13690	10.6
360.16843	28.0
386.14877	6.8
404.15829	100.0
429.15314	10.3
431.21179	1.2
446.18042	90.4
447.11707	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	447.0937
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03806	0.7
54.74784	0.6
63.02415	0.7
65.00312	1.0
79.39895	0.7
80.12922	0.6
83.01391	1.1
92.10107	2.3
92.66686	0.7
107.01388	6.4
108.02174	3.1
109.02966	3.3
121.02953	6.0
125.02422	0.8
135.00925	1.3
142.66420	0.7
148.01656	1.1
149.02467	0.8
151.00381	22.5
153.89108	0.7
163.00337	4.8
164.01161	0.9
178.99895	10.0
199.03966	1.5
211.03986	3.3
213.02019	1.0
215.03410	1.1
226.02573	0.9
227.03563	5.6
229.05035	1.6
242.14702	0.7
243.02983	13.3
245.04584	3.5
254.02158	0.9
255.00867	0.7
255.02998	40.9
271.02512	74.5
272.03265	1.1
273.04077	1.5
283.02448	1.9
299.02042	1.5
300.02795	100.0
301.03580	71.6
319.20792	0.8
393.78952	0.9
442.41385	0.9
447.09427	63.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2093
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26560	3.0
57.03472	4.2
57.06054	3.4
57.79177	4.3
59.01394	87.5
61.78179	3.9
61.98852	25.7
62.29413	3.4
62.43764	3.7
63.02395	3.9
65.00342	6.0
65.58875	3.9
71.01398	21.0
73.02953	95.9
74.99100	17.2
83.01414	8.3
85.02985	4.8
89.02451	5.0
101.02480	9.3
107.01385	9.5
109.03030	7.8
113.02508	10.5
121.02937	5.2
125.02460	19.7
137.02475	15.3
145.02933	5.1
146.03734	4.2
149.02364	5.3
151.00392	48.6
161.02461	10.1
165.12842	7.9
175.04010	4.1
178.99896	19.3
209.11896	30.4
221.15498	9.1
223.13451	4.8
227.03571	6.2
239.16570	6.3
243.02960	10.3
245.04543	5.3
255.03030	17.7
271.02478	34.6
278.74268	4.2
283.15585	100.0
295.02451	6.4
297.04010	5.8
300.02789	21.7
301.03592	94.2
313.03650	5.7
323.02029	9.5
341.03070	8.7
385.12988	6.0
445.07736	69.1
445.20654	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	445.3538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17640	0.5
53.30784	0.7
58.27089	0.6
59.01385	100.0
59.11811	0.5
96.55016	0.7
106.13562	0.6
120.12331	0.6
129.67796	0.7
136.66942	0.6
206.15347	0.7
330.14606	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3692
Annotation	13'-hydroxy-alpha-tocopherol
Peak:m/z	Relative Intensity
51.54549	0.2
64.68702	0.3
73.15465	0.3
81.45065	0.2
97.59267	0.3
135.08179	4.5
137.06114	0.3
163.07661	100.0
164.08060	0.4
168.13402	0.3
170.56792	0.3
176.08400	0.6
177.92366	0.3
278.91275	0.3
312.07727	0.3
430.34570	1.5
438.59525	0.3
445.36948	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	445.3694
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30585	0.7
54.83418	1.0
55.18260	0.7
55.48033	0.7
63.77141	0.8
66.17494	0.7
70.14297	0.7
70.54859	0.8
88.58743	0.7
109.67989	1.0
135.08142	5.1
140.22462	0.9
142.62534	0.9
163.07652	100.0
164.08102	1.4
250.31932	0.8
445.36935	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	445.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62148	1.1
55.59299	1.2
59.01383	100.0
67.15933	1.2
71.01393	11.4
83.05055	3.2
89.02444	22.8
92.10736	1.8
101.02415	5.7
113.02462	6.8
119.03506	7.2
136.46367	1.4
161.04602	1.7
179.05597	15.1
184.35648	1.5
192.06441	1.3
204.37863	1.5
380.92859	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	445.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	5.6
59.01385	100.0
71.01379	17.8
73.02940	5.4
81.03435	0.7
83.01403	2.6
85.02960	10.0
86.69981	0.6
87.00871	1.1
89.02441	4.5
90.89903	0.6
99.00880	0.7
101.02437	11.5
109.03011	1.1
113.02470	8.9
113.06080	2.7
119.03525	0.9
123.04484	0.8
125.02462	4.3
129.51044	0.6
133.78102	0.6
137.09715	1.4
139.04118	0.7
143.03540	1.2
153.09215	2.3
156.64316	0.6
159.02988	1.3
161.04553	14.4
165.09192	2.7
168.00645	0.9
168.77753	0.7
187.11256	1.4
205.12357	3.9
223.13414	14.2
236.97450	0.6
289.07202	1.0
347.81552	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15372	0.4
57.03468	0.8
59.01383	100.0
59.53366	0.5
61.98838	3.4
63.30882	0.4
67.41058	0.4
69.03431	0.4
71.01375	11.1
72.99329	0.5
73.02936	1.1
75.01560	0.4
83.01391	1.2
85.02964	2.7
85.86826	0.4
87.00867	1.2
87.18481	0.5
87.78027	0.5
89.02436	10.1
95.01378	0.6
96.95997	3.8
101.02441	6.2
107.01403	0.9
108.04650	0.5
109.02991	0.5
113.02427	4.5
119.03498	5.7
121.02985	0.5
125.02438	3.3
133.11761	0.5
138.74481	0.5
143.03474	0.6
150.96622	0.5
151.00362	3.4
151.03897	0.6
151.88069	0.6
161.02492	4.2
161.04543	1.0
163.11285	0.7
169.01306	0.6
178.99863	2.1
179.05634	3.6
181.12434	0.8
187.11307	3.4
189.02002	5.6
204.11540	0.9
205.12364	3.5
233.11874	2.0
241.01433	2.0
241.08722	3.9
241.54414	0.5
271.02362	0.8
277.14404	2.2
283.06171	0.7
283.96371	0.6
295.02475	1.0
341.03110	12.7
365.37759	0.5
385.18781	3.9
390.93134	0.6
445.07904	2.4
445.20447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82497	0.8
57.18000	0.7
59.01385	15.7
61.98826	5.1
66.26917	0.8
69.45790	0.7
81.85543	0.9
92.10016	1.9
92.10640	7.4
93.03448	5.4
109.02953	2.2
121.02950	40.3
123.26997	1.0
133.02971	4.8
145.03012	2.0
148.01776	1.4
152.99548	0.9
161.02469	1.0
177.01956	2.0
189.01978	4.0
217.18425	0.9
225.05618	1.5
237.05635	3.7
253.05087	1.1
265.05029	4.5
267.03122	1.7
277.05127	1.0
279.02979	1.3
281.04568	20.3
282.05386	17.2
293.04608	62.5
293.21277	5.2
294.05341	5.0
295.06091	1.1
307.06146	2.1
309.07803	1.4
311.22244	7.6
321.04108	7.9
337.07199	3.9
351.09195	1.0
415.08408	1.9
445.13031	100.0
446.13480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1296
Annotation	Longicaudatin
Peak:m/z	Relative Intensity
51.08558	0.8
53.53852	0.8
59.01385	5.0
61.98832	2.5
69.88866	0.9
83.99007	0.8
93.03454	6.9
109.02946	1.7
112.36230	0.8
121.02962	36.2
123.04553	1.4
133.02928	4.0
145.02922	1.7
149.06059	1.2
168.04364	1.3
177.01869	1.6
189.01833	2.3
237.05620	2.4
240.07951	1.0
253.05199	1.4
265.05127	5.5
279.02905	1.2
281.04565	15.1
282.05362	14.3
292.03745	1.2
293.04568	53.0
294.05325	2.5
304.64182	1.3
305.04578	1.0
307.06039	2.3
309.07556	1.5
321.04050	7.9
337.07175	1.8
445.13007	100.0
454.10278	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63503	0.5
54.70171	0.5
54.84363	0.6
58.92298	0.5
59.01399	3.1
59.85928	0.6
61.98838	100.0
62.98562	0.8
63.99263	0.7
64.02455	0.6
74.30437	0.6
93.37197	0.7
96.31277	0.6
112.53397	0.7
241.01149	0.8
301.95822	0.7
326.23810	0.7
335.01929	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29646	1.0
57.52275	1.2
58.81743	1.2
59.01388	100.0
61.98839	7.4
65.76739	1.4
67.34821	1.2
78.95925	7.2
114.14922	1.5
122.57371	1.2
149.00102	11.4
183.35451	1.5
205.15996	11.7
289.19077	1.4
355.16870	26.8
385.17905	16.2
445.19937	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16179	1.7
52.74753	1.9
55.78119	2.3
59.01384	25.8
70.83427	2.0
71.01389	10.5
72.99314	15.1
74.25675	2.0
85.02954	100.0
85.03458	4.7
87.00889	10.9
89.02463	15.0
92.21061	2.4
94.22598	2.1
96.95999	23.3
96.96954	2.4
97.12766	2.1
101.02419	3.5
108.02175	57.8
109.02958	31.2
111.29925	2.2
115.00365	2.5
116.92885	2.9
119.03516	2.8
123.00880	2.4
129.01944	78.8
133.01427	4.6
134.03722	2.9
135.04521	56.3
148.89827	2.2
149.00931	51.7
152.01176	45.2
153.01958	41.4
163.03999	10.1
170.60034	2.2
179.03487	51.8
195.02980	5.5
198.29674	2.8
204.38995	2.2
281.39651	2.7
315.07272	83.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10468	0.9
54.45466	0.9
57.03458	1.4
59.01390	24.9
61.98811	3.4
65.00333	2.3
65.88208	1.1
71.01400	7.4
73.02960	1.4
76.10681	0.9
83.01398	1.9
84.25060	0.9
85.02973	1.8
86.72671	0.9
88.12411	1.0
89.02425	1.8
96.96013	1.4
99.00927	1.3
101.02458	6.1
107.01412	8.2
108.02242	1.7
108.17536	1.0
109.02945	7.4
113.02499	1.8
119.05019	1.6
121.02973	9.2
125.02460	4.6
129.92293	1.0
135.00859	1.6
137.02489	2.2
142.99750	1.1
143.04906	1.2
148.01686	2.5
149.02542	1.1
151.00381	29.1
151.04004	1.6
152.53189	1.1
163.00363	7.9
169.01418	2.2
178.99838	12.1
183.04500	1.4
187.03955	1.2
201.05553	1.9
211.04045	4.4
215.03539	1.2
226.02711	1.3
227.03560	6.6
229.04997	1.9
239.03214	1.1
243.02972	19.9
245.04448	4.0
254.02200	1.2
255.03020	35.5
263.14566	1.3
271.02518	90.7
283.02679	1.5
283.06119	1.1
299.01880	1.3
300.02814	95.2
301.03574	100.0
302.03745	1.3
313.16714	1.6
385.13095	1.1
445.07846	38.4
445.20532	9.0
463.47012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.7
59.01385	1.6
63.02403	4.0
65.00328	6.2
69.92573	0.5
71.47377	0.7
72.27912	0.5
74.26611	0.6
83.01396	5.9
85.02983	0.8
89.02444	0.9
107.01391	14.1
117.03467	0.7
123.88884	0.7
125.02441	12.2
131.08211	0.7
133.02957	2.9
135.04521	1.0
138.14221	0.7
141.39021	0.8
145.02956	4.5
147.04527	3.1
149.02472	0.9
151.00389	47.5
152.01135	3.0
153.01857	1.0
159.04567	0.8
161.02443	14.6
162.03218	3.0
163.00313	0.8
163.04015	6.1
169.01431	3.2
171.04666	0.7
173.02328	1.4
174.03226	0.8
175.03996	5.7
177.01971	0.6
178.99858	19.3
183.04585	0.9
185.02408	0.9
187.00383	2.6
187.03949	1.2
189.01988	4.6
190.02734	1.1
191.03506	4.7
192.00603	1.3
193.01460	1.0
201.01883	1.1
201.05841	0.7
203.03558	4.1
204.18507	0.7
211.04088	1.2
213.05576	1.1
214.99980	0.7
217.01480	0.9
221.04611	1.0
223.04167	1.0
225.05440	0.8
227.03596	3.6
229.01404	1.5
229.05109	1.2
231.02936	1.0
239.03488	1.4
241.05060	2.8
243.03018	1.1
245.04430	0.8
251.03479	1.5
253.05193	0.8
255.03072	2.9
257.04681	0.8
262.58670	0.9
267.03009	2.9
269.04578	3.7
271.02448	0.8
279.03082	2.9
283.02460	1.4
284.03409	0.8
285.04089	2.7
295.02539	15.3
296.03171	1.4
297.04047	13.2
298.01050	1.0
300.02905	1.5
301.03519	3.0
309.03824	0.8
311.02014	2.9
313.03571	9.9
323.02011	16.2
324.02704	1.0
327.01431	10.9
327.04868	1.0
341.03058	26.9
341.06641	0.9
353.03317	1.0
355.04630	2.8
371.34689	0.9
445.07840	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	445.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94647	0.3
53.99927	0.4
57.07555	0.3
59.01107	0.6
59.01386	11.9
60.73775	0.4
60.99311	19.7
61.98828	0.5
69.77789	0.4
71.01376	1.8
73.02955	0.6
87.00878	0.7
88.98806	100.0
89.02441	3.0
95.05029	0.5
96.96017	5.1
101.02438	1.6
108.02181	2.3
109.02959	2.2
113.02450	0.7
119.03432	0.5
123.04523	0.6
124.01694	0.5
125.02461	1.0
134.03783	0.5
149.02400	0.5
149.06012	0.5
151.03928	0.7
152.01135	2.6
153.01924	0.6
160.01689	0.7
161.04521	0.4
163.03928	0.6
163.11215	0.6
175.03987	1.0
177.05595	0.7
179.05505	0.7
181.31628	0.4
203.07179	3.6
221.04649	0.6
221.08244	1.5
237.05635	0.6
245.36700	0.5
265.07159	3.4
280.09729	0.5
283.05945	0.6
283.11905	0.8
302.20068	0.4
427.12589	3.4
445.13348	4.1
445.21991	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.0626
Annotation	Unknow
Peak:m/z	Relative Intensity
57.91774	0.5
59.01382	4.5
71.01399	3.3
72.77152	0.4
72.99317	4.9
83.14831	0.6
87.00883	14.0
89.04009	0.6
103.00401	2.6
104.20962	0.5
107.05057	0.7
115.00382	7.0
117.03461	0.9
125.28648	0.4
129.14931	0.5
130.99846	1.1
133.01437	9.8
134.03767	7.7
135.04530	100.0
149.00926	73.7
167.71065	0.5
167.76120	0.5
179.03511	100.0
180.03798	0.7
262.60666	0.5
309.21570	0.6
311.04044	7.4
429.06940	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.2659
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39528	2.0
59.01385	100.0
61.98840	3.8
65.98755	2.1
73.09225	2.7
76.53098	2.6
96.21377	2.6
97.73479	2.3
158.83917	2.6
291.19720	22.5
309.20850	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	443.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98656	0.5
56.51466	0.4
70.82931	0.4
98.39337	0.5
130.14291	0.5
143.38385	0.6
159.08499	4.9
161.06432	2.1
176.73409	0.6
217.07306	1.0
235.69566	0.5
277.07660	2.7
303.81500	0.6
345.13861	2.3
357.13754	3.0
359.15442	100.0
360.15762	2.0
377.16187	1.0
425.20337	0.7
427.21683	50.5
428.21802	0.8
443.24786	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	443.2139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45058	0.9
58.00602	1.9
59.01385	98.7
60.14546	1.2
60.53761	1.0
60.86858	1.0
65.06949	1.0
68.99586	1.9
71.01381	53.9
72.99327	4.9
73.02968	2.8
75.11592	1.1
78.95902	2.5
83.01388	1.2
85.02954	20.5
87.00893	2.7
87.04527	2.3
89.02442	70.0
93.54040	1.3
95.01414	2.6
96.96006	34.8
96.96953	3.7
101.02436	29.5
111.48222	1.2
112.98595	2.0
113.02464	23.3
119.03491	25.2
122.04882	1.2
123.04539	2.1
129.01938	5.8
129.14098	1.1
131.03543	2.0
133.03011	1.1
143.03542	2.7
149.06006	1.1
152.39073	1.0
155.84819	1.4
161.04539	6.1
167.98030	1.1
179.05653	22.9
221.13914	8.5
230.34558	1.3
251.11726	1.5
261.86957	1.1
282.88327	1.2
299.34122	1.2
383.19324	100.0
443.08255	1.4
452.73383	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26754	3.8
59.01396	17.4
61.98843	5.3
76.15791	3.3
100.09972	3.1
105.90816	3.8
115.20261	4.0
121.02910	4.1
186.83260	3.5
199.04091	6.0
230.84782	3.5
231.83893	3.3
239.07082	3.8
242.53204	3.6
244.95883	4.8
251.07156	8.0
262.06342	99.6
263.07202	31.1
264.07849	3.9
265.05130	5.8
277.08636	47.4
278.05682	5.4
279.06693	28.9
289.04965	7.1
290.06006	27.8
294.05319	7.5
304.04224	4.4
305.08365	41.8
306.05463	16.5
307.06155	100.0
321.07718	45.0
322.08478	22.4
337.10873	78.1
443.15097	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55371	5.1
53.43353	4.9
59.01387	66.6
64.35068	6.5
66.48401	5.8
71.01394	9.9
77.17849	6.2
87.00896	12.9
89.02509	7.0
96.96033	38.7
101.02427	8.3
109.02970	33.5
124.43594	6.3
125.02451	12.2
134.03757	100.0
135.04509	10.8
136.01584	23.7
149.00925	9.9
151.04059	6.2
151.84843	6.7
176.04753	10.8
187.07791	12.4
205.08748	13.1
231.10341	30.8
267.12616	8.3
285.11652	6.5
311.11340	42.7
348.58029	6.6
443.16577	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	443.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01898	1.2
57.03461	8.8
59.01390	16.1
65.03979	1.8
65.78300	0.8
71.01401	6.4
72.99345	1.0
75.00885	1.7
75.37245	0.8
82.95428	2.1
83.01393	1.3
83.05032	10.0
85.02956	6.3
87.00875	14.8
88.98810	5.3
93.03442	1.2
94.24187	1.1
95.05033	1.8
96.96010	5.8
97.06570	1.8
101.02429	1.6
101.06042	0.9
107.05054	5.5
109.02971	3.1
109.06604	1.0
111.04530	3.4
111.08160	1.8
113.02466	4.4
119.08617	1.2
121.06588	5.9
123.08173	17.8
125.06082	6.7
135.04515	3.4
135.08141	1.1
137.09738	1.8
139.07657	4.1
145.10257	3.2
149.00943	5.0
151.07683	3.1
153.05592	1.8
153.09155	1.4
156.21289	0.8
165.09355	0.9
169.08810	0.9
169.10194	1.7
171.11835	22.0
175.04037	1.3
176.04778	1.7
177.09187	3.2
187.07671	2.0
189.12885	9.7
191.05615	4.9
201.12912	8.0
205.08771	1.8
207.13922	3.8
219.13919	5.0
231.10287	1.8
233.08331	1.6
237.14998	23.2
245.04863	0.8
249.11377	3.5
261.15094	1.2
281.13989	100.0
282.14288	1.3
295.15555	1.1
305.13962	9.5
311.11487	1.7
323.15027	7.3
388.87820	0.9
443.11688	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.2504
Annotation	Unknow
Peak:m/z	Relative Intensity
57.90197	1.1
59.01388	100.0
59.79854	1.0
61.98841	1.5
71.01401	5.1
84.71391	1.3
89.02425	1.4
95.78981	1.3
108.58053	1.3
124.40965	1.1
147.00044	1.3
155.12433	1.1
217.00258	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	443.1276
Annotation	Unknow
Peak:m/z	Relative Intensity
55.84501	10.5
59.01397	100.0
59.66308	15.0
61.98843	23.1
76.74930	12.3
83.11674	12.8
89.02477	17.8
111.09765	12.9
114.36634	14.6
116.92847	16.5
121.36360	15.1
249.11302	17.5
309.20688	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	441.1902
Annotation	Exiguaflavanone M
Peak:m/z	Relative Intensity
53.38504	18.5
59.01393	51.5
71.01408	28.0
96.96062	21.1
119.05059	29.7
125.02373	23.0
140.81458	19.7
270.25024	24.7
441.18948	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.64048	13.3
61.98796	15.3
64.34547	12.9
71.08868	14.0
84.03088	13.8
92.10656	18.9
96.96033	25.3
105.57102	15.1
117.97298	14.1
129.83105	14.4
143.87074	17.0
267.62143	14.6
288.22366	16.0
441.18997	100.0
452.44211	22.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84794	4.6
57.03460	8.3
58.07643	4.6
59.01389	86.9
68.74493	4.0
71.01398	32.5
72.99330	9.3
73.02967	19.2
85.02977	9.7
87.00906	28.4
89.02450	19.1
90.29968	5.0
92.10732	6.9
96.96021	28.0
101.02449	37.7
103.00398	31.2
109.02977	7.7
115.00403	5.6
119.03554	5.2
119.05047	45.2
125.02402	11.4
132.12262	4.5
133.01445	7.7
133.06630	4.6
137.02446	5.0
140.47868	5.2
145.01389	18.6
146.03757	26.6
149.00945	47.0
152.92938	4.5
159.04625	4.9
161.21768	4.9
163.02498	100.0
163.04019	53.4
175.07666	23.2
177.02036	4.9
189.05595	5.5
219.06729	5.5
247.09853	6.9
265.10855	9.0
272.42133	5.2
305.97757	4.5
339.10107	4.6
349.35208	4.8
369.08261	5.5
381.21591	8.6
403.16174	36.6
405.17471	9.0
441.14520	7.4
441.19284	74.2
457.42401	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	441.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51086	2.6
55.01878	2.9
59.01391	51.1
61.98842	7.3
64.34504	2.8
71.01390	23.2
72.99323	5.0
73.02937	5.5
79.67415	2.6
85.02963	3.4
87.00874	19.4
88.98817	6.4
89.02463	14.3
95.05084	2.5
96.96001	78.3
101.02419	12.5
103.00406	3.5
105.23643	2.8
109.02973	39.7
111.32143	2.9
113.02497	3.4
114.05598	2.9
115.00326	2.9
119.05029	6.3
123.04484	3.9
125.02466	4.7
137.02463	3.3
138.03209	6.0
146.03741	12.6
149.00948	28.0
149.06029	3.3
159.04514	12.7
159.71449	2.9
162.38283	2.8
163.02493	4.1
163.03922	3.1
174.03206	15.4
175.04007	2.9
175.07611	22.8
176.04781	4.1
177.01938	4.9
177.09244	3.5
185.06113	5.9
187.07623	11.6
188.04947	3.7
189.76837	3.0
191.07074	3.4
194.02336	4.2
200.04794	3.7
202.06483	3.6
203.07169	25.4
219.06680	11.2
219.10196	4.2
229.08672	13.8
231.10336	3.4
232.07260	4.1
235.09872	3.8
247.09828	3.1
261.11420	6.0
265.10828	5.2
279.12402	5.1
291.09067	4.0
309.09760	6.3
381.17862	4.5
441.18765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.19
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86908	5.5
55.21134	6.0
57.03457	9.2
59.01394	53.2
61.98849	11.5
63.84821	7.9
64.75710	6.8
71.01396	31.4
73.02975	11.3
75.00874	77.2
87.00870	51.4
89.02476	9.5
96.96021	14.5
101.02454	28.1
103.00395	30.3
109.02976	7.9
115.00401	35.0
119.05053	28.3
122.13638	7.0
131.61934	7.8
133.01440	16.2
135.04543	7.9
137.02483	28.0
138.03325	9.1
146.03720	17.7
147.08168	13.4
149.00934	100.0
159.04590	10.1
163.02502	54.1
163.03979	10.6
172.05333	8.6
174.03249	30.6
175.04027	7.8
175.07707	28.9
179.92978	7.7
185.06062	7.0
186.06812	8.7
187.07730	26.1
188.04842	16.5
189.05545	10.2
191.07126	18.5
201.09283	11.8
203.07137	98.4
205.08603	11.6
217.28195	8.3
219.06775	14.3
219.10277	41.1
229.08765	16.2
247.09821	35.8
257.56311	7.3
265.10861	16.0
291.08636	9.2
441.13644	9.8
441.19116	85.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1774
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01880	1.5
55.87196	0.8
56.41964	0.7
57.03450	11.7
59.01384	19.5
64.83239	0.8
67.62376	0.9
69.03449	1.1
71.01379	8.5
73.02959	2.0
73.83974	0.9
79.05541	1.0
79.87341	0.8
83.01395	1.8
83.05041	2.1
85.02949	6.3
87.00871	1.2
89.02489	1.2
90.46114	0.8
92.34699	0.9
93.07108	1.1
95.01367	1.5
95.05011	4.4
96.96017	1.3
97.02921	8.8
97.06580	3.6
101.02434	10.5
105.07147	1.1
107.05020	4.4
109.02956	9.4
109.06585	8.9
110.31248	0.9
111.04539	7.3
113.02493	6.5
119.08631	2.0
121.06591	5.5
122.03739	13.4
123.04510	6.0
124.05298	21.3
125.02473	3.9
125.06093	6.6
133.10262	1.1
135.04500	4.6
137.06082	11.1
139.07658	100.0
145.10188	1.3
147.08130	3.8
149.00945	1.7
149.06081	1.9
151.04036	1.6
161.04555	1.3
161.09682	1.3
163.07584	1.6
163.11290	2.1
168.07925	23.3
169.08688	5.3
171.08174	2.3
175.04080	1.0
175.07634	1.8
175.11244	2.2
177.12901	1.3
185.06047	1.0
185.09697	1.3
186.06909	1.2
187.07581	1.2
187.11302	24.5
189.05571	1.4
189.09216	1.8
190.09967	6.2
203.07150	1.1
205.12363	32.4
229.08775	1.2
229.12244	3.6
231.10228	4.7
235.13417	6.3
237.65666	0.9
249.11320	5.1
249.13568	6.6
261.11475	1.5
273.11475	4.2
279.12424	67.9
280.58765	0.9
286.67914	1.0
303.12375	8.1
321.13431	3.7
381.17667	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	441.1177
Annotation	Unknow
Peak:m/z	Relative Intensity
58.05544	1.1
59.01387	9.2
59.22655	1.0
71.01395	8.6
73.02940	3.1
82.83203	1.3
85.02971	1.6
87.00897	2.3
89.02460	1.5
90.06709	1.4
96.96008	5.5
101.02451	3.2
101.10970	1.5
103.00369	1.8
113.02464	1.6
115.00384	5.0
119.05031	100.0
123.04596	1.5
125.02471	2.8
146.03831	1.7
147.04575	1.5
149.00972	5.5
163.02538	10.4
163.04010	73.6
189.90253	1.6
209.87053	1.5
219.10254	1.5
272.74603	1.4
325.09314	9.0
360.24728	1.4
376.61942	1.5
441.11197	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	441.1403
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.3
59.01385	77.7
65.14942	0.9
70.99445	0.9
71.01392	8.3
72.99324	1.4
83.00972	1.0
83.01382	8.4
85.02961	1.4
85.38289	1.1
87.00881	1.3
89.02443	2.5
93.03447	14.7
95.01398	6.4
96.96007	6.2
101.02441	4.3
113.02493	1.2
116.92876	1.2
119.03560	1.4
119.05016	22.6
123.04494	1.8
125.02442	6.3
126.86562	1.0
127.02041	1.5
130.04247	6.0
145.06558	7.7
146.03725	5.0
147.04556	1.6
149.00894	1.8
149.06067	1.6
150.11020	1.0
152.36223	0.9
157.94882	1.1
159.04520	5.1
163.02621	2.0
163.04016	16.7
167.03409	1.2
173.81129	1.3
175.03979	3.8
175.07715	3.8
183.31566	1.0
189.05583	100.0
201.03484	0.9
207.13675	1.1
219.03137	2.3
219.06645	76.2
243.12395	1.9
247.09900	1.1
271.13828	1.0
278.86411	1.1
280.32889	1.0
359.13467	1.1
381.17392	1.5
405.17712	12.0
409.06046	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0833
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83109	0.7
56.70788	0.7
57.03467	4.6
59.01392	5.6
62.61892	0.7
71.01395	1.2
71.67899	0.6
77.82382	0.7
81.03471	4.3
83.01411	4.7
86.80125	0.7
87.00864	1.1
93.03461	3.2
95.01394	1.2
95.05040	6.0
97.02959	12.3
99.04516	0.7
101.13230	0.7
108.02204	4.0
109.02965	45.3
115.00380	1.1
121.02956	6.2
122.03756	5.6
123.00916	1.5
123.04527	30.1
125.02449	39.2
133.01436	3.4
134.03760	1.4
135.04562	1.5
137.02454	35.0
138.03230	7.4
139.04021	9.0
145.02957	3.4
146.03767	1.5
147.04552	1.2
149.01392	0.7
149.02415	6.2
150.03261	3.4
151.00311	1.1
151.04021	21.5
157.06607	1.4
158.31473	0.7
159.04510	6.8
160.05284	3.1
161.02449	3.6
161.06093	9.3
162.03200	1.2
164.01103	6.5
165.01958	7.5
167.03505	3.1
169.01483	6.9
169.02754	0.8
173.06105	1.7
175.04012	4.4
175.07675	3.6
177.05676	1.1
179.03517	11.7
185.06110	2.8
187.04021	8.6
187.07701	1.0
188.04807	7.2
191.10835	1.6
199.07669	1.6
201.05614	0.9
202.06384	3.8
203.07141	23.5
205.05080	14.5
212.04814	1.0
221.08244	6.0
227.07179	4.4
230.05809	1.3
235.09773	1.6
245.08223	27.3
247.06036	1.6
271.06155	1.3
285.04065	1.2
289.07230	100.0
290.07559	1.1
303.05215	3.3
398.32895	0.8
441.08359	16.7
441.17868	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0967
Annotation	Unknow
Peak:m/z	Relative Intensity
57.27495	12.0
59.01389	100.0
61.98845	11.2
75.54697	10.9
81.22025	11.0
92.10844	24.8
107.01428	12.1
125.02515	42.3
149.51846	12.2
163.02579	21.4
163.03970	18.8
169.01469	18.5
242.05774	20.5
243.06752	22.6
243.53104	14.3
376.45230	12.3
405.11740	17.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2347
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39549	1.6
52.11179	1.3
54.63838	1.6
57.03453	3.4
59.01387	100.0
61.98843	3.3
63.87079	1.7
71.01395	11.6
73.02958	9.0
83.01386	3.0
85.02962	6.4
86.00137	1.5
87.00903	1.8
89.02464	8.0
101.02448	10.4
113.02451	3.9
135.04509	1.8
145.01518	2.1
149.00966	3.8
163.02498	2.1
265.51175	1.7
436.35806	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	439.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86404	0.5
53.02263	0.5
59.12473	0.5
77.33987	0.6
86.75558	0.6
95.70009	0.6
145.10570	100.0
149.06055	0.7
164.03012	3.9
165.03804	1.0
196.01970	2.9
222.74471	0.8
237.91066	0.6
245.86227	0.7
277.16379	1.0
278.17200	0.8
295.17395	1.2
310.16202	5.4
439.26981	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83292	1.1
57.03467	2.1
60.00296	1.0
77.24326	1.1
81.03467	2.8
83.01407	1.9
85.98400	1.1
95.01398	1.1
95.05056	1.4
97.02972	6.1
107.01426	4.8
109.02955	15.8
111.05960	1.3
115.92215	1.2
123.00884	1.6
123.04562	8.2
125.02454	99.6
137.02484	8.3
139.04080	1.9
140.01222	1.6
144.30679	1.2
145.02901	1.9
149.02454	2.1
151.04010	7.4
159.04640	1.3
161.06015	2.2
162.03113	1.6
165.01952	1.9
169.01451	100.0
174.02724	1.2
179.03535	1.8
187.03978	2.7
188.04868	1.5
193.01494	5.1
203.07219	6.9
205.05046	2.8
221.08369	1.8
227.07077	1.3
235.83719	1.5
245.08237	7.1
289.07220	37.0
303.04886	1.6
308.62643	1.5
323.92447	1.7
441.08524	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	439.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71941	0.4
59.01394	8.6
72.99310	14.3
75.00855	1.0
85.02945	0.5
87.00876	33.0
88.63023	0.4
91.71987	0.5
97.03013	0.6
101.02438	0.8
103.00355	6.8
105.01933	2.5
108.72423	0.5
109.02940	0.7
125.02469	1.0
130.99878	0.9
145.91951	0.5
147.62076	0.5
149.00925	100.0
158.03760	0.5
159.04523	1.0
169.01447	0.5
172.05307	2.2
173.06085	3.6
174.06755	0.6
187.04057	2.2
187.07671	20.2
201.05620	2.7
202.06393	7.7
203.10710	0.9
213.09293	3.7
215.07156	1.8
216.07864	1.0
231.10211	5.7
245.11700	0.9
248.10448	0.6
263.12891	8.8
275.09283	4.0
301.66000	0.5
307.11893	19.3
439.12292	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03454	2.1
59.01384	92.3
62.92230	1.1
64.34613	1.1
68.99838	5.2
71.01395	1.8
72.99319	1.3
76.46762	1.2
82.00608	1.7
83.01389	10.1
83.04987	1.0
92.85404	1.1
101.02408	2.4
107.01327	1.1
111.00901	1.7
119.05025	6.0
125.02482	5.1
125.99564	10.1
127.00391	11.9
134.03822	1.7
137.02429	1.3
139.82510	1.2
147.04524	7.2
149.00887	3.9
150.99242	1.4
186.34489	1.2
189.01845	1.5
203.12442	1.1
204.44273	1.1
217.05090	100.0
252.83920	1.2
271.04593	1.8
446.12900	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	439.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97439	1.8
55.53842	2.1
57.03453	18.0
59.01382	31.1
61.98832	3.0
68.64601	2.2
69.40244	2.3
71.01395	3.6
73.82550	2.1
79.05537	3.1
83.01376	4.2
85.02968	2.5
87.00885	5.0
87.03635	2.5
100.56594	2.2
101.02449	4.0
109.02984	5.9
123.04497	26.4
125.02441	100.0
131.58965	2.3
133.02992	4.6
134.03807	2.9
137.02464	26.1
137.33900	2.5
145.02986	21.1
146.03722	4.1
149.00914	10.6
149.02443	6.3
151.04088	2.8
159.04524	15.4
161.06075	12.2
163.02544	3.6
163.04070	2.4
167.03522	20.3
175.04044	3.3
185.06073	5.6
187.04015	4.9
188.04930	2.9
191.03383	3.8
203.07153	20.0
205.05092	10.4
209.06252	4.6
227.07141	3.7
229.04985	3.0
231.10388	3.7
245.08141	3.0
245.93411	2.7
253.04980	5.8
271.06140	35.8
289.07184	29.3
362.92770	2.8
379.23428	5.6
439.10284	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	438.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01369	0.8
63.61604	0.4
71.01382	0.5
71.05043	0.9
72.00909	27.2
72.99309	8.3
78.95895	0.8
86.02490	0.5
87.00884	2.5
92.10201	0.9
94.02991	0.7
96.96018	7.3
96.96981	2.1
98.02477	2.1
100.04060	2.2
102.01971	1.0
111.00900	0.7
114.01975	8.4
116.03545	2.1
130.08734	7.2
133.05057	0.7
142.01442	0.8
142.05107	0.8
144.06691	4.3
160.02530	100.0
179.46576	0.5
186.70720	0.6
232.08284	46.2
367.29169	0.5
396.16653	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
56.25462	0.2
57.58410	0.2
63.97266	0.2
78.95902	24.8
79.95757	1.7
96.96027	100.0
96.96973	46.9
115.00356	0.4
116.92872	0.6
123.12244	0.2
133.01398	0.3
134.36296	0.3
140.47112	0.2
149.25043	0.3
166.40837	0.3
200.30426	0.3
202.95107	0.3
249.25555	0.3
285.70679	0.3
439.08261	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09944	0.2
55.39779	0.2
65.12238	0.3
78.95901	54.1
81.04848	0.2
92.10721	0.3
96.96062	5.5
96.96954	100.0
97.08206	0.3
111.00896	0.2
122.43240	0.3
125.05202	0.2
125.11374	0.3
197.81502	0.3
246.04291	0.3
439.08759	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.9581
Annotation	Unknow
Peak:m/z	Relative Intensity
56.27055	1.3
57.03448	1.7
58.64775	1.2
64.05235	1.4
68.18137	1.4
71.01402	2.3
85.02972	3.1
87.00882	2.2
87.92537	58.4
92.65843	1.7
96.96009	61.6
99.00867	1.8
103.92035	100.0
104.46276	1.5
104.92805	47.5
105.93601	16.5
106.94375	6.3
111.00910	10.5
117.49104	1.8
123.73714	1.6
123.94646	29.8
127.95624	2.2
128.99898	1.6
130.94432	2.5
144.95950	38.9
145.96745	43.6
147.94670	2.6
155.36833	1.6
155.95169	1.9
156.95967	31.6
161.96242	34.6
163.97781	6.5
173.96239	10.4
185.99852	12.1
189.95752	7.8
199.94193	28.5
200.94945	31.1
213.99304	7.0
217.95250	9.1
239.97110	2.1
257.98361	67.9
261.94168	29.6
262.05948	1.9
283.96268	30.8
285.97638	2.8
301.97318	11.0
331.94714	6.4
337.07870	6.8
338.08136	21.0
417.94806	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	436.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01416	1.4
61.98835	100.0
69.24158	1.2
73.97960	1.1
80.40385	1.3
116.36102	1.3
127.73577	1.2
136.90314	1.1
154.49638	1.2
154.66916	1.1
163.29584	1.4
176.13504	1.4
245.19818	1.1
273.46576	1.3
444.11142	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2195
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89294	0.6
53.32028	0.5
59.01097	1.0
59.01383	14.3
60.01721	1.0
61.01820	0.8
61.98837	100.0
67.32609	0.5
71.01382	1.2
85.02957	1.0
87.00898	0.8
92.10155	1.2
96.96020	0.7
125.02432	1.2
137.02448	2.2
149.00964	1.1
164.14343	0.6
167.03526	0.8
245.17656	0.7
255.82367	0.6
289.98868	0.7
304.22324	0.6
316.08978	0.9
349.42880	0.7
376.27994	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	437.1247
Annotation	Thonningin C
Peak:m/z	Relative Intensity
51.86407	1.1
55.91667	1.2
59.01384	5.0
60.39883	1.1
61.98830	1.4
63.17383	1.1
64.34911	1.3
75.42635	1.1
77.73090	1.0
77.73677	1.0
81.93011	1.1
85.02964	1.4
87.00879	1.4
88.36649	1.0
92.10137	1.4
102.91452	1.2
108.02198	2.9
109.02958	2.3
126.89513	1.4
129.01888	1.5
133.02975	5.1
134.03738	96.5
135.04550	11.1
136.01653	2.2
137.02451	2.8
139.03999	1.8
146.03738	1.5
149.02477	2.2
149.06076	35.0
151.04016	2.4
159.04456	1.4
162.03259	7.8
163.03989	1.6
167.04701	1.3
171.04527	2.6
177.01936	2.7
177.05504	1.7
183.21317	1.2
185.06015	1.6
187.03885	4.5
188.04692	1.5
190.02847	1.6
199.04056	2.8
201.01910	1.3
201.05589	2.0
213.11081	1.4
215.03587	10.7
216.04297	50.5
217.04724	1.2
224.04871	1.3
227.03546	21.9
228.04343	7.9
229.05103	10.3
230.05867	4.9
231.06583	8.9
232.03745	5.0
239.07188	4.6
241.05087	1.8
242.02271	2.0
242.05820	5.1
243.03049	10.4
244.03784	15.3
247.06204	5.3
255.03024	17.5
256.03900	2.1
257.04593	11.9
258.05447	5.8
259.06122	72.3
260.06622	1.6
269.04657	1.9
271.02588	1.8
272.03299	4.6
273.07712	21.7
275.05698	2.9
285.04059	3.0
286.78146	1.3
287.05646	26.9
301.07190	9.1
317.08264	1.5
340.08014	1.5
409.12930	13.2
419.11008	1.6
437.12503	100.0
438.12579	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	437.1458
Annotation	sec-o-Glucosylhamaudol
Peak:m/z	Relative Intensity
53.93025	0.8
55.15293	0.8
55.64437	1.0
58.62397	0.8
59.01385	10.4
61.98838	1.6
71.01397	3.7
72.95562	0.9
75.00864	1.0
87.00920	1.4
87.44878	0.9
89.02513	1.0
95.01358	1.2
95.05037	2.0
96.96002	11.4
97.02982	4.1
107.05035	9.2
109.06631	5.0
113.06094	1.5
116.92871	1.6
121.02925	1.3
123.04530	100.0
125.02464	1.4
137.02454	4.0
138.15312	1.1
143.84267	1.0
151.04028	86.4
153.05594	14.7
157.04893	1.1
158.73169	1.0
203.07129	1.0
205.58200	0.9
274.79593	1.0
275.09274	71.8
286.51541	1.1
319.54971	1.1
349.89398	1.0
377.14423	1.2
434.74667	1.2
437.14590	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	435.1875
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82595	0.8
55.01900	1.1
57.03469	1.8
59.01385	100.0
60.81504	0.8
61.46326	0.9
61.98850	1.1
69.03474	1.2
71.01389	25.8
72.99306	4.3
73.02956	6.8
75.00861	1.0
81.44270	1.0
83.01394	4.6
85.02959	11.8
87.00892	2.3
88.98795	1.6
89.02451	22.4
93.79559	1.0
95.01387	1.7
96.96001	1.0
101.02438	17.9
101.06085	1.1
109.02972	1.1
109.17196	0.9
113.02461	11.7
113.99599	1.2
119.03503	10.3
121.02946	1.6
125.02435	1.3
135.04535	1.5
161.04550	5.7
165.01959	1.6
167.03494	7.0
179.05603	4.3
187.13461	3.8
213.11320	7.7
229.05229	1.5
229.08673	1.4
229.19647	1.4
273.07660	5.3
273.20712	1.8
277.05548	1.1
331.17484	1.2
349.18799	10.4
357.15356	1.3
375.20670	1.3
377.49432	1.0
391.19742	1.4
435.18790	4.9
435.26144	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	435.2159
Annotation	Lespedezaflavanone G
Peak:m/z	Relative Intensity
56.37782	7.2
59.01388	100.0
61.98848	15.7
65.07602	7.8
68.92442	7.6
71.01393	7.9
85.02994	11.5
92.10125	10.4
101.02438	9.2
102.64289	8.9
164.58116	7.7
165.92706	8.6
168.02998	8.7
208.52509	9.0
257.04623	10.8
272.48303	10.4
273.20383	9.3
293.26651	11.0
435.21292	30.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.09038	0.3
59.01387	100.0
71.01394	1.6
74.60746	0.3
85.02940	0.4
89.02441	2.3
96.95963	0.5
101.02466	0.5
118.51556	0.3
125.02453	0.4
128.58018	0.4
135.04578	0.6
149.04512	0.5
171.45573	0.4
176.51195	0.4
202.04417	0.4
255.08876	0.5
435.22440	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2241
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83000	0.3
57.03456	0.4
59.01390	100.0
60.24582	0.4
60.55231	0.4
61.98839	0.5
62.47779	0.4
63.56996	0.4
71.01382	2.3
79.95799	0.4
79.96925	0.4
85.02972	0.6
89.02448	2.2
96.96023	2.6
101.02457	0.5
116.92849	0.6
195.05441	0.5
256.82846	0.4
308.12405	0.5
373.80814	0.5
375.16620	0.5
393.12405	0.4
435.22342	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01904	1.7
57.03470	1.8
58.00610	3.8
59.01390	100.0
61.31283	0.9
62.79599	0.9
71.01386	48.7
71.01772	1.8
71.14564	0.9
72.66123	1.1
72.99329	3.8
73.02955	2.4
74.39777	0.9
74.99085	1.5
78.95931	6.5
82.48499	1.0
83.01384	2.2
85.02959	12.4
87.00881	8.2
89.02443	61.4
95.01416	6.1
96.96008	25.3
96.96979	4.3
98.95652	1.3
99.00880	1.5
99.75368	1.2
101.02437	24.0
108.02213	2.4
111.00865	1.3
113.02454	19.4
117.01967	2.1
117.03453	11.8
119.03500	21.0
119.05054	4.5
121.02973	1.7
122.03738	1.4
123.04495	3.7
131.03505	1.8
133.02986	5.0
134.21397	1.1
135.04559	6.6
137.02467	1.4
139.00346	1.1
143.03522	6.0
145.02969	47.9
146.03784	13.2
147.04510	14.3
149.02489	1.2
149.04602	1.2
150.03296	2.2
161.02452	51.4
161.04442	7.3
162.03226	69.7
163.04002	4.6
165.05627	4.4
177.05571	24.7
179.05615	22.1
180.04295	13.8
195.06641	21.6
304.11768	1.1
357.12036	22.3
362.68576	1.1
375.12982	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1879
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28390	1.1
57.03468	1.4
58.00615	1.7
59.01389	100.0
61.98838	2.6
71.01399	27.2
72.99305	1.7
73.02956	11.4
83.01401	4.9
85.02979	7.9
87.00916	1.8
89.02475	18.7
95.01405	1.8
95.34982	1.4
97.02965	2.3
101.02451	19.1
109.02963	1.5
113.02450	12.3
119.03519	7.8
123.00896	1.9
124.01695	3.0
124.99338	1.5
125.02456	20.9
135.04538	11.7
137.02443	17.9
138.58090	1.7
149.99622	9.1
151.04091	2.7
155.45110	1.3
161.04536	2.4
168.00694	12.5
186.49214	1.3
187.13409	6.5
213.11378	3.2
273.07693	2.7
314.49503	1.7
331.17682	16.0
349.18738	27.3
391.19943	12.1
436.08783	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	435.13
Annotation	Trilobatin
Peak:m/z	Relative Intensity
54.72437	0.4
57.03464	2.4
59.01393	6.4
62.43610	0.5
65.00321	1.3
71.01412	0.5
78.60053	0.6
81.03461	18.8
81.03920	0.7
83.01388	9.1
87.84778	0.5
92.11959	0.5
93.03461	10.8
95.05026	1.0
107.01419	3.0
119.05022	15.5
121.02971	1.1
123.00914	1.0
123.04533	48.1
124.01666	5.5
125.02451	29.0
128.78406	0.6
135.04555	2.3
147.04503	0.6
149.02470	2.7
149.99580	7.2
151.00406	4.6
160.87105	0.5
165.05592	0.8
166.02795	0.6
167.03510	100.0
168.00668	11.2
168.03810	0.6
174.65810	0.6
179.03529	12.5
189.05579	4.4
191.03560	0.8
229.04131	0.7
229.08716	0.8
235.70258	0.6
255.06694	0.8
273.07733	98.4
274.07947	1.0
286.04144	1.0
287.04672	0.8
288.04715	2.1
289.05228	0.8
435.09018	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	435.13
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72437	0.4
57.03464	2.4
59.01393	6.4
62.43610	0.5
65.00321	1.3
71.01412	0.5
78.60053	0.6
81.03461	18.8
81.03920	0.7
83.01388	9.1
87.84778	0.5
92.11959	0.5
93.03461	10.8
95.05026	1.0
107.01419	3.0
119.05022	15.5
121.02971	1.1
123.00914	1.0
123.04533	48.1
124.01666	5.5
125.02451	29.0
128.78406	0.6
135.04555	2.3
147.04503	0.6
149.02470	2.7
149.99580	7.2
151.00406	4.6
160.87105	0.5
165.05592	0.8
166.02795	0.6
167.03510	100.0
168.00668	11.2
168.03810	0.6
174.65810	0.6
179.03529	12.5
189.05579	4.4
191.03560	0.8
229.04131	0.7
229.08716	0.8
235.70258	0.6
255.06694	0.8
273.07733	98.4
274.07947	1.0
286.04144	1.0
287.04672	0.8
288.04715	2.1
289.05228	0.8
435.09018	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	435.1092
Annotation	Epigallocatechin 3-O-cinnamate
Peak:m/z	Relative Intensity
54.89450	1.9
55.78643	2.1
57.03466	12.7
58.00697	1.9
59.01380	29.7
61.98839	2.4
67.16359	1.9
71.01391	2.2
72.17885	2.2
72.97335	2.2
77.12667	2.5
78.54446	2.2
81.03484	2.4
83.01419	5.7
93.03471	20.4
95.05052	3.9
97.02977	10.3
108.02195	3.5
109.02956	64.9
117.03467	39.1
119.05029	46.3
119.93885	2.2
121.02960	8.6
123.04533	42.0
125.02441	51.8
133.02953	11.0
137.02438	26.3
139.04056	10.1
145.02966	99.9
147.04549	11.9
149.02455	12.1
151.04016	21.0
154.88048	2.6
159.04512	5.7
161.02499	3.8
161.06061	9.2
162.03201	2.7
163.04024	21.1
165.01961	20.3
175.04033	3.3
177.01939	42.1
178.02660	2.2
179.03551	10.7
185.06027	2.6
187.04022	9.5
189.01945	80.1
189.03590	3.6
190.02701	17.2
191.03514	22.8
198.47353	2.5
201.05725	2.5
203.03555	13.3
203.07162	15.7
205.05060	4.9
213.15170	3.2
216.00691	12.1
217.01462	45.5
219.03052	18.2
221.08316	2.6
224.07013	2.2
227.07153	4.2
229.04877	3.6
231.03058	15.6
241.05086	2.8
245.08199	20.7
251.07213	2.2
269.08350	4.2
271.06192	9.3
273.20798	4.8
289.07239	97.1
311.05698	3.6
312.03473	2.6
341.06723	100.0
435.10904	31.5
435.26196	9.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45737	0.9
54.58350	0.9
59.01387	9.2
62.68980	0.9
69.03485	1.1
72.83620	1.1
74.99706	0.8
92.10081	2.1
93.03469	17.3
95.05034	4.5
97.02914	1.1
108.02220	1.3
109.02966	32.1
117.03497	6.1
119.05033	2.5
121.02975	4.5
123.00870	4.2
123.04548	27.0
124.01682	7.1
125.02448	20.2
132.84723	1.0
133.02968	6.4
134.03676	1.1
135.00916	1.0
139.23105	1.1
145.02971	12.1
147.04523	8.6
149.99583	10.9
151.04012	14.3
159.04596	2.1
161.02448	4.8
161.06087	1.1
162.03185	1.6
168.00661	17.8
173.02614	1.0
176.01076	1.8
177.01950	36.4
181.21103	1.0
187.04074	2.3
189.01965	87.4
190.02748	18.6
191.03529	19.6
203.03603	10.9
216.00665	11.8
217.01465	47.9
218.02203	1.7
219.03041	19.5
231.03018	15.5
241.05026	4.5
245.08170	1.1
271.06125	2.1
283.06143	4.2
289.07227	4.9
305.20831	1.0
311.05542	4.3
317.05933	1.1
323.05597	2.0
341.06720	100.0
342.07153	1.4
435.10349	44.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44654	0.4
57.03466	2.6
59.01389	14.1
61.98835	0.6
63.02424	2.6
65.00330	24.0
71.01411	3.0
81.03528	0.6
83.01404	13.8
84.87931	0.6
87.00900	0.6
89.02471	2.1
93.93436	0.5
95.01391	0.6
101.02469	0.6
107.01398	35.8
109.02953	2.1
110.83053	0.5
118.68169	0.5
119.05015	1.1
121.02970	3.0
122.03728	1.0
123.04514	15.0
124.01675	5.8
125.02444	22.4
125.29749	0.6
131.07188	4.4
133.02960	7.3
135.04501	4.5
137.02454	0.7
139.04034	0.9
149.02469	2.7
149.06219	0.7
150.03246	28.7
151.00388	100.0
151.04005	27.3
152.01173	22.5
152.02370	1.1
153.01932	1.2
155.05063	0.7
159.04495	0.9
169.01447	3.0
171.04517	0.8
173.08231	0.7
174.03227	1.2
175.04045	6.2
176.01184	1.0
177.01938	3.0
178.99878	13.6
185.06099	1.0
189.05580	1.1
193.05008	0.6
199.04054	5.1
201.02081	0.7
211.04004	0.7
213.05664	1.0
215.03511	0.6
216.04433	0.6
217.05133	3.2
229.05043	1.0
239.03654	0.8
241.05086	2.2
257.04645	1.1
259.06256	0.6
273.11298	3.9
275.05634	0.9
283.08258	2.6
285.04095	52.2
302.04218	1.1
303.05182	11.7
309.06305	2.6
341.54263	0.6
435.09341	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	435.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21761	1.0
50.42823	0.9
50.49433	0.8
51.34110	0.8
52.12715	0.7
59.01384	18.3
61.98837	8.5
62.60368	0.9
63.19629	0.9
66.20444	0.8
69.03461	5.9
71.01388	2.0
75.35882	0.8
83.01387	2.0
85.02964	3.6
93.03020	0.9
93.03465	15.8
95.01379	1.5
95.05016	2.0
97.02929	6.5
104.24918	1.1
107.01379	1.5
107.05029	1.4
108.02198	1.1
109.02959	27.5
113.02418	1.6
117.03459	4.7
119.05006	2.4
121.02942	10.8
122.03761	0.9
123.00894	9.4
123.04523	26.7
124.00845	1.4
124.01656	27.3
125.02443	73.5
133.02922	4.5
135.00917	0.9
137.02414	4.1
139.03926	1.2
145.01973	1.2
145.02965	13.4
147.04518	9.2
149.02525	1.2
149.99596	50.7
150.03223	1.6
151.00360	2.2
151.04039	12.1
159.04456	3.6
161.02443	2.0
162.03267	1.1
168.00644	72.1
169.01364	6.4
175.04057	1.1
176.01140	1.2
177.00485	1.3
177.01945	32.0
187.03947	4.3
189.01950	83.2
190.02724	18.9
191.03505	16.3
195.08128	1.6
203.03545	9.7
216.00629	13.3
216.99376	1.8
217.01440	49.9
218.02075	1.1
219.02992	16.8
229.08733	1.4
231.02982	13.6
241.05128	1.5
269.04468	1.3
271.06110	2.0
273.20901	1.2
277.98050	1.0
281.04565	1.6
283.05908	1.6
289.07385	2.1
297.07623	1.9
311.05545	6.0
313.05698	1.5
323.05685	1.7
341.06702	100.0
341.91418	1.0
375.20297	1.0
417.08270	1.6
435.09531	95.2
436.10031	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.245
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83403	0.5
54.96558	0.5
55.48203	0.5
56.73933	0.6
59.01390	100.0
65.68578	0.6
68.40934	0.5
71.01407	3.3
73.02950	0.8
77.67006	0.6
83.01400	0.6
85.02976	1.0
101.02469	4.0
104.03464	0.5
113.02460	0.8
128.87186	0.7
150.75307	0.8
154.14555	0.6
161.04544	2.3
195.64053	0.6
229.70929	0.7
300.03033	0.7
373.22412	7.4
405.95236	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21274	0.6
52.61608	0.7
52.65034	0.7
57.03469	0.9
59.01389	100.0
62.20742	0.7
63.44932	0.8
63.92027	0.6
65.28861	0.8
78.95929	4.2
112.43468	0.8
115.85738	0.9
148.03331	0.8
152.99606	4.8
154.00015	1.5
155.00023	1.6
227.70143	0.8
324.41196	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.6
61.23227	0.2
61.98837	100.0
64.34555	0.3
67.33808	0.3
119.14305	0.3
125.02403	1.0
125.06119	0.3
158.77640	0.3
162.64336	0.3
165.09219	3.0
209.06346	0.5
209.08217	9.8
210.08566	0.7
211.08791	0.6
261.09915	0.3
371.13480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2038
Annotation	Unknow
Peak:m/z	Relative Intensity
53.45090	0.3
54.01992	0.3
59.01396	8.5
60.01727	0.9
61.01826	1.6
61.98845	100.0
73.02985	0.4
73.51440	0.3
78.24358	0.3
91.57081	0.4
105.68398	0.3
151.00418	0.5
170.90933	0.4
178.99872	0.5
224.20923	0.4
224.69176	0.4
242.51665	0.4
271.54593	0.3
290.61560	0.4
374.21652	0.5
417.36542	0.4
430.60413	0.5
452.61795	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30447	2.6
55.35356	2.8
57.03465	5.1
59.01389	89.3
65.00338	19.5
65.38920	3.2
71.01383	23.3
72.99338	5.7
73.02962	5.3
83.01405	16.2
85.02957	13.3
87.00893	4.8
88.98808	14.6
89.02458	17.7
101.02464	12.8
104.29088	3.2
107.01403	33.9
109.02950	4.3
113.02486	4.9
113.06094	5.5
121.02935	4.2
121.31669	3.2
123.04535	20.4
125.02447	18.3
131.07147	37.9
133.02950	6.8
135.04521	4.3
149.00940	13.0
149.02408	6.2
150.03217	38.2
151.00385	100.0
151.03993	23.5
152.01155	22.1
169.01355	4.9
173.08261	13.5
174.03258	3.9
177.01953	3.1
178.99901	7.1
206.46461	3.5
226.89804	3.5
229.08818	3.3
241.05042	4.1
241.08478	3.4
273.08124	3.7
285.04099	71.7
388.20691	4.4
422.66296	3.5
435.09442	19.4
435.22321	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	433.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01371	1.2
59.84364	0.2
61.98812	0.5
65.73459	0.2
68.38286	0.3
76.85718	0.3
78.95907	65.9
96.96960	8.2
98.08115	0.2
100.72131	0.3
150.98024	2.2
152.99611	100.0
171.00661	2.9
177.49214	0.3
192.33929	0.3
192.44446	0.3
196.32462	0.3
199.80295	0.3
279.23352	0.6
284.60028	0.3
388.19736	0.3
433.11981	0.3
433.23621	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	433.2364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	2.5
61.98829	3.0
64.05671	0.3
78.95899	80.4
89.47863	0.4
96.96957	7.7
101.30887	0.4
143.40015	0.4
150.97983	2.7
152.99586	100.0
164.03799	0.4
165.31410	0.4
171.00648	2.6
205.69647	0.5
215.91208	0.5
238.41702	0.4
279.23276	2.3
317.56259	0.5
423.63971	0.5
433.23541	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	433.1147
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83360	0.5
59.01383	9.8
63.02402	5.7
65.00324	14.6
68.99835	0.6
71.01395	0.9
76.66847	0.4
83.01388	11.7
89.02454	0.8
90.94192	0.4
91.63508	0.5
93.03442	6.3
102.25777	0.6
104.60043	0.5
107.01393	28.4
108.02152	0.5
119.05027	47.5
125.02459	6.3
133.02902	0.7
137.02475	0.9
138.01898	0.5
143.05037	1.2
145.02972	5.7
151.00383	83.6
161.06093	0.8
165.01913	7.5
169.01434	4.4
177.01971	6.7
185.06006	3.8
187.04031	4.9
193.01407	0.8
227.07167	4.5
228.03757	0.6
257.19968	0.5
271.06155	100.0
272.06470	0.6
313.05984	2.8
433.11487	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1149
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
51.64000	0.7
53.63865	0.6
59.01390	23.6
61.01765	0.7
61.98837	6.8
63.02132	0.7
63.02398	5.6
65.00334	15.8
65.00637	1.1
71.01417	1.7
73.02973	0.7
79.63737	0.8
83.01395	14.4
83.42171	1.0
85.02972	0.8
87.00905	1.1
89.02447	1.6
93.03461	7.3
94.24733	0.9
97.06641	1.0
97.93027	0.7
107.01395	27.9
109.02935	1.1
113.02484	0.8
117.03472	1.0
119.05025	56.2
121.02958	1.0
123.04518	0.9
125.02460	5.1
133.02972	0.9
143.05034	1.1
145.02969	7.8
149.02477	0.8
151.00380	84.6
161.06055	1.3
162.49059	0.8
165.01929	7.4
167.07979	0.7
169.01440	4.7
177.01970	5.3
185.06105	5.0
187.04016	5.7
199.07535	0.9
211.13574	0.8
227.07132	5.0
229.04633	0.7
241.08719	5.1
256.03500	1.1
257.03702	1.1
269.04453	1.2
271.06143	100.0
272.06567	0.9
285.04037	1.2
286.04004	1.6
287.04681	1.5
313.05847	4.1
373.08835	1.0
433.11478	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	433.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
58.38022	1.6
59.01394	28.6
61.98845	2.1
71.01409	2.1
83.91570	1.7
90.64841	1.7
111.88375	1.5
119.05016	2.0
122.03758	1.9
123.04518	8.7
136.05295	2.2
143.44386	1.8
149.02473	6.5
150.03235	14.8
162.03181	3.4
163.04016	15.5
164.04811	32.3
175.03961	2.4
175.89523	1.5
194.09375	1.8
207.92467	1.6
211.13521	2.0
271.09729	7.7
283.09662	3.7
285.11304	30.4
297.11417	7.4
313.10855	100.0
313.14517	3.2
325.10577	11.8
343.11871	19.8
404.50562	1.8
433.15128	6.4
435.94806	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2002
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00004	4.6
58.27150	5.4
59.01395	100.0
61.98840	7.4
67.06599	4.5
81.90195	5.2
85.02949	6.3
86.43757	5.6
101.02477	7.0
121.02934	8.4
129.29430	4.8
134.03683	6.7
140.80450	5.4
149.02437	7.2
252.01578	6.5
259.97086	5.9
271.09845	37.8
318.70963	5.4
448.81546	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	433.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01200	14.6
59.01538	21.9
59.70489	0.4
69.27502	0.5
71.01195	0.6
71.01520	0.8
73.57324	0.5
83.01537	0.7
89.02560	0.5
93.03114	0.5
93.03616	1.5
101.02639	0.5
107.01601	2.8
108.02362	2.1
109.03129	2.1
119.05247	2.3
121.03157	2.2
123.98449	0.4
125.02598	0.7
135.00984	1.2
137.02605	1.8
143.05135	0.4
148.01854	2.5
151.00380	8.5
161.02589	0.5
161.04738	0.5
163.00377	3.6
164.01234	0.7
165.00644	1.0
165.01927	27.7
179.00072	2.4
179.05782	0.6
185.06203	1.9
187.04059	0.6
199.04189	0.7
199.07623	0.5
201.02052	0.7
203.03683	0.7
211.04051	0.8
215.03661	0.7
216.04448	0.6
225.05682	2.1
226.02945	2.5
227.03593	4.0
227.07150	4.4
229.05043	0.5
243.02991	15.0
253.05157	3.0
254.02332	2.3
255.03008	31.3
256.03485	0.7
271.02563	76.5
271.06140	18.5
272.03131	3.3
283.02545	1.0
299.02094	0.8
300.02786	100.0
301.03510	21.0
313.07196	1.0
373.18472	0.6
433.07388	40.7
433.19821	1.3
434.07617	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46413	0.4
53.10476	0.4
53.33924	0.4
55.81243	0.5
56.44696	0.4
57.03460	0.6
59.01387	10.3
59.52464	0.4
63.02401	3.7
65.00329	15.9
71.01401	2.1
73.02972	0.5
78.97314	0.5
80.03395	0.6
83.01396	13.6
85.02975	1.0
89.02448	2.2
93.03457	6.2
94.85617	0.5
95.14845	0.5
101.02451	1.2
107.01400	31.4
115.30442	0.5
117.03465	2.0
119.05027	53.8
121.02976	0.8
125.02439	6.8
133.02980	0.6
137.02431	1.2
143.04993	0.7
145.03027	5.7
149.02434	0.7
151.00391	95.9
161.06102	1.1
163.03984	0.5
165.01932	7.6
167.52571	0.6
169.01457	6.7
177.01944	7.9
185.06081	4.0
187.03992	5.6
193.01402	0.5
211.32010	0.5
225.03304	0.5
227.07228	4.2
269.04822	0.7
271.06161	100.0
272.06473	0.6
313.05875	2.9
433.11496	20.0
433.24695	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.6
58.55425	0.5
59.01389	10.9
63.02398	5.8
64.57963	0.5
65.00331	14.4
71.01376	4.5
74.28345	0.6
83.01404	11.6
85.02972	0.8
86.63922	0.6
87.00895	0.9
88.98796	0.7
89.02451	3.0
92.10679	0.8
93.03465	7.1
95.01402	0.6
96.96030	1.4
99.00923	0.9
101.02480	1.0
107.01398	30.5
107.53042	0.5
108.02165	0.6
113.02410	1.0
117.03489	1.3
119.05030	52.2
121.02947	2.9
124.19824	0.5
125.02450	6.0
133.02969	1.0
135.04494	0.8
143.05051	3.0
145.02968	5.0
151.00392	83.9
161.06136	1.3
165.01941	8.6
169.01427	5.6
177.01961	9.1
185.06032	4.9
187.04036	4.8
199.07614	0.9
227.07233	4.5
253.04927	0.8
271.06165	100.0
272.06549	1.4
279.91931	0.7
313.05853	3.3
415.71384	0.7
433.11804	16.5
433.17346	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	433.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95866	0.4
57.03472	0.6
59.01397	3.9
60.07549	0.4
63.02407	4.2
65.00333	7.2
68.42368	0.4
73.02956	0.5
73.12773	0.4
81.03042	0.4
81.03474	0.8
83.01401	5.2
88.99324	0.5
93.03500	0.6
95.01386	0.6
96.02177	1.0
107.01382	11.2
111.00919	1.7
117.03475	2.6
119.05038	1.8
123.00861	3.4
124.01659	17.6
125.02436	11.2
133.02937	0.7
134.03757	2.9
135.04509	4.8
137.02419	0.6
139.00372	2.9
140.92722	0.4
141.01970	0.7
141.46315	0.4
151.00386	29.6
152.01166	100.0
153.01686	0.7
161.02594	0.4
169.01439	2.8
169.06650	0.6
172.05392	0.7
173.06076	1.8
177.05618	0.5
178.99869	64.2
180.00662	6.9
181.06624	0.7
193.01247	0.4
197.06223	0.4
201.05608	1.0
215.07228	1.0
219.06635	0.5
225.05521	1.8
241.05214	0.6
243.06485	1.9
259.03333	0.6
259.06110	20.0
269.04575	50.4
270.04630	0.5
271.06091	2.3
286.04886	8.6
287.05609	14.2
362.24973	0.5
407.82483	0.5
433.11462	39.4
434.11746	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75514	0.2
57.03466	0.5
58.03820	0.2
58.65971	0.2
58.79736	0.2
59.01393	2.6
60.58110	0.2
60.71711	0.2
61.98855	0.4
63.15470	0.2
64.34411	0.3
71.01398	0.4
73.02950	0.9
85.02992	0.3
89.02452	0.5
96.96047	0.2
99.04517	0.3
101.02435	0.5
105.82828	0.3
108.02187	12.4
114.93443	0.3
125.02473	2.3
126.02770	0.4
138.01981	100.0
139.02405	0.2
151.03990	0.5
159.04410	0.2
161.02469	0.3
163.06058	0.2
177.02010	0.3
192.00584	0.5
192.91563	0.3
207.02982	0.4
289.06995	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.0783
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
59.01385	100.0
61.98858	0.5
65.00318	0.6
71.01388	3.6
83.01363	0.6
85.02945	0.7
89.02448	3.2
100.17088	0.5
101.02435	0.8
106.30512	0.5
108.02209	0.7
108.55386	0.5
113.02451	0.6
119.03468	0.6
135.32410	0.6
143.05005	1.1
148.01712	0.8
151.00369	3.8
163.00346	0.6
178.99834	0.8
183.04488	0.7
183.08205	0.9
185.06046	4.0
209.06053	0.9
225.05594	2.4
226.02617	0.7
227.03571	1.2
227.07147	18.9
243.02997	6.3
253.05074	10.9
254.02296	1.2
255.02994	14.6
271.02493	28.8
271.06091	18.3
272.03195	1.0
279.54639	0.6
287.14975	0.7
300.02780	49.4
301.03503	9.2
433.07568	21.1
433.12354	0.9
433.24463	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
57.97427	1.0
59.01384	100.0
61.98822	1.3
70.20391	1.3
84.01484	1.1
102.18008	1.0
102.19197	1.3
116.30061	1.3
155.30052	1.2
180.45911	1.3
189.09251	1.4
218.84499	1.2
295.27707	1.3
347.03647	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	431.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88556	1.6
59.01385	100.0
63.53576	1.5
72.50330	1.5
75.45737	1.8
81.30851	1.5
110.02287	2.0
119.81032	1.8
159.29486	1.8
180.73395	1.8
269.84381	2.1
271.53989	2.1
338.24939	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.3534
Annotation	Ergosta-7-ene-3beta,5alpha,6beta-triol
Peak:m/z	Relative Intensity
104.07485	1.6
108.38798	1.7
121.06619	11.3
135.18211	1.8
149.06105	100.0
175.07622	2.4
330.25497	2.4
416.32861	3.3
431.35449	45.1
446.15244	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.221
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	4.1
61.98815	0.4
78.95905	79.3
92.10205	0.5
96.96965	8.2
101.44828	0.5
107.17220	0.6
113.65556	0.5
150.98074	2.4
152.99606	100.0
171.00653	1.2
277.21786	1.0
285.76837	0.6
431.22183	11.1
432.23032	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01461	0.2
58.69208	0.2
59.01393	0.3
61.98839	0.3
62.63571	0.3
78.95911	63.9
96.96973	7.7
104.08453	0.3
150.98070	2.5
152.99606	100.0
171.00664	3.0
175.63680	0.3
211.34608	0.3
277.21930	0.5
279.79630	0.3
355.92682	0.3
431.22083	7.1
440.01501	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.2293
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18554	0.7
57.03461	5.1
59.01390	18.5
60.97633	0.8
61.80789	0.7
61.98793	0.8
63.02395	0.9
65.02872	0.8
65.93568	0.8
71.05015	1.3
81.03484	1.8
85.02965	3.7
86.97078	0.9
87.04521	60.8
89.06055	0.9
93.03452	1.1
99.04530	4.7
101.02467	1.6
102.52028	1.1
107.01391	1.2
113.02447	1.4
123.04523	2.0
123.08179	1.3
125.02435	6.9
125.06123	3.7
135.00928	1.3
143.04906	1.3
151.00417	2.2
161.02444	10.2
163.00378	1.7
165.09221	25.5
172.66910	1.0
175.04002	4.3
176.04903	7.4
183.04446	1.4
184.24968	1.1
185.06001	1.1
187.04016	3.6
187.57852	1.0
190.06427	1.4
191.05356	1.0
191.07103	1.7
207.17555	4.6
209.08235	76.1
211.04115	4.2
227.03552	78.5
228.03998	1.0
229.05063	11.0
255.03035	100.0
256.03763	9.6
257.04556	6.0
267.03140	1.1
269.04581	2.3
269.17618	76.9
284.03305	71.1
285.04083	70.1
339.08844	1.2
357.13562	10.6
371.13480	6.9
431.09940	64.1
432.10690	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1846
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82846	26.6
54.83145	22.1
59.01401	100.0
64.97382	23.6
72.64124	25.6
73.20797	25.6
120.76798	23.1
170.96886	34.7
173.23540	25.5
233.15469	60.5
255.02895	60.2
309.75204	32.9
368.18130	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	431.1927
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	100.0
61.79189	4.2
71.01395	42.0
83.01411	4.9
83.05068	4.4
85.02984	6.8
89.02435	54.0
96.96031	6.3
97.02978	5.2
101.02452	25.1
108.02152	4.6
113.02486	10.5
115.92056	5.3
117.05605	5.7
119.03488	16.5
123.00832	5.0
124.01673	29.5
125.02448	65.0
149.99615	32.5
153.05504	5.1
157.42148	4.6
161.04507	4.6
164.77176	5.2
168.00668	62.9
175.02731	10.1
176.03220	4.6
179.05614	44.9
179.22473	4.6
202.82088	7.0
268.06180	5.0
269.06482	25.8
299.08563	4.4
299.12094	5.4
397.98840	4.9
431.11966	77.4
431.19122	28.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68291	1.0
55.81369	1.1
57.03448	7.2
58.00600	1.5
58.91138	1.0
59.01384	100.0
69.03472	1.3
71.01387	20.2
72.99309	2.4
73.02947	36.9
74.24827	1.3
78.67140	1.4
83.01393	2.1
85.02946	13.5
86.00080	1.5
87.00882	10.4
87.04526	5.6
88.07095	1.2
89.02453	19.3
96.96003	1.3
97.02942	2.8
99.04545	2.8
101.02435	40.6
103.04012	19.3
108.02219	1.3
109.02953	2.1
113.02484	1.5
115.03999	8.2
119.03493	8.2
121.33979	1.2
125.02429	11.3
131.03511	13.1
138.01970	21.1
143.03481	11.5
145.05057	5.6
163.06129	55.7
205.07175	18.6
265.09299	3.0
325.11612	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	431.1353
Annotation	7-Hydroxy-3',4'-methylenedioxyflavan 7-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.82992	0.3
55.01879	0.3
57.53833	0.2
59.01384	2.8
60.90789	0.2
71.01404	1.4
85.02962	0.5
89.03962	1.1
90.70007	0.3
91.05537	2.3
93.03478	1.1
95.05030	0.4
101.02438	0.7
106.04235	2.0
107.05046	3.6
107.83797	0.3
116.07780	0.3
119.05021	0.6
121.02972	1.1
121.82461	0.3
123.04527	3.3
133.02963	11.4
134.03749	38.1
135.04536	13.1
137.02405	0.3
147.04556	1.4
148.01662	0.5
149.02499	0.5
158.49870	0.3
161.02457	7.2
161.04498	0.3
162.03246	30.9
163.04024	27.6
165.09219	2.6
180.91971	0.3
185.53720	0.3
241.08615	0.3
251.07129	0.4
269.08234	100.0
270.08551	1.1
301.44547	0.3
312.58878	0.3
399.96173	0.3
404.73831	0.3
431.13974	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	1.1
63.98291	0.8
69.70992	0.8
71.01393	7.8
73.02969	2.2
78.22875	0.8
81.03466	1.7
85.02975	4.3
87.00900	1.9
87.85205	0.9
89.02464	20.3
95.01397	1.0
96.96012	1.1
99.00915	0.9
101.02428	1.0
104.92250	1.0
108.02194	73.9
109.02972	92.5
113.02473	1.6
121.02951	2.1
123.00893	3.3
125.02394	1.0
133.05081	19.0
143.38861	1.0
151.04070	1.4
152.01176	84.3
153.01959	50.3
178.27016	0.9
186.53229	0.9
297.06183	8.6
315.07242	13.6
387.09436	6.7
431.12024	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1198
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
54.83427	0.7
59.00887	0.6
59.01386	1.1
59.77443	0.5
69.03477	5.0
71.01378	0.7
71.05035	6.8
83.01395	0.9
85.02943	0.8
85.15295	0.6
95.01381	1.6
97.02948	4.6
107.01403	1.6
108.63678	0.8
109.02924	0.9
117.05584	16.0
123.00903	9.8
124.01659	34.5
125.02448	75.1
137.02417	6.2
149.02414	1.4
149.99591	50.7
151.00343	4.2
167.03497	0.9
168.00642	82.4
169.01411	6.2
188.15210	0.7
209.04544	3.1
287.48337	0.7
295.04391	0.8
313.05743	5.8
313.85291	0.7
323.46777	0.7
413.10861	3.4
419.32895	0.8
431.11981	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81808	0.9
57.76004	0.8
59.01391	9.7
60.77179	0.9
64.34583	0.9
64.67360	1.1
69.03466	1.3
71.01387	2.2
73.02943	1.0
75.65297	0.9
81.03456	2.2
85.02932	2.1
88.98767	1.4
95.01376	1.4
96.96021	1.5
97.02964	4.5
97.87567	1.1
105.53500	1.0
117.05630	1.4
123.00915	9.9
124.01667	35.5
125.02457	82.5
137.02467	6.0
149.99605	47.0
150.00531	1.1
151.00356	1.7
168.00662	84.8
169.01410	5.6
186.58098	1.1
313.05573	1.9
331.06500	1.9
413.11224	1.2
431.11996	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	0.9
57.03462	0.8
59.01393	5.4
64.68828	0.9
71.01373	8.3
72.99306	2.0
73.02952	1.6
76.58379	0.8
81.03456	1.3
85.02973	5.9
87.00904	1.4
89.02442	25.2
93.03475	1.0
95.01375	1.6
101.02464	3.6
108.02182	93.1
109.02959	77.0
113.02442	1.8
121.02948	1.3
123.00886	1.5
123.04510	1.5
125.02434	1.9
128.11891	0.9
133.05057	10.5
135.00797	1.0
137.02452	1.7
151.04031	1.5
152.01164	99.0
152.22284	1.0
153.01944	45.8
161.04498	1.0
163.04002	1.8
165.02048	1.4
201.94577	1.0
225.96471	0.9
269.10376	1.5
289.07199	1.2
297.06061	4.5
315.07248	13.7
387.09348	8.6
431.11984	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	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83152	1.3
55.01895	0.9
55.18388	1.0
57.03450	1.0
57.54541	0.9
59.01387	100.0
61.98837	2.4
71.01389	12.9
73.02959	7.3
83.01418	1.1
85.02966	6.8
89.02455	7.3
91.96777	1.0
96.96008	6.8
99.00896	0.9
100.33175	0.9
101.02447	8.6
108.02208	2.1
109.02969	1.1
113.02436	6.3
125.02434	1.8
137.09798	1.3
152.01202	1.5
161.04568	2.2
189.12885	2.6
207.13904	2.3
225.14989	1.8
233.18155	1.3
235.06213	1.0
238.34746	1.1
283.11929	2.4
369.19092	1.9
387.20395	1.7
393.17746	2.2
429.13849	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	0.3
59.01383	100.0
64.71121	0.2
71.01380	5.1
72.99335	0.3
73.02922	0.4
80.53256	0.2
83.03076	0.3
85.02962	1.4
85.06600	0.4
89.02435	4.6
89.86928	0.2
95.01414	0.3
101.02444	2.9
104.17072	0.2
108.02175	3.7
109.02967	3.6
113.02425	1.8
119.03491	1.8
131.07129	1.3
141.01881	0.3
152.01154	4.5
153.01910	1.4
161.04489	0.5
179.05614	2.6
196.53781	0.3
289.05042	0.2
429.14059	4.6
429.19962	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	1.0
59.01383	100.0
61.98825	1.8
65.19001	1.1
71.01378	32.3
71.41678	0.9
72.99334	1.5
73.02946	50.3
83.01379	8.6
84.54584	1.2
84.95127	1.4
85.02977	7.7
88.98820	1.2
89.02441	8.1
96.95998	1.6
101.02433	29.1
108.02207	1.1
113.02451	10.6
125.02442	2.2
131.03511	2.1
149.04538	1.5
161.04605	6.4
169.01355	1.5
179.01703	1.1
181.08722	7.6
181.96065	1.0
403.36627	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2863
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67424	0.9
57.06013	0.9
59.01389	100.0
59.85513	0.9
60.77095	1.1
61.98832	2.0
63.60810	1.3
79.45669	1.1
114.75170	1.4
116.01357	1.1
130.45488	1.1
279.79065	1.2
295.22778	16.1
327.05060	1.1
339.07861	1.2
361.39041	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	431.0986
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60214	1.1
54.46536	1.0
63.14705	1.3
63.23631	1.1
70.70457	1.2
80.82397	1.2
87.86674	1.2
107.01411	5.6
127.70603	1.2
129.28967	1.5
135.00862	2.4
141.07158	1.3
143.05061	1.6
153.74828	1.3
159.04443	1.6
163.00403	2.6
171.04541	2.3
183.04422	1.9
185.06035	2.8
187.04007	2.2
189.05634	2.0
211.04033	5.5
213.05589	1.7
227.03545	69.9
229.05095	12.7
239.03571	3.0
241.05046	1.8
255.03020	96.3
256.03760	6.1
257.04544	8.3
267.02887	1.4
284.03299	77.8
285.04068	100.0
428.89075	1.5
431.09897	47.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12852	0.5
58.42604	0.6
59.01389	15.2
71.59692	0.6
74.58988	0.6
83.01399	0.7
84.49086	0.8
85.02955	1.3
87.04520	16.9
93.03500	1.2
96.96008	0.9
101.02470	0.9
107.01443	1.1
107.08899	0.6
109.02914	0.7
117.00882	0.9
125.02445	1.4
137.02454	1.0
147.12740	0.7
151.00397	1.1
161.02446	1.5
163.00394	0.8
165.09258	1.4
171.04640	0.7
176.04800	0.9
183.04596	1.0
187.04021	1.5
189.05814	0.8
197.05933	0.7
209.08221	6.1
209.11749	1.4
211.04089	1.4
213.05551	0.7
227.03548	77.5
229.05103	7.8
235.38507	0.8
239.03596	0.8
243.96021	0.8
255.03026	100.0
256.03827	7.6
257.04572	2.6
269.17584	22.8
283.02481	1.0
284.03323	64.7
285.04099	56.4
286.04489	0.9
286.71576	0.8
327.04666	0.8
357.13583	3.3
431.09912	74.4
431.22113	2.3
441.61743	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53254	1.1
59.01397	4.6
61.98855	1.9
64.34826	1.1
93.03445	11.2
121.02939	2.0
123.04529	1.8
133.02971	2.5
133.13185	1.2
134.03738	16.6
145.00987	1.3
145.02979	20.9
149.06091	25.2
167.05020	5.4
177.01917	1.9
186.50656	1.3
189.01996	2.3
201.01994	1.7
237.05763	2.1
253.05138	1.6
255.02943	5.4
281.04590	100.0
282.05206	1.9
285.04163	1.6
293.04602	15.8
295.06000	4.9
307.06119	2.9
322.04950	4.7
337.07190	15.0
417.92130	1.5
431.11301	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18557	0.2
57.41126	0.2
59.01386	100.0
59.20844	0.2
62.07355	0.2
71.01382	3.1
73.02970	0.2
83.06640	0.2
85.02946	1.1
86.55919	0.2
89.02444	3.5
95.01353	0.2
101.02437	1.8
113.02440	1.3
119.03523	1.4
131.03491	0.2
138.27869	0.2
155.34293	0.2
161.04585	0.4
168.97813	0.2
179.05597	2.2
339.14645	0.2
448.48605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79743	0.2
54.83006	0.3
55.97340	0.3
58.00607	0.3
59.01385	100.0
63.12149	0.3
63.37624	0.2
69.37573	0.3
71.01383	9.5
72.99303	0.4
73.02934	0.3
83.01381	0.4
85.02950	2.3
89.02438	12.7
92.10831	0.5
95.01409	0.5
98.03159	0.3
101.02440	4.4
110.88261	0.3
112.22661	0.3
113.02428	4.4
119.03496	4.9
128.36134	0.3
131.03465	0.3
137.09709	4.3
143.03502	0.6
149.04567	0.5
161.04605	1.3
179.05565	2.9
232.92517	0.3
348.09943	0.3
353.16782	0.3
368.23499	0.4
400.47842	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2136
Annotation	Unknow
Peak:m/z	Relative Intensity
56.47487	0.3
59.01384	100.0
67.03693	0.4
71.01375	6.7
71.01648	0.4
73.02921	0.6
85.02954	2.0
89.02439	8.2
101.02431	2.3
113.02444	2.2
119.03498	2.4
136.10738	0.4
143.03459	0.5
179.05649	3.2
207.71774	0.5
429.21423	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83378	0.3
55.11500	0.2
59.01391	100.0
62.53159	0.3
71.01391	3.2
73.02964	0.5
82.40677	0.3
85.02991	0.6
86.23970	0.4
89.02415	0.5
92.10101	0.8
92.81863	0.3
96.96030	2.2
101.02457	1.5
113.02447	0.5
123.08185	2.3
163.11295	1.7
189.12907	3.1
197.11795	0.4
207.13927	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	429.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	1.8
60.01738	0.3
61.01022	0.3
61.98843	1.3
63.66663	0.2
69.31427	0.3
71.01397	0.4
74.33627	0.3
77.29607	0.3
78.95905	14.9
79.95727	2.9
85.02962	0.3
85.51104	0.3
89.02457	0.3
96.96013	100.0
96.96934	20.7
107.05041	0.4
108.37890	0.3
116.92832	1.3
119.05002	0.4
129.63068	0.4
133.02953	0.5
140.87901	0.4
147.04524	0.5
151.03931	0.3
175.03995	0.7
184.74289	0.3
207.08363	0.4
217.61642	0.3
219.03000	1.1
232.42206	0.4
393.41391	0.3
429.08560	2.9
449.64035	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01083	0.7
57.03468	3.8
57.19367	0.8
59.01385	100.0
71.01379	14.4
73.02943	3.3
76.88476	0.8
83.01411	2.2
85.02967	2.0
87.00890	2.2
89.02443	8.4
95.27341	0.8
101.02473	6.1
107.05026	5.5
113.02472	4.7
119.03528	1.4
120.05824	2.2
134.38194	1.2
135.04510	0.9
161.04582	1.3
161.09715	9.7
161.13361	3.5
187.11314	10.8
189.09253	2.0
197.80368	1.0
205.12303	1.2
223.13419	32.2
249.11378	2.1
267.12427	42.7
369.19196	1.5
394.50247	1.0
429.17752	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	429.177
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16563	0.7
54.77731	0.7
57.03462	3.3
59.01383	100.0
61.25156	0.8
61.45866	0.7
63.91692	0.7
68.85077	0.8
71.01380	13.2
71.05015	0.9
73.02971	1.2
78.64892	0.8
83.01405	1.0
83.05058	1.3
85.02970	3.9
87.00900	4.9
89.02439	14.2
96.96046	1.6
97.06605	1.1
101.02445	6.4
104.17068	0.8
107.05029	8.5
113.02470	4.5
119.03506	3.5
120.05821	4.5
124.32680	0.9
135.04565	1.9
146.07436	1.0
159.08194	1.7
159.11876	0.9
161.04573	1.4
161.09756	16.0
161.13379	4.4
163.11316	1.5
179.05505	1.0
186.33023	0.8
187.11275	19.4
189.09146	5.9
192.31129	0.9
205.12436	3.4
207.10268	4.0
212.08752	0.9
223.13446	48.4
249.11287	3.2
267.12393	44.2
270.13403	0.9
302.63382	0.9
429.17703	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	429.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05634	0.2
64.03719	0.2
66.14146	0.2
82.39964	0.2
99.00880	1.4
99.92582	4.4
100.93363	8.2
115.92078	100.0
116.92116	0.7
116.92856	7.0
117.92458	0.3
121.18427	0.2
129.15358	0.2
132.92352	0.4
142.94470	0.3
160.89752	0.3
172.95483	4.1
255.23279	1.2
294.24680	0.3
311.96393	0.3
346.08923	0.3
355.16113	0.5
381.17566	0.5
387.67538	0.2
395.17319	0.2
429.19690	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	429.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
69.91570	0.3
71.01376	4.3
75.97344	0.3
76.64188	0.4
83.01353	0.4
85.02956	0.7
89.02451	3.6
89.29691	0.4
101.02425	2.1
108.02175	1.7
109.02974	1.4
113.02444	1.6
119.03473	0.7
126.80246	0.4
131.07135	0.6
143.03470	0.5
152.01184	1.7
153.01941	0.6
161.04811	0.4
179.05620	2.5
243.31477	0.3
255.02347	0.3
278.91873	0.4
304.54645	0.4
429.13968	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	428.2655
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01550	0.9
57.22222	1.0
58.93787	1.1
59.01392	2.8
61.98840	100.0
74.43126	1.1
156.66620	1.2
219.12109	1.1
313.24207	1.4
370.33484	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.0341
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	1.4
59.04608	0.1
61.03514	0.2
70.91358	0.1
71.01390	3.1
73.02955	0.7
78.95926	0.3
79.95752	1.5
85.02963	0.3
87.00894	1.1
88.98833	0.3
89.02448	1.7
96.96020	100.0
98.95604	0.8
101.02450	0.2
113.02467	0.2
115.00389	1.3
116.92899	0.2
117.01933	1.2
119.03574	0.2
123.00906	0.9
124.01634	0.2
125.02453	4.4
133.01439	2.2
133.05077	11.2
139.00337	0.2
147.06670	0.8
151.00362	0.8
162.53389	0.2
168.00591	0.4
169.01448	6.7
271.04590	0.2
293.23376	0.2
302.66089	0.2
309.46915	0.2
331.03033	0.4
331.06763	6.1
355.06650	0.2
369.17700	0.3
417.88321	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	58.5
91.04026	9.5
106.95986	5.3
157.52817	5.3
212.52798	5.7
215.90192	6.0
220.14575	9.7
221.15498	100.0
223.72408	4.8
234.67766	6.7
418.78223	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	428.1777
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52485	0.2
59.01378	3.1
60.01724	0.3
61.01807	0.3
61.98832	100.0
71.01393	1.3
83.01370	0.3
85.02968	0.4
87.00877	0.3
89.02444	0.4
92.40525	0.2
95.91739	0.2
96.96021	0.5
99.39606	0.3
101.02435	0.5
103.16388	0.3
132.55710	0.2
137.68114	0.2
175.69116	0.2
181.27112	0.2
221.04108	0.4
287.65906	0.3
368.19028	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.2707
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88882	1.8
54.86478	1.6
59.01389	100.0
78.10479	1.8
80.93002	1.9
84.09228	1.8
108.56263	2.0
116.92916	4.4
132.75267	2.0
133.75803	2.0
160.17267	1.9
188.54228	1.9
245.50584	2.1
284.00986	2.2
293.21350	10.5
308.34003	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	427.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00573	9.5
59.01390	100.0
61.98841	20.0
62.19115	9.5
62.97768	9.5
63.43114	9.4
79.80533	11.5
82.82703	10.9
92.10774	40.0
94.78515	10.5
104.54583	11.4
116.89144	11.3
136.01686	17.3
137.02457	26.3
153.68031	11.4
204.99916	11.6
217.36626	10.5
237.25285	12.0
286.71484	12.5
342.15323	12.8
347.11493	13.2
401.55344	14.7
430.17740	13.4
440.63806	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	427.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.0
57.47019	1.0
59.01386	100.0
61.98818	1.8
71.01382	42.4
72.99321	1.9
73.02942	5.7
73.78994	1.1
85.02946	14.4
89.02442	50.6
92.10784	4.0
95.01382	5.5
96.96029	2.9
98.95623	1.6
99.00887	1.9
101.02444	31.9
101.06579	1.4
102.06001	1.5
113.02445	21.4
116.90858	1.4
119.03498	19.3
125.43498	1.4
131.03426	1.8
143.03543	1.9
143.56975	1.4
159.10275	2.5
161.04553	9.3
179.05621	16.2
205.14459	7.9
275.75702	1.7
297.30005	1.5
367.19785	88.1
367.24411	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	427.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53548	0.9
51.68163	1.1
55.01900	7.6
55.55185	1.1
57.03467	2.7
58.00622	1.2
59.01384	93.8
61.98838	19.4
64.35087	1.1
71.01380	68.9
72.99324	3.0
73.02946	29.0
75.00863	1.7
76.34332	1.3
83.01387	15.7
85.02951	29.7
87.00894	2.4
87.29565	1.3
88.98800	1.2
89.02448	41.8
95.01408	8.0
96.53375	1.2
96.96059	1.2
97.02985	1.3
99.00901	12.2
101.02442	68.8
104.68753	1.2
111.00890	2.9
113.02458	28.9
115.04030	1.6
119.03488	12.5
125.02450	1.9
129.02029	1.2
131.03537	3.0
137.02475	1.9
143.03609	1.9
152.01125	1.6
159.03003	5.4
161.04573	20.4
163.04102	1.5
163.07796	1.2
176.04764	1.3
179.05621	8.9
205.14488	10.5
206.05884	2.7
218.69194	1.6
220.03816	23.3
221.08145	1.9
233.06729	1.6
235.06174	11.0
235.11909	57.4
250.04922	6.2
265.07214	27.0
367.16080	100.0
367.19891	47.4
427.12946	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	427.1017
Annotation	Unknow
Peak:m/z	Relative Intensity
56.17883	4.6
59.01386	100.0
61.98842	12.7
63.02216	4.2
64.09863	5.8
69.83423	4.7
71.01398	33.7
73.02957	8.4
84.95126	8.1
85.02956	10.7
89.02454	11.8
92.10090	12.1
96.96003	27.3
101.02460	26.2
113.02457	6.8
121.20429	5.1
137.02350	5.9
155.81775	5.5
161.04547	6.1
195.96695	5.8
196.34451	5.3
221.10391	25.9
224.98280	6.3
243.35875	5.8
248.33977	5.7
251.10950	5.3
252.50018	6.0
366.18054	5.4
367.16071	29.8
372.04294	5.7
391.12335	17.5
427.10324	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	427.1826
Annotation	Unknow
Peak:m/z	Relative Intensity
53.49264	2.1
55.01889	5.7
57.68396	2.0
59.01382	65.4
59.28677	2.1
59.90526	1.9
61.98840	11.0
66.60594	2.2
71.01389	46.7
72.99311	3.6
73.02947	27.6
83.01411	5.5
85.02959	28.1
89.02430	25.8
96.96014	17.1
99.00887	11.5
101.02446	47.5
113.02473	25.0
116.92859	2.8
117.46128	2.8
131.03574	4.7
138.99423	2.9
143.03511	3.2
153.05852	2.4
161.04562	14.0
235.11885	50.8
239.05524	3.2
295.01663	3.5
367.16055	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	427.1827
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	4.1
57.03453	2.3
59.01388	100.0
61.98837	4.5
62.79919	1.8
64.35236	2.0
64.65743	1.6
71.01395	38.5
73.02951	26.0
76.12131	1.8
78.95918	2.5
83.01408	12.0
85.02962	27.2
87.00887	2.9
87.45349	1.6
89.02457	15.6
95.01414	2.9
96.96015	68.0
96.96973	3.8
99.00877	7.6
101.02438	53.2
113.02446	15.5
122.29477	2.2
128.48283	2.2
159.03044	2.9
161.04575	13.9
163.07755	2.0
165.38541	2.1
221.10321	86.1
284.72891	2.0
296.28717	2.3
367.16119	79.8
367.20401	4.4
374.33304	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	427.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	5.0
55.65331	0.7
57.03460	3.6
57.71138	0.8
58.33759	0.9
59.01384	39.6
60.01706	0.8
61.98838	4.8
69.03441	0.8
69.50066	0.7
71.01382	33.4
72.99294	1.8
73.02945	24.8
83.01392	8.2
83.09225	0.8
85.02952	22.2
87.00885	4.1
88.98800	1.1
89.02433	9.3
95.01379	1.0
99.00889	9.6
101.02441	50.7
111.00864	1.0
113.02450	20.4
115.04050	0.9
118.78397	0.8
125.02520	1.2
129.01968	1.3
131.03531	1.5
137.02438	1.1
143.03477	1.2
143.91154	0.9
156.26830	0.8
159.03011	3.5
159.31902	0.9
161.04596	13.0
161.40823	0.9
165.57886	0.9
172.47644	0.9
175.03949	1.5
197.19771	0.8
213.00076	0.9
214.95796	1.0
220.03798	12.6
233.06659	1.4
235.06114	5.7
235.11902	48.1
250.04871	1.6
265.07175	13.2
367.16083	100.0
367.87119	1.0
368.16180	1.5
410.88461	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2187
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78281	0.8
55.85499	0.7
58.32234	0.8
59.01388	8.2
64.43963	0.9
67.60571	0.8
71.01398	26.3
72.99309	7.7
82.82481	0.9
87.00882	4.6
97.06478	1.0
111.08202	1.7
115.00372	4.3
119.67371	1.0
128.29892	0.9
133.02977	7.5
134.03754	14.9
135.04523	6.0
137.02441	4.7
142.88882	1.0
149.00949	5.7
153.12848	5.1
154.93771	0.9
155.10867	1.7
157.03693	1.2
167.10747	1.5
173.81990	1.2
177.01932	4.0
178.02727	9.8
179.03519	2.1
179.14430	1.2
181.12315	1.7
197.11925	3.3
207.13928	1.7
231.10289	1.5
247.20694	6.0
267.10431	2.1
273.18573	2.1
275.09238	5.0
281.21365	1.2
291.19699	26.4
293.10406	6.3
309.20789	100.0
326.94376	1.0
371.70618	1.0
389.13907	5.4
407.20764	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.0713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35804	0.3
59.01401	3.1
59.08512	0.4
65.76547	0.3
71.01384	0.7
78.95909	10.4
79.95748	1.9
85.02953	0.4
89.02473	1.3
96.96011	100.0
96.96919	12.3
127.00351	0.6
134.04700	0.6
154.03525	0.3
158.92545	0.4
175.03868	0.6
219.02910	0.4
316.73395	0.4
365.18408	0.6
426.07224	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	427.0539
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07733	0.2
59.01387	1.6
71.01382	2.6
73.02944	0.4
78.95906	3.9
79.95730	1.8
85.02966	1.0
89.02463	0.2
96.96006	100.0
96.96892	5.2
101.02431	1.7
104.40795	0.2
108.02236	0.3
113.02434	0.4
121.02966	0.4
122.03733	20.4
123.04528	3.5
135.04514	0.6
147.06639	0.5
161.04549	1.8
165.05502	0.3
165.06673	1.3
218.37674	0.3
285.09717	0.5
300.10992	0.3
329.05173	0.4
329.08832	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	427.0554
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	0.6
61.69707	0.2
63.08317	0.3
64.33472	0.2
71.01381	0.2
78.27873	0.3
78.95906	6.0
79.95755	1.8
83.01400	0.3
96.96015	100.0
96.96918	10.0
99.00868	0.3
112.80038	0.3
119.04961	0.3
123.04479	0.9
125.92004	0.3
127.00378	3.0
127.02120	0.4
135.04520	0.4
147.04549	1.7
175.04019	2.6
187.55939	0.2
189.02191	0.5
219.03017	1.8
281.04678	0.4
427.06934	4.3
449.90005	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89160	0.7
55.01879	3.4
55.93813	0.8
57.03458	1.4
57.17783	0.7
59.01387	100.0
71.01383	35.8
71.01772	1.4
72.99318	1.6
73.02942	6.5
83.01411	4.6
85.02949	9.4
87.00890	5.4
87.04498	1.0
89.02448	26.7
95.01376	1.7
99.00869	1.7
101.02448	28.0
113.02462	13.6
119.03498	9.6
143.03528	1.9
146.10951	0.9
149.00935	3.3
159.03014	1.0
159.04407	1.0
161.04561	10.3
174.06670	0.8
175.07726	0.9
176.04823	5.2
177.09248	9.3
179.05692	1.8
187.07674	9.7
202.06369	5.0
203.12938	8.1
205.08740	8.0
231.10275	5.3
249.11391	22.1
265.52106	0.9
275.09302	9.7
293.10281	5.7
345.79529	0.8
365.18225	83.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	4.0
56.91314	0.7
57.03464	2.9
59.01396	100.0
65.64116	0.7
67.12273	0.8
71.01393	30.8
71.01775	1.3
72.99331	1.0
73.02967	12.5
76.57162	0.8
83.01411	5.4
83.70320	0.6
85.02959	19.2
87.00893	5.3
87.04515	1.5
89.02472	5.5
95.01397	0.9
97.06607	1.2
99.00883	4.4
101.02457	27.6
105.78895	0.8
113.02470	11.2
119.04734	0.9
129.65498	0.8
134.03752	1.0
147.04546	1.0
149.00909	7.0
159.02980	1.3
161.04585	26.6
176.04787	4.4
177.09247	8.0
187.07652	5.6
200.24489	0.8
202.06358	1.4
203.12917	4.9
205.08731	6.5
213.71098	0.9
231.10251	1.9
249.11369	12.8
276.31830	0.8
293.10349	3.0
340.03873	0.8
365.18207	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.2035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92032	0.5
55.01896	1.6
57.03456	1.1
58.00625	0.7
59.01393	100.0
61.98852	4.1
66.79614	0.6
71.01395	26.3
71.01775	1.2
72.99336	3.6
73.02950	8.9
83.01419	4.2
83.06007	0.7
85.02968	11.4
87.00894	6.5
87.04533	1.2
89.02453	15.7
94.98106	1.5
95.01402	1.7
99.00909	3.3
101.02451	20.0
103.00393	1.4
113.02465	11.1
115.07677	0.8
119.03529	5.1
120.49220	0.7
129.61703	0.6
147.04572	0.9
149.00919	13.7
159.03040	0.9
159.10266	2.8
161.04567	11.5
176.04756	3.9
177.09224	5.6
179.05681	0.8
183.15666	0.8
185.20601	0.7
187.07660	5.1
202.06523	0.8
203.12953	3.8
205.08731	4.0
209.52512	0.8
231.10345	1.3
249.11377	8.8
293.10172	4.8
298.65628	0.7
304.01346	0.7
365.18231	54.5
389.92715	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97329	0.9
52.54735	0.9
55.00467	1.1
57.03464	2.0
59.01382	11.6
81.03471	2.0
83.01418	2.1
86.64690	1.1
87.00887	11.5
87.94254	1.2
92.66281	1.1
93.03436	1.2
95.05025	2.4
97.02957	1.4
103.00402	4.5
105.03437	1.9
108.02176	2.4
109.02959	100.0
112.98834	4.7
121.02927	2.0
123.04524	13.2
125.02432	24.9
133.02965	21.3
134.03743	56.7
135.04539	24.5
137.02431	17.9
139.04031	5.4
145.02968	6.4
149.00923	20.1
149.02368	2.5
150.03177	1.8
151.04022	8.1
153.01950	89.3
157.06551	1.1
159.04514	5.0
161.06071	4.5
163.02502	1.2
164.01241	1.3
165.01881	1.6
177.01933	18.4
178.02748	29.1
179.03529	14.2
185.06136	1.3
187.03998	2.5
188.04738	2.4
203.07166	10.8
205.04985	2.6
227.07010	1.2
231.10312	4.7
245.08177	9.2
271.06171	2.5
275.09216	17.7
289.07227	51.9
293.10358	16.5
425.08902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3276
Annotation	4,4'-Methylenebis(2,6-di-tert-butylphenol)
Peak:m/z	Relative Intensity
54.83002	0.8
75.49586	0.8
87.52096	0.8
93.88089	0.9
101.42191	0.9
112.18944	0.8
205.16011	100.0
213.81877	1.0
423.32727	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.073
Annotation	Unknow
Peak:m/z	Relative Intensity
55.38109	1.5
59.01379	9.7
67.01895	5.8
68.15275	1.5
69.03470	7.6
72.35414	1.2
83.01381	1.9
85.02950	1.3
87.00874	7.0
95.01374	2.5
97.02970	5.6
104.92942	1.4
109.02950	1.8
111.00891	13.1
112.98812	1.7
121.02950	1.5
123.00899	15.6
124.01653	33.2
125.02447	97.1
133.02951	2.7
134.03749	20.0
135.04543	6.4
137.02458	7.8
144.88431	1.3
149.00946	18.6
149.99600	70.5
151.00301	3.0
168.00656	96.3
169.01375	5.7
177.01927	1.9
178.02756	2.5
183.07832	1.5
203.10753	2.7
213.09203	2.0
231.10269	7.4
257.08270	1.6
275.09317	8.1
281.28833	1.5
293.10501	10.7
313.05692	2.7
407.06015	2.7
425.07330	100.0
426.07932	1.6
431.71228	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	425.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97329	0.9
52.54735	0.9
55.00467	1.1
57.03464	2.0
59.01382	11.6
81.03471	2.0
83.01418	2.1
86.64690	1.1
87.00887	11.5
87.94254	1.2
92.66281	1.1
93.03436	1.2
95.05025	2.4
97.02957	1.4
103.00402	4.5
105.03437	1.9
108.02176	2.4
109.02959	100.0
112.98834	4.7
121.02927	2.0
123.04524	13.2
125.02432	24.9
133.02965	21.3
134.03743	56.7
135.04539	24.5
137.02431	17.9
139.04031	5.4
145.02968	6.4
149.00923	20.1
149.02368	2.5
150.03177	1.8
151.04022	8.1
153.01950	89.3
157.06551	1.1
159.04514	5.0
161.06071	4.5
163.02502	1.2
164.01241	1.3
165.01881	1.6
177.01933	18.4
178.02748	29.1
179.03529	14.2
185.06136	1.3
187.03998	2.5
188.04738	2.4
203.07166	10.8
205.04985	2.6
227.07010	1.2
231.10312	4.7
245.08177	9.2
271.06171	2.5
275.09216	17.7
289.07227	51.9
293.10358	16.5
425.08902	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	0.8
59.01388	100.0
66.98226	0.5
70.44429	0.7
71.01389	7.3
72.99323	1.0
73.57336	0.7
74.07584	0.7
78.95915	1.7
85.02970	2.7
87.00869	0.7
87.04515	47.5
89.02451	7.5
95.01400	0.8
96.96017	27.1
96.96981	4.2
101.02442	4.2
113.02464	5.0
116.51815	0.8
119.03523	4.4
137.06096	1.1
139.07695	1.0
139.11295	8.3
146.03786	1.5
149.00937	4.3
157.12341	1.1
161.04623	1.7
179.05556	1.1
183.10159	0.7
201.11369	53.9
225.11284	5.4
243.12335	1.4
255.12311	1.2
260.40952	0.7
363.16541	0.9
378.85938	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.6
57.03463	3.7
59.01389	100.0
61.98848	2.0
64.31804	0.7
69.03455	1.0
71.01392	39.2
71.01775	1.6
71.05051	1.1
72.99325	9.0
73.02946	7.4
75.00899	1.2
79.83191	1.0
82.95435	6.7
83.01409	4.4
83.92861	0.8
85.02956	11.9
87.00888	17.5
87.04541	1.8
89.02451	22.6
91.33918	1.0
95.01416	1.8
96.96014	20.9
97.06564	1.2
98.95592	9.4
99.00906	1.5
99.92609	4.9
100.93367	1.8
101.02459	23.3
103.00388	2.3
107.05042	5.5
108.02182	1.6
109.02975	1.9
113.02466	14.1
115.00366	5.0
115.92073	25.3
116.92845	7.2
119.03517	6.6
119.05033	1.1
121.02930	1.7
125.02444	2.2
127.07640	1.4
131.03520	1.6
133.01430	5.1
133.05032	1.1
133.06538	3.3
134.03806	1.0
135.04521	9.5
143.03540	1.4
146.03729	11.2
147.04491	6.4
148.99725	1.8
149.00917	48.1
149.06088	8.1
159.02991	1.1
159.04475	1.8
160.05351	1.6
161.04565	9.7
165.05542	1.3
165.09181	1.8
169.01486	3.8
172.05339	2.0
173.06094	2.0
174.03178	1.3
175.04071	1.8
175.07620	10.4
176.04866	1.4
177.05576	8.1
179.03519	17.9
179.05257	1.3
183.10278	1.5
189.70363	0.9
200.04773	1.5
201.09390	1.0
201.11398	8.3
219.06665	2.2
229.08665	5.7
239.05637	34.1
247.09795	7.2
273.07666	1.6
291.08765	5.9
346.57263	1.2
361.05942	8.8
363.16653	73.8
423.09360	3.8
443.22733	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93584	4.0
59.01390	71.7
61.98837	7.4
68.50118	3.6
71.01410	7.6
73.12718	3.4
85.02974	10.0
85.50642	3.5
101.02476	6.1
103.25014	3.5
113.02485	6.0
121.02970	4.5
122.03825	5.4
135.04567	10.0
149.00938	8.1
149.02481	17.6
150.03230	94.3
151.00360	8.7
153.05579	5.9
164.04842	6.0
165.05576	100.0
166.02747	30.5
167.38223	4.6
168.04311	7.3
177.05664	4.8
180.04318	6.3
181.05125	21.9
183.06693	7.6
188.03261	3.9
190.02713	6.9
195.06616	52.5
201.11378	5.9
205.05173	7.3
257.01187	4.5
363.16736	8.4
387.16617	7.6
396.71799	4.4
423.12439	7.1
423.18158	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1795
Annotation	Abyssinin III
Peak:m/z	Relative Intensity
51.95279	2.4
57.03455	2.8
57.63422	2.5
59.01383	52.3
61.98840	3.7
69.95015	3.1
71.01397	4.6
85.02995	5.5
87.00900	4.5
87.90343	2.8
88.63639	2.6
89.02479	3.0
97.17274	2.8
101.02457	5.6
104.08301	3.0
108.54125	3.1
109.02958	5.7
136.04869	2.9
137.09750	5.2
149.00903	7.1
149.02391	4.1
150.03351	4.3
158.03661	3.4
180.04128	3.5
201.09450	8.5
201.11336	100.0
225.07661	3.8
229.08687	12.5
249.11330	7.2
363.20462	6.0
387.19788	2.9
423.17953	56.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	0.6
57.03448	0.6
58.00579	0.4
59.01386	100.0
61.98839	0.5
71.01385	13.7
72.99300	0.8
73.02953	3.9
83.01393	0.5
84.95140	0.4
85.02961	3.0
85.83820	0.3
87.00865	2.2
87.04514	4.0
89.02447	2.3
95.01379	0.5
96.96014	0.9
101.02444	2.4
109.02987	0.4
113.02446	2.4
119.03526	1.6
128.03522	0.6
137.02484	0.4
139.11305	0.6
146.03767	0.9
147.04523	0.5
149.00984	3.0
149.02373	3.0
150.03217	3.4
151.00395	0.7
151.07626	0.7
153.05583	1.7
161.04605	0.6
165.05548	2.5
166.02663	1.8
169.08664	2.0
179.05571	0.4
181.05109	0.6
183.06514	0.6
187.09778	1.8
188.04797	0.9
195.06647	0.9
201.11346	6.9
207.43597	0.4
219.06847	0.6
225.11136	0.5
241.10841	0.5
243.12363	0.6
247.09686	0.7
313.12979	9.5
331.14554	4.5
349.15063	2.4
363.16544	2.4
423.10114	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1796
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93584	4.0
59.01390	71.7
61.98837	7.4
68.50118	3.6
71.01410	7.6
73.12718	3.4
85.02974	10.0
85.50642	3.5
101.02476	6.1
103.25014	3.5
113.02485	6.0
121.02970	4.5
122.03825	5.4
135.04567	10.0
149.00938	8.1
149.02481	17.6
150.03230	94.3
151.00360	8.7
153.05579	5.9
164.04842	6.0
165.05576	100.0
166.02747	30.5
167.38223	4.6
168.04311	7.3
177.05664	4.8
180.04318	6.3
181.05125	21.9
183.06693	7.6
188.03261	3.9
190.02713	6.9
195.06616	52.5
201.11378	5.9
205.05173	7.3
257.01187	4.5
363.16736	8.4
387.16617	7.6
396.71799	4.4
423.12439	7.1
423.18158	29.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54989	17.2
57.09435	15.8
59.01391	33.4
61.98846	100.0
62.70792	17.1
99.17736	16.5
124.63361	19.7
126.56126	16.0
133.02940	25.5
134.03833	25.2
135.04524	46.1
145.86021	20.7
170.35538	18.9
183.39114	18.0
214.64459	22.9
227.03555	71.2
241.05051	19.9
273.07809	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	0.7
57.03463	0.5
58.86385	0.4
59.01385	30.4
71.01376	11.3
72.99299	0.6
73.02959	3.4
81.46416	0.6
83.01404	0.8
85.02959	6.0
85.59248	0.5
87.00877	8.1
89.02442	8.0
92.10773	2.1
93.03472	2.1
96.96020	3.6
101.02445	9.7
106.04260	3.1
107.05036	19.5
108.02183	1.3
109.02975	0.6
113.02441	4.4
119.03466	2.1
121.02951	3.6
124.55465	0.6
128.06364	0.6
131.03522	0.6
133.06599	9.8
135.04535	3.1
149.00919	3.2
149.06085	22.9
151.04073	0.6
161.04564	2.5
164.96071	0.5
177.05583	28.6
179.03514	47.1
195.06616	3.4
201.11369	2.2
219.06607	0.6
221.04578	1.0
239.05640	100.0
240.05975	1.1
277.21225	0.5
363.16650	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12339	73.6
52.21723	62.3
53.19549	60.0
64.34417	73.7
67.73667	75.6
70.30859	76.7
75.24298	76.0
83.15469	78.8
135.59102	81.9
157.09061	83.1
171.70633	88.0
252.33798	100.0
254.01709	99.2
336.27170	87.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.0559
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37904	0.4
59.01377	3.7
61.47650	0.5
61.98845	4.9
69.29237	0.4
70.10310	0.5
71.01374	0.7
72.00883	0.5
79.95747	6.2
85.27546	0.5
92.10097	1.7
100.00412	0.6
107.05044	6.8
109.02940	0.7
113.02452	0.5
117.03452	0.5
118.22248	0.5
119.05027	30.3
121.02946	0.6
133.02960	8.2
134.06105	4.0
135.04532	100.0
136.07707	0.8
147.97736	0.5
148.05351	1.1
161.02469	30.8
162.02762	0.6
162.80014	0.5
163.04019	23.2
178.05109	2.2
180.06706	4.8
206.04631	33.5
214.01805	1.3
298.10928	10.6
342.09885	13.7
378.06625	0.6
383.27139	0.6
422.05615	55.2
423.05780	0.7
426.35031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71304	10.6
59.01388	100.0
63.54007	10.1
64.64994	11.6
70.01624	11.0
104.83073	12.7
114.30884	14.2
114.92840	11.7
181.53108	11.3
205.02960	12.1
298.20547	12.6
328.65585	12.3
407.57001	13.8
426.42035	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	421.1641
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
50.25583	2.9
51.83194	3.3
59.01389	63.4
62.43696	3.0
67.99903	3.6
70.24496	3.2
71.01400	7.0
72.99290	4.7
89.02446	5.4
104.12752	3.3
119.03480	5.1
125.02545	4.3
131.44543	3.8
132.81506	3.9
135.04539	4.8
151.61116	4.1
166.62793	3.6
185.31036	4.3
421.16348	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1641
Annotation	Kuwanon D
Peak:m/z	Relative Intensity
54.82932	4.2
59.01389	32.8
63.36337	3.7
64.42919	3.7
71.01376	9.3
73.02950	4.2
76.57940	5.0
81.05732	3.8
83.07278	3.4
85.02969	5.1
149.02370	4.9
164.04747	4.9
175.00377	31.7
190.02750	88.1
195.82742	4.4
197.41444	3.7
203.15210	4.1
205.05066	100.0
216.32350	4.1
223.06123	15.8
317.34494	3.8
317.38727	4.7
385.11377	30.1
421.16418	45.1
423.05817	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	421.2365
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93994	0.2
59.43093	0.2
60.97548	0.2
77.63178	0.2
80.91701	1.3
92.10739	0.4
95.46348	0.2
100.54945	0.2
140.46638	0.2
146.82294	0.2
163.11295	100.0
164.11575	0.4
339.23325	48.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	11.7
59.01391	25.6
61.97963	1.1
65.00341	1.3
71.92191	1.2
88.27792	1.3
88.98740	1.3
93.03465	100.0
94.95879	1.4
101.02472	7.8
108.02179	2.0
119.57774	1.3
123.04527	1.5
125.02454	1.6
127.00334	2.0
131.01413	2.0
133.02950	1.7
134.03743	69.2
135.04538	1.8
137.02490	1.7
145.01462	5.6
149.06079	28.6
151.04073	2.0
161.02522	1.9
162.03185	1.7
163.02531	1.5
170.92773	1.3
175.00401	7.5
178.02672	1.3
227.07213	2.6
228.04298	17.8
244.51091	1.3
271.06134	40.1
285.07709	5.4
297.04065	2.4
327.08835	10.3
361.29874	11.1
372.10312	1.5
421.13062	30.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.13
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
54.48321	0.4
54.71826	0.3
57.19980	0.4
59.01386	2.1
61.98832	0.4
65.00357	0.5
69.52437	0.4
73.86440	0.4
81.77116	0.5
92.10044	1.0
93.03453	100.0
108.02158	1.0
120.08350	0.4
123.04498	1.1
131.01318	1.0
134.03740	44.0
135.04526	0.5
136.36685	0.4
149.06090	22.3
151.03999	2.2
161.02495	0.5
163.00319	0.4
165.02017	0.5
165.05489	0.9
175.00339	5.9
176.01183	0.5
191.03456	1.6
208.93953	0.4
209.05986	0.4
215.75623	0.4
225.05582	0.5
227.07103	1.0
228.04332	7.7
239.07120	0.6
241.05029	0.9
242.05879	0.5
253.04999	0.7
256.03674	0.5
258.49490	0.5
259.06015	0.5
260.18347	0.5
269.04526	2.1
271.06128	26.8
284.06873	0.5
284.96014	0.5
285.07700	2.8
297.04062	0.8
312.06351	0.6
327.08780	8.1
345.09744	0.5
421.13000	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.115
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83032	1.9
57.03461	11.6
59.01391	22.0
80.05501	1.7
81.03422	2.6
83.01429	2.6
88.69100	1.7
95.01403	3.9
97.41863	1.9
101.02443	7.0
107.01419	2.2
108.02185	2.1
121.02966	2.6
123.00904	3.9
125.02450	9.9
129.29459	2.1
135.04547	2.9
137.02429	3.5
149.99611	93.8
151.00381	15.5
159.90535	2.0
177.14734	2.2
287.50168	2.2
302.02039	2.1
313.05750	100.0
314.41031	2.0
437.56528	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	421.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82961	1.1
57.03459	12.3
59.01393	33.5
60.91229	1.1
68.91171	1.2
71.01396	8.4
71.37225	1.2
72.94685	1.1
72.99303	1.8
73.02961	13.2
73.43497	1.2
83.01403	8.2
83.37718	1.2
85.34210	1.2
87.00894	6.2
87.08635	1.4
88.98838	7.3
89.02470	6.1
90.33319	1.1
95.16106	1.4
98.88924	1.2
99.00893	1.3
101.02455	22.7
103.00393	22.2
109.02960	11.8
115.00385	5.3
119.03490	5.5
121.02966	1.5
127.00378	5.4
133.01460	2.9
137.02449	2.4
145.01466	15.9
149.00912	5.0
158.89291	1.3
159.04517	5.2
161.04614	2.1
163.02509	100.0
172.05264	8.7
173.06140	2.8
187.04051	2.8
187.07671	58.1
197.06235	1.4
199.03987	2.5
199.13358	1.6
201.05576	8.0
201.09305	1.6
202.06421	12.8
213.09283	11.1
215.07292	1.6
229.08656	2.0
231.10312	20.2
245.11882	8.3
257.08224	2.0
275.09308	13.3
289.10837	28.3
345.85556	1.5
408.37369	1.6
421.11411	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	421.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82961	1.1
57.03459	12.3
59.01393	33.5
60.91229	1.1
68.91171	1.2
71.01396	8.4
71.37225	1.2
72.94685	1.1
72.99303	1.8
73.02961	13.2
73.43497	1.2
83.01403	8.2
83.37718	1.2
85.34210	1.2
87.00894	6.2
87.08635	1.4
88.98838	7.3
89.02470	6.1
90.33319	1.1
95.16106	1.4
98.88924	1.2
99.00893	1.3
101.02455	22.7
103.00393	22.2
109.02960	11.8
115.00385	5.3
119.03490	5.5
121.02966	1.5
127.00378	5.4
133.01460	2.9
137.02449	2.4
145.01466	15.9
149.00912	5.0
158.89291	1.3
159.04517	5.2
161.04614	2.1
163.02509	100.0
172.05264	8.7
173.06140	2.8
187.04051	2.8
187.07671	58.1
197.06235	1.4
199.03987	2.5
199.13358	1.6
201.05576	8.0
201.09305	1.6
202.06421	12.8
213.09283	11.1
215.07292	1.6
229.08656	2.0
231.10312	20.2
245.11882	8.3
257.08224	2.0
275.09308	13.3
289.10837	28.3
345.85556	1.5
408.37369	1.6
421.11411	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	420.297
Annotation	Unknow
Peak:m/z	Relative Intensity
57.28928	0.4
59.01393	15.7
60.01732	3.3
61.01820	4.3
61.98842	100.0
66.60836	0.4
70.13216	0.6
148.79013	0.5
185.26776	0.6
286.61990	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
57.45573	0.3
59.01384	8.2
61.98835	0.7
66.42470	0.3
71.01379	1.5
71.08661	0.3
72.99312	2.0
73.02939	0.5
78.95899	7.7
79.95738	1.9
85.02956	1.9
87.00928	0.4
89.02448	1.6
96.96006	100.0
96.96912	10.1
101.02440	2.0
103.00402	0.6
103.85682	0.3
107.96009	0.3
113.02478	0.6
114.30852	0.3
119.03482	0.3
131.34004	0.3
163.02460	1.6
177.01880	0.7
187.50018	0.4
199.09802	0.5
353.57669	0.4
361.18829	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	421.106
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82944	3.8
57.03458	22.0
57.38839	3.7
59.01386	93.6
59.15477	4.0
61.98840	6.3
71.01398	10.4
72.99296	5.1
73.02983	4.7
81.03442	5.8
83.01423	7.5
86.26668	4.1
93.70508	4.0
95.01427	4.9
95.05036	4.9
97.02978	4.8
101.02458	31.9
109.02922	6.5
122.03726	7.2
125.02456	62.7
137.02460	100.0
139.04048	7.6
145.01463	46.6
146.03734	23.7
150.03297	6.5
151.04039	7.9
159.04509	7.9
163.02530	48.6
163.03743	6.8
164.01180	28.4
165.01930	85.9
167.03539	42.6
173.06140	31.4
174.03233	6.8
174.06825	5.8
175.07643	28.8
176.04723	6.7
177.01930	17.1
179.03500	10.8
187.04115	5.9
187.07654	25.2
189.09030	6.9
199.13361	6.7
201.05595	9.4
201.09264	7.0
203.07176	23.7
205.08798	6.9
213.09216	8.2
215.07292	6.6
217.08751	41.0
229.08755	37.8
231.10364	5.3
241.08789	8.8
254.06027	5.0
255.10332	6.3
283.09998	5.9
295.14694	4.9
297.11490	4.8
299.12802	5.8
323.12823	25.4
349.10913	6.4
361.29770	5.2
367.11978	67.7
385.13116	58.7
421.24481	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	419.2211
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01402	14.9
61.98833	11.2
67.21313	11.4
95.31761	9.7
121.02946	21.8
123.64913	11.2
144.78142	11.6
225.05589	44.7
226.68105	10.6
241.05086	13.0
253.05103	44.7
419.15155	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	419.2294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.20470	6.6
54.20525	5.5
59.01384	100.0
64.03434	5.4
65.71662	6.9
66.33192	5.7
69.17835	7.6
79.45203	6.2
92.10123	14.8
93.90925	5.9
105.68127	7.6
145.28020	8.9
168.03021	40.8
171.05447	8.2
197.11876	13.3
337.37979	7.7
344.57254	7.1
359.15179	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	419.2292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03480	3.4
59.01386	100.0
66.20638	3.6
71.01373	5.1
73.02951	4.1
75.00897	4.8
86.66302	3.7
88.98817	16.4
91.84776	4.1
92.10094	12.2
101.02481	8.1
109.03001	7.5
111.00899	6.0
125.02541	3.7
152.10440	4.5
165.05592	5.9
168.03041	55.4
172.17041	4.0
193.05029	8.4
197.11867	21.2
198.46223	3.9
210.33342	4.3
229.08788	6.3
299.09311	8.5
311.03058	4.5
312.91635	5.0
329.10229	4.4
330.08398	19.6
344.12943	5.9
359.15033	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2293
Annotation	Euodionoside E
Peak:m/z	Relative Intensity
50.18758	0.9
59.01385	100.0
71.01377	10.5
83.05032	1.5
85.02968	1.4
89.02442	10.9
101.02448	5.8
119.03453	2.0
125.02411	1.1
137.02478	1.8
143.03506	2.5
169.05754	1.1
197.11856	16.1
241.05075	5.9
257.08353	10.5
269.08377	2.2
314.11789	1.6
329.13803	4.5
341.14099	1.2
359.21237	1.8
363.19363	1.4
401.22034	1.7
419.22958	49.4
419.29691	1.7
425.27649	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3021
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03451	1.0
59.01387	100.0
71.01392	2.1
76.10059	0.9
82.81245	1.1
85.02993	1.0
87.00854	1.0
92.10866	0.9
93.07114	1.9
101.02460	1.1
109.33640	1.0
197.11975	2.2
229.18105	10.2
231.20457	1.0
234.22731	1.0
318.81866	1.1
359.28192	9.8
419.23395	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98583	1.6
53.31811	1.5
54.51686	1.6
59.01385	100.0
61.98847	2.5
64.69485	1.8
71.01381	35.8
72.99324	2.1
76.58426	1.9
80.93382	1.7
83.01470	1.9
85.02965	9.7
87.00900	2.7
87.04510	2.6
88.98830	4.2
89.02442	48.9
92.42603	1.8
95.01402	2.5
96.96014	30.0
96.96931	2.5
101.02436	23.0
101.36555	2.3
113.02460	16.4
119.03471	17.5
122.07352	1.6
131.03502	3.9
135.04556	2.6
149.02434	4.3
161.04626	2.8
164.04803	32.0
168.04514	1.9
179.05592	11.8
179.07167	25.6
197.08218	3.0
359.13504	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	419.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48596	0.9
55.01891	5.4
57.03456	1.5
59.01384	76.9
71.01379	33.0
71.90352	0.9
73.02945	9.8
83.01408	6.3
85.02946	17.7
87.00887	2.5
89.02433	12.7
92.10178	1.1
92.79678	1.1
95.01382	4.0
96.18871	1.1
96.47081	1.0
96.96022	1.5
99.00873	4.1
100.20203	1.0
101.02449	26.5
101.03079	1.2
103.00369	1.2
104.97766	1.0
109.06601	1.0
113.02464	13.2
119.03512	6.0
121.03024	1.2
122.03738	17.0
123.04527	4.2
131.03557	1.4
136.01663	1.1
137.06070	1.2
154.02783	1.2
161.04568	1.5
163.03998	2.1
164.04771	4.8
179.05717	1.3
179.07091	8.2
182.05858	33.1
197.08212	70.7
224.91089	1.3
283.00952	1.1
327.10992	10.1
359.13565	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	419.1567
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.4
57.03459	2.0
59.01387	100.0
60.39637	1.3
69.10221	1.3
71.01381	43.4
73.02956	9.3
74.16964	1.2
74.49821	1.5
83.01405	5.9
85.02959	18.8
87.00900	5.4
89.02439	22.7
95.01389	2.7
96.95999	3.2
99.00862	2.1
101.02447	24.3
103.24776	1.4
104.50623	1.3
109.86099	1.4
113.02451	12.9
119.03528	6.9
121.77428	1.5
122.03745	18.2
123.04506	3.2
131.03593	1.6
137.06056	1.9
143.03461	1.5
161.04611	1.7
167.03529	1.6
179.07112	2.3
182.05862	33.9
197.08223	67.7
197.09999	2.7
327.10880	19.7
333.84595	1.5
359.13544	99.4
369.06741	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1928
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03510	0.7
58.20755	0.8
58.50029	0.8
59.01384	100.0
60.99319	1.1
64.35092	0.8
67.50101	0.8
67.99214	0.8
71.01376	4.4
73.54533	0.7
74.77692	0.9
88.98812	4.2
89.02449	5.3
94.39376	0.9
101.02425	1.5
119.03473	1.1
131.58934	1.0
148.53842	1.0
153.12874	24.6
179.10719	6.7
197.11858	29.7
237.28984	0.9
255.09474	1.2
273.29001	0.9
419.15506	1.0
419.30069	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	417.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	100.0
65.26960	0.4
66.80394	0.5
76.70085	0.5
84.66497	0.5
92.10024	0.9
93.77221	0.5
96.77191	0.5
172.74828	0.5
179.96584	0.5
187.18829	0.6
228.72064	0.6
335.11227	0.6
404.60669	0.6
430.08524	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80860	2.6
58.67104	2.7
59.01389	100.0
62.66115	3.2
73.02998	3.2
85.98791	3.4
101.35436	3.2
113.41335	3.5
116.83763	3.3
149.59860	3.0
172.80359	3.3
181.23433	3.4
252.32193	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	418.0997
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78787	0.2
54.87719	0.2
59.01388	2.2
60.75383	0.2
61.98841	100.0
71.01390	0.9
73.02953	0.4
83.58356	0.2
90.40339	0.2
101.02448	0.4
111.23580	0.3
112.08593	0.2
113.02470	0.4
128.43152	0.2
139.07668	0.4
160.01698	0.3
161.04576	0.4
175.03993	1.1
314.76450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0603
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07639	0.8
57.03459	5.1
57.04578	0.7
59.01393	6.1
65.71443	0.9
69.03445	7.7
71.01392	10.9
73.02939	13.4
78.95908	26.4
83.01429	0.9
85.02958	35.6
86.05597	0.8
87.00879	100.0
92.10808	1.7
95.01386	3.6
95.59756	1.1
96.96017	50.3
96.96976	29.6
97.02949	23.7
103.04011	11.7
111.00865	1.3
113.02464	7.7
113.42580	0.9
115.00368	10.5
115.04067	1.4
118.07020	0.9
121.58477	0.9
129.01942	4.7
153.70180	0.9
157.01443	7.9
175.02483	48.2
209.06766	6.5
217.03539	12.1
233.21675	1.0
303.07263	26.3
321.08194	9.9
419.05859	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.71466	0.7
59.01385	11.0
60.83984	0.9
60.99314	23.2
61.98829	1.8
66.25877	0.9
66.44673	0.9
71.01373	2.1
78.95892	1.1
88.98804	100.0
89.02460	3.9
93.03458	1.2
95.04942	1.2
96.95999	16.3
101.02460	2.0
113.02474	1.1
118.44193	1.1
123.00893	2.2
128.40959	1.2
137.02408	1.7
138.03207	4.2
147.26982	1.0
153.05557	1.4
179.03400	1.5
179.07170	2.0
182.02249	2.1
197.04585	5.0
218.29878	1.0
283.83347	0.9
299.07831	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	419.1355
Annotation	4-deoxyphloridzin
Peak:m/z	Relative Intensity
59.01387	4.7
63.18769	0.1
64.30889	0.2
65.00346	0.3
65.03967	3.3
71.01376	0.3
72.32509	0.2
83.01379	0.3
89.02455	0.2
90.17721	0.2
91.01912	0.3
93.03457	3.2
107.01408	0.8
107.05034	8.3
108.02171	0.2
109.02958	5.9
121.02965	0.4
122.03741	0.8
125.02473	0.2
134.03609	0.2
135.00874	1.3
135.04530	4.0
136.01564	0.2
150.03212	0.4
151.00455	4.1
151.04022	100.0
152.04424	0.3
153.01970	0.8
160.05359	0.2
163.04053	2.2
164.93582	0.2
175.18320	0.2
197.11879	0.2
227.26180	0.2
257.08237	41.4
258.08563	0.8
287.05630	2.6
319.63306	0.2
329.14044	1.0
339.42230	0.2
359.28058	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83009	1.3
57.03458	2.1
59.01389	86.9
60.28036	1.5
61.98842	35.0
63.08154	1.2
66.99671	1.2
71.01390	35.5
72.99330	6.7
73.02961	9.5
78.95894	1.6
79.52126	1.5
83.72203	1.3
85.02975	9.3
87.00900	2.0
88.98814	1.8
89.02443	55.6
95.01232	1.6
95.64515	1.3
96.96000	46.6
96.96967	1.9
97.98061	1.6
98.06117	1.5
99.00885	14.0
99.04532	7.5
101.02450	21.5
109.02937	2.0
113.02475	8.3
116.92862	30.3
119.03508	8.3
123.00915	1.9
123.04613	1.8
124.01646	2.0
125.02465	6.2
127.04015	2.1
131.03481	2.7
137.06105	7.1
138.03163	1.8
149.04558	16.0
150.06888	8.0
151.00357	2.2
152.07202	2.9
154.02692	2.2
161.04594	3.4
164.08447	31.4
165.09207	7.0
168.00679	2.2
176.08449	48.2
177.09204	20.0
179.07155	6.6
182.17963	1.4
191.05629	3.2
194.09502	100.0
195.10278	72.0
221.06744	1.9
248.89468	1.4
357.15652	8.1
417.18085	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	417.214
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77604	2.2
54.80502	2.4
57.27243	2.2
59.01390	100.0
67.07065	2.3
71.01413	5.5
85.03030	3.4
89.02455	4.5
89.82175	2.5
97.30280	2.7
101.02480	3.4
101.40906	2.7
113.02482	3.5
120.79882	2.8
124.00571	2.7
125.02513	2.6
129.49936	2.4
137.02576	3.7
217.00758	2.7
241.51570	2.7
250.95467	2.4
272.70746	2.7
285.04089	2.9
357.19193	3.6
417.21371	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	417.2503
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40821	2.4
52.53589	2.6
55.01884	6.3
55.03318	2.4
58.13099	2.8
59.01383	100.0
59.45686	2.8
62.25788	2.5
65.40392	2.5
66.06922	3.3
67.62068	2.6
71.01382	48.5
73.02946	7.1
75.00900	3.0
85.01766	2.6
85.02942	26.5
89.02471	24.9
92.10786	5.8
99.00860	3.8
101.02436	36.2
103.00560	3.0
104.61873	3.0
113.02454	21.1
119.03472	6.3
124.89710	3.7
125.02409	4.1
149.06076	3.8
156.94479	3.5
159.03011	4.6
161.04544	22.3
162.02057	3.2
225.05559	3.9
284.81403	3.4
331.62997	2.8
396.00742	3.6
408.46692	3.2
417.24985	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	417.2502
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45429	1.4
55.01905	2.5
57.03463	2.2
59.01391	100.0
71.01393	45.2
72.03592	1.6
72.99325	1.7
73.02970	4.1
75.72419	1.6
81.35925	1.6
83.01418	3.9
85.02969	10.4
87.00901	2.0
89.02450	44.7
92.10846	3.5
97.02929	3.0
101.02451	27.0
113.02478	16.7
119.03504	16.3
125.02455	2.6
137.02444	2.2
143.01247	1.7
159.03008	2.3
161.04581	6.7
165.02048	1.8
179.05637	7.9
181.41252	1.7
182.59982	1.8
255.19670	3.7
264.39529	1.7
378.39746	2.1
406.95419	1.9
417.24942	35.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1563
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45002	0.8
52.46149	0.7
56.02240	0.8
57.08691	1.1
59.01386	11.3
63.04279	1.0
71.01389	7.1
73.02940	1.6
73.77722	0.8
85.02960	4.6
93.03453	1.8
100.49255	1.2
101.02442	3.9
105.07111	4.9
107.05063	2.1
108.02225	1.7
109.02975	5.3
113.02459	4.2
119.05019	4.0
121.02942	6.4
124.08639	0.9
125.02376	1.4
134.03676	1.1
135.04523	2.2
147.04535	2.2
148.05293	1.3
149.06091	57.4
159.02869	1.3
161.04561	5.1
255.10289	100.0
260.42169	1.1
271.05930	1.4
385.91672	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1776
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	3.6
57.03457	4.2
59.01387	99.7
61.98834	34.8
65.58180	1.7
71.01389	41.2
71.50691	1.7
73.02954	12.6
75.00868	2.7
83.01402	2.8
85.02956	22.6
87.00931	2.9
88.98842	2.5
89.02453	8.0
95.01417	1.9
96.95997	8.6
99.00878	3.9
99.92596	2.1
101.02435	27.1
107.29419	1.9
111.00891	1.8
112.80766	1.9
113.02456	18.5
116.92869	75.6
117.01983	2.6
125.02424	4.3
135.04468	2.4
139.07671	27.7
147.01984	3.8
161.04597	39.5
173.06108	4.9
176.04663	2.2
209.06125	2.6
210.06903	4.9
211.04091	2.2
219.06644	9.3
225.05595	11.8
226.06299	8.3
227.07190	14.0
239.66020	2.3
240.04384	3.0
253.04988	2.7
254.03664	11.9
254.05902	100.0
255.06631	68.4
300.88489	2.1
351.87213	2.5
355.11523	2.3
357.15598	18.8
417.12057	43.8
417.17114	6.0
425.52850	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	417.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74978	0.6
54.83369	0.7
55.01887	6.4
57.03466	4.7
59.01384	100.0
61.98836	5.9
64.35240	0.7
67.82333	0.7
71.01382	48.8
73.02943	15.8
83.01389	7.1
85.02950	25.7
87.00890	1.3
87.30474	0.7
89.02478	2.9
92.10075	1.1
95.01389	5.5
96.96039	3.9
96.96963	1.0
99.00877	7.0
101.02443	27.0
101.03084	1.1
108.02188	1.0
111.08160	7.7
113.02451	24.4
125.02480	1.5
137.76935	0.8
139.06595	1.4
139.07663	39.8
143.03539	4.0
159.03026	6.1
161.04570	49.8
173.23776	0.8
175.97285	0.7
195.10281	4.9
205.03497	0.7
269.51678	0.8
357.15598	23.8
357.19821	1.3
387.20486	0.7
417.18008	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	417.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49658	0.5
52.40805	0.6
55.01899	1.2
57.03477	1.2
58.06571	0.6
59.01387	100.0
61.98831	0.7
71.01383	27.6
71.01770	0.9
72.99332	1.0
73.02963	3.7
83.01427	2.9
85.02956	10.1
85.03381	0.7
87.00874	1.2
89.02441	24.1
92.10756	0.9
95.01402	0.9
99.00900	0.7
101.02444	14.7
113.02446	10.4
119.03493	7.9
131.03496	0.8
143.03528	0.7
159.03033	1.1
161.04562	15.6
161.74947	0.6
170.00589	0.8
177.09189	3.6
179.05652	4.3
195.10281	1.3
346.22366	0.6
357.15616	21.9
401.56488	0.7
417.17929	1.4
442.71609	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0832
Annotation	Unknow
Peak:m/z	Relative Intensity
77.91137	0.6
77.91600	0.5
97.47034	0.6
105.92860	0.5
107.05039	1.1
120.21992	0.5
135.00916	0.6
149.06062	4.2
164.91383	0.5
178.63126	0.6
183.04478	1.4
183.10962	0.7
183.38889	0.6
211.04001	2.3
221.76982	0.7
227.03545	79.0
228.04091	0.6
240.63390	0.6
255.03024	100.0
255.10275	3.0
256.03845	6.8
257.04678	0.9
284.03308	75.5
285.04092	24.4
417.08374	68.7
417.14218	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.0834
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
59.01394	1.3
63.02425	0.3
92.10710	0.4
93.03482	0.3
105.78922	0.3
107.01414	0.6
108.02153	0.3
125.02440	0.3
132.02162	0.6
135.00899	1.1
151.00380	1.8
159.04477	0.3
163.00435	0.7
167.05017	0.3
183.04431	2.1
185.06030	0.5
187.03954	0.4
188.59491	0.3
200.04878	0.4
211.04085	3.4
211.07535	0.3
227.03520	81.5
228.04054	1.6
229.04961	2.6
239.03578	0.5
249.51814	0.3
255.03008	100.0
256.03702	8.4
257.04498	0.6
284.03290	85.0
285.04056	19.5
286.04486	0.4
417.08331	69.0
418.08728	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	417.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00745	0.4
59.01385	100.0
64.45655	0.5
71.01390	4.9
73.02959	0.6
85.02966	2.3
87.77333	0.5
89.02423	4.4
92.10159	1.1
95.01351	0.7
101.02451	2.6
113.02459	4.6
121.02954	13.3
136.05292	5.3
151.04036	0.5
151.07692	5.3
161.04546	0.7
162.03178	0.8
168.04301	3.8
177.05557	0.5
179.05453	0.7
189.01955	0.9
195.06650	19.1
210.48320	0.6
216.23773	0.5
219.06657	2.8
232.29132	0.5
273.06656	0.6
375.48459	0.5
417.21429	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34361	7.7
56.28195	8.3
59.01384	100.0
61.98833	53.9
71.01392	17.5
79.35620	8.1
88.85123	7.2
89.02457	13.1
90.55165	8.1
90.91014	7.6
96.96006	42.4
99.00977	8.2
100.57451	8.1
101.02431	15.0
119.03463	8.2
124.01686	31.8
125.02431	73.4
137.02437	8.3
149.99596	43.2
150.06870	38.0
155.10800	7.5
164.08389	8.2
168.00645	88.5
168.04700	7.7
177.09142	20.1
194.09500	30.2
195.10355	62.6
200.27470	8.6
217.95642	8.2
220.05325	7.9
268.82242	9.7
305.16336	9.2
357.15552	15.6
401.11746	8.7
417.10306	87.0
417.15976	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1561
Annotation	Unknow
Peak:m/z	Relative Intensity
56.01881	0.6
59.01384	2.9
71.01391	1.0
71.94415	0.7
77.27072	0.8
84.68174	0.6
93.03466	92.9
99.06960	0.6
103.94097	0.6
106.04259	1.1
119.05025	24.8
121.02979	5.1
123.04530	1.2
133.02966	25.9
134.03754	41.1
149.06094	86.5
150.52203	0.6
255.10303	100.0
331.06476	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.8
57.03460	1.0
59.01385	100.0
66.04824	0.7
69.03462	1.0
71.01379	18.4
72.99313	0.8
73.02944	22.1
73.72192	0.7
83.01393	4.4
85.02959	4.7
89.02444	5.5
101.02444	13.5
113.02462	6.5
119.03504	1.4
125.02421	1.5
131.03516	0.9
155.03491	0.7
161.04559	1.5
193.08643	0.8
211.25529	0.8
228.32156	0.7
267.53433	0.7
373.22165	1.6
409.49728	0.7
411.26389	0.7
426.69336	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
63.40471	0.9
65.37727	0.8
72.56362	0.9
93.54719	0.9
97.59273	1.0
115.34199	0.8
121.76865	0.9
129.55568	0.9
183.62543	1.0
206.14145	0.9
348.86740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.307
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21763	1.0
54.77937	1.0
59.01383	100.0
84.50697	1.4
84.84093	1.1
108.77780	1.2
118.31721	1.2
301.53564	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83077	0.9
59.01387	100.0
87.26933	0.9
89.00862	0.7
89.68040	0.8
93.86501	0.9
95.28328	0.9
97.35578	0.8
116.92889	0.8
146.54088	0.9
148.65666	1.0
167.52898	0.9
219.07521	0.9
228.76675	0.9
244.40926	0.9
254.74564	0.8
301.24585	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22172	2.1
54.54129	2.0
57.56153	2.2
58.67768	2.6
59.01399	100.0
83.85058	2.5
92.20461	2.5
93.99471	2.2
99.14740	2.7
152.63571	2.6
154.42204	3.0
286.84659	2.7
347.10455	2.6
427.25653	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	415.1619
Annotation	2-Phenylethyl beta-primeveroside
Peak:m/z	Relative Intensity
54.82804	1.4
55.01896	1.4
55.58840	1.4
57.03465	2.0
58.00612	2.6
59.01389	85.7
61.98835	2.4
67.01604	1.3
71.01385	55.8
72.99340	1.5
73.02946	22.5
83.01384	1.5
85.02976	6.7
85.41619	1.2
86.80581	1.6
87.00912	1.6
89.02455	100.0
96.45137	1.6
96.96023	3.5
97.02968	2.7
99.00888	33.7
101.02448	27.2
112.22560	1.2
113.02424	10.4
116.42595	1.3
119.03496	6.0
121.06551	1.5
125.02481	6.7
131.03496	13.2
138.47977	1.4
149.03470	2.6
149.04576	44.5
152.99629	1.8
191.05673	9.6
192.04311	3.3
193.08655	1.6
251.07681	2.0
257.90161	1.3
355.10294	1.7
379.06219	1.5
415.16046	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39880	2.2
55.01894	15.8
57.03463	10.3
58.00607	3.0
59.01386	80.0
61.76607	2.3
61.98815	2.8
62.12435	2.1
69.03465	4.2
70.13840	2.3
71.01382	100.0
71.05029	3.3
73.02943	44.9
81.03468	2.3
83.01397	29.9
85.02953	55.6
87.00885	9.9
89.02460	4.4
91.67680	2.1
95.01392	5.7
97.02930	5.0
99.00885	10.5
101.02442	84.1
103.04014	5.0
108.02195	73.3
109.02962	64.2
113.02448	31.6
117.05572	17.3
120.05515	2.8
125.02383	3.2
152.01176	77.9
153.01973	28.2
153.37691	2.4
159.03044	5.0
161.04584	47.8
168.41263	2.7
170.28093	2.6
206.97636	2.8
269.10333	94.3
415.11642	61.3
415.16489	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82972	1.5
54.07581	1.5
57.03459	7.9
57.40455	1.3
59.01393	100.0
60.95066	1.3
61.01804	1.5
61.98851	14.7
71.01398	25.2
73.02953	26.5
77.13463	1.4
79.88160	1.7
82.95438	3.6
83.01398	8.5
85.02965	8.7
89.02458	11.6
89.05191	1.6
95.05013	2.6
97.02986	2.5
97.27666	1.5
101.02464	18.3
102.41463	1.7
106.04225	2.2
107.99701	1.6
109.02959	8.7
113.02457	8.6
113.07812	1.6
118.40940	1.5
119.03525	3.1
123.04471	6.2
125.02447	21.7
132.02164	6.1
133.02487	1.9
134.02812	1.6
134.03749	3.3
137.02443	8.3
145.02966	2.9
147.04527	14.6
148.04869	7.8
149.05009	3.5
150.24561	1.9
151.04024	2.9
159.04506	2.2
161.06044	2.5
172.95695	1.6
179.05652	2.1
191.03531	2.6
193.03984	1.8
195.45958	1.9
203.07150	7.4
205.05078	1.8
245.08214	2.2
253.08633	17.4
271.06137	3.4
289.07275	22.2
384.19183	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03464	8.5
59.01392	45.2
59.43158	1.0
59.56903	0.8
61.87104	0.9
61.87477	0.9
61.98837	4.5
70.34783	0.9
71.01398	11.3
71.05029	7.2
71.70795	1.0
73.02959	2.1
74.02454	1.2
78.95919	1.0
81.03447	1.2
83.01391	2.0
84.25629	1.1
85.02956	6.1
87.00902	1.3
89.02446	7.4
92.10771	3.8
95.01344	1.5
96.96007	1.4
101.02426	7.1
108.02187	19.3
109.02969	100.0
113.02428	2.7
117.05602	16.1
119.03516	1.2
123.00876	1.4
123.04543	12.9
149.06041	1.6
150.06898	16.1
151.07608	1.5
152.01138	15.2
152.07170	7.2
152.99588	5.0
153.01947	58.0
156.09209	1.1
159.11736	1.2
161.04477	1.4
167.03502	21.2
179.10831	8.8
193.08664	4.4
203.42914	1.1
209.18628	1.1
217.12476	1.4
297.06100	1.4
311.11539	1.2
415.12366	55.0
415.20541	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05939	0.3
57.03471	0.3
59.01384	6.7
65.46159	0.3
67.53564	0.4
69.51714	0.3
70.95450	0.3
71.01392	0.4
87.05605	0.3
96.96008	4.4
108.69639	0.4
121.02961	0.6
133.02980	0.4
133.77849	0.4
134.03746	100.0
135.04108	0.6
137.02435	4.9
139.04016	1.4
147.04611	0.5
149.06090	30.4
165.05553	0.5
178.02728	21.3
186.95430	0.4
193.05075	80.5
194.05452	0.6
223.89052	0.4
299.13092	0.3
355.10471	2.2
366.54565	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02560	1.0
55.01900	1.3
59.01394	7.1
61.98850	1.0
66.67667	1.0
67.78809	1.2
68.99580	1.2
71.01388	1.7
74.82742	0.9
89.02454	1.8
90.85401	1.1
93.03479	2.6
96.96026	7.2
99.99989	1.1
101.02464	1.5
105.07111	31.5
112.98550	1.9
114.93439	1.5
119.05045	4.6
137.02505	5.3
149.00903	2.8
149.06093	22.5
149.63466	1.1
156.99321	1.2
163.04036	2.2
177.81534	1.2
193.05083	100.0
205.08798	2.0
242.17764	1.1
250.59709	1.1
355.10428	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	415.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.2
57.24898	0.1
59.01388	0.5
60.57878	0.1
67.50790	0.1
71.01388	2.3
73.02966	0.6
75.09259	0.1
83.01424	0.2
85.02965	1.4
85.95763	0.1
86.30294	0.1
91.12171	0.1
92.10176	0.1
93.03462	0.6
95.01436	0.2
101.02443	1.0
106.04257	13.1
108.02185	2.8
109.02969	1.8
113.02481	0.8
117.03477	1.2
119.05025	0.3
121.02948	1.7
122.03749	1.7
132.02165	0.6
133.03001	0.5
138.03246	0.7
143.05087	0.2
145.02956	0.1
146.03757	1.8
147.04549	4.0
148.01685	0.2
149.02470	1.4
159.02982	0.2
159.04552	0.2
161.04568	1.3
209.09782	0.1
211.07715	0.3
238.06285	1.1
251.07112	0.2
253.08748	100.0
254.09131	1.7
271.09650	0.2
415.13956	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03590	0.5
59.01385	100.0
60.35458	0.5
62.69097	0.5
73.66917	0.5
201.22197	0.6
221.41858	0.5
307.20520	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83324	3.6
55.40815	2.3
55.47947	2.3
59.01386	100.0
59.37032	2.0
61.98851	6.3
72.83051	2.3
74.91293	2.5
85.47387	2.5
87.82007	2.7
88.88238	2.5
92.10062	6.2
108.19332	2.6
122.31325	3.0
184.30569	3.0
219.58864	3.1
403.08884	2.7
438.79086	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	415.1255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82641	1.1
56.97523	0.9
57.03451	1.2
59.01385	36.6
63.26858	0.8
65.83169	1.0
67.28991	0.9
69.03461	5.4
71.01377	5.0
72.69380	0.8
73.02943	1.1
81.03449	1.0
83.01386	2.0
85.02956	4.6
89.02433	1.6
89.04289	1.0
97.02945	6.2
101.02438	2.4
101.06081	4.2
107.01431	1.7
109.02953	1.8
113.02477	1.6
123.00888	9.9
124.01663	30.9
125.02448	96.1
137.02440	3.8
147.04538	1.8
149.99593	57.1
151.00348	3.5
151.03958	1.3
159.04517	1.2
168.00650	80.1
169.01384	5.1
175.03990	1.3
207.06850	1.5
313.05704	1.4
397.11493	5.5
415.12531	100.0
416.13071	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82442	1.3
56.31522	1.5
59.01383	14.0
60.24839	1.7
71.01395	2.5
76.58438	1.7
77.02306	1.6
96.96014	11.3
119.04997	2.3
123.04522	2.5
134.02721	3.2
134.03749	100.0
137.02457	3.3
147.04453	1.6
149.06085	34.2
150.03281	2.0
163.03972	3.3
178.02739	22.6
179.03506	2.0
184.75302	1.6
193.05092	87.9
204.44511	1.9
253.59273	1.8
395.98819	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
52.24906	0.8
55.01877	7.8
57.03437	3.9
59.01114	1.6
59.01386	38.7
61.47339	0.8
61.73430	0.8
61.98821	3.5
64.52096	0.9
66.27007	0.7
69.03455	2.1
71.01382	49.0
71.01771	1.8
71.05007	9.5
71.21404	0.7
72.99284	1.9
73.02947	21.9
81.03431	1.3
83.01387	17.4
85.02959	32.2
87.00878	1.5
88.69375	1.0
89.02424	3.7
89.18644	0.9
89.44681	0.9
95.01382	5.3
97.02907	1.4
99.00906	8.7
101.01791	1.7
101.02438	38.8
108.02180	100.0
109.02962	75.4
113.02441	17.0
117.05576	24.4
118.98038	0.9
121.02957	1.6
123.00854	1.7
125.02409	3.7
135.00766	1.0
137.02382	1.3
143.03529	1.6
152.01169	88.8
153.01947	32.4
159.02951	1.8
161.04564	18.5
163.04021	0.9
165.01962	1.1
198.95114	1.0
247.08179	1.4
269.10345	42.7
297.06021	2.0
415.12274	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95277	0.6
58.41962	0.6
58.68641	0.7
59.01385	15.6
61.06902	0.6
61.98849	0.8
66.84483	0.7
70.91003	0.6
77.91253	0.6
79.76238	0.6
129.56873	0.7
135.08244	0.7
147.08160	0.7
149.93396	0.6
163.07661	30.8
168.76753	0.6
171.63390	0.8
176.04803	15.6
176.06285	1.0
178.40857	0.7
181.22501	0.7
189.05582	1.2
190.06384	13.9
191.07167	100.0
192.07732	1.1
207.10406	1.0
250.31454	0.7
274.04105	0.7
340.85291	0.8
353.12534	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	413.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76508	0.4
55.01886	1.3
57.03462	1.0
59.01383	43.3
65.02738	0.6
68.15463	0.5
71.01379	15.8
73.02953	8.9
78.95898	0.7
79.95732	1.1
82.95430	0.9
83.01400	6.8
83.01791	0.5
85.02949	10.3
85.03387	0.7
87.00907	0.6
89.02457	3.7
95.01421	0.6
96.96012	100.0
98.95655	0.9
99.00896	3.6
101.02444	24.2
108.02200	4.0
109.02986	3.1
113.02445	7.9
119.03492	0.7
125.02471	1.1
126.16512	0.6
152.01166	2.9
153.01918	5.1
156.27019	0.5
161.04578	4.9
184.91158	0.7
207.08760	35.6
226.03645	0.7
315.07224	6.5
353.14594	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	413.1095
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	31.3
74.35833	0.3
80.75948	0.3
82.95424	3.5
104.02678	4.6
148.01695	10.1
157.31628	0.4
176.01164	100.0
191.03526	90.3
204.84529	0.4
274.80927	0.4
435.50671	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	36.3
61.98839	0.5
65.48864	0.3
71.01382	2.1
83.01427	0.4
85.02983	0.6
89.02457	1.7
92.10697	0.4
96.96040	0.6
99.00874	0.3
101.02460	1.6
102.76045	0.3
104.02702	6.1
113.02446	0.5
114.06810	0.3
115.07703	0.4
116.92857	0.3
119.03472	0.6
119.05051	0.3
119.53366	0.3
122.72054	0.3
139.85698	0.3
145.03029	0.4
147.04607	0.3
148.01695	11.1
154.66968	0.3
161.04608	0.4
175.38951	0.3
176.01164	100.0
177.01630	0.5
189.01935	0.3
191.03529	88.1
191.12889	1.7
235.12019	0.4
353.18292	2.2
363.05807	0.3
367.16226	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	413.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63139	0.4
54.76439	0.4
56.66932	0.3
57.03458	0.7
59.01387	2.6
59.86484	0.3
67.07661	0.4
67.54452	0.4
71.01396	1.6
72.99270	0.4
73.02946	57.7
78.95906	1.0
85.02967	0.8
87.00874	0.8
96.96011	10.2
96.96970	0.5
99.00886	7.7
99.04511	1.0
101.02428	0.8
108.02205	0.6
113.02433	0.6
114.02022	0.5
116.92865	2.3
117.01941	100.0
125.02456	2.0
125.77551	0.5
133.05063	2.6
143.50664	0.4
147.03021	0.8
149.55159	0.4
161.04565	0.9
169.01416	2.2
177.01949	0.4
177.82190	0.4
201.44688	0.4
204.25175	0.4
211.28542	0.4
263.55316	0.4
265.09314	0.9
292.10272	0.5
315.07156	0.5
328.88727	0.6
331.06744	1.0
413.02411	0.5
415.81088	0.6
425.57104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21261	2.2
59.01382	32.2
61.98844	6.2
71.01411	3.7
78.95913	25.7
89.02483	3.9
93.35097	3.2
94.82977	3.1
105.69814	3.2
110.00124	3.3
123.00889	3.6
125.02480	5.3
135.08206	3.4
136.01683	6.0
137.02437	5.5
137.99608	5.9
139.00374	16.7
149.06090	39.1
152.01187	20.7
152.99606	30.6
153.01970	38.0
154.02734	4.9
163.07719	5.5
164.01118	4.0
165.01921	14.8
167.07120	7.4
177.99074	5.1
178.99825	6.3
179.07146	44.8
180.00627	7.3
191.07156	15.9
192.00635	17.4
192.37439	3.5
193.01448	20.2
206.02231	7.2
207.03105	6.7
207.06644	93.6
208.04034	3.5
208.07419	50.6
218.05962	4.6
221.08199	4.0
222.09003	4.2
223.09801	12.8
233.08240	13.1
235.06143	100.0
236.06914	16.0
250.08530	69.5
251.09256	54.6
261.07556	3.3
305.23737	2.9
381.13123	4.8
413.14618	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0886
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	1.2
57.03453	17.3
59.01390	7.5
69.03454	12.4
71.01377	2.3
71.49110	1.3
75.82586	1.2
78.95905	1.2
81.03462	5.9
82.15006	1.2
83.01410	8.1
93.03461	2.1
95.01385	2.0
97.02952	33.6
108.02205	1.9
109.02953	9.6
111.00888	2.4
119.05048	2.6
121.02964	5.1
123.04531	7.8
125.02446	100.0
131.05005	1.5
135.04501	5.3
137.02457	15.6
141.01936	17.2
145.02971	29.0
145.06575	2.3
146.03761	9.8
147.04527	5.9
149.02492	13.0
149.12407	1.3
158.03697	2.6
159.04530	17.3
161.02446	2.3
161.06094	12.2
164.01141	1.7
165.05513	5.3
174.03210	1.4
177.05554	3.0
183.04478	3.1
185.06076	7.0
187.03995	13.0
189.05634	1.6
201.05632	2.7
203.07175	8.2
209.06085	1.6
211.03981	1.8
221.04361	1.4
222.27356	1.2
225.05582	2.2
227.07143	3.0
229.05057	2.5
245.04533	2.5
245.30429	1.4
253.05093	10.7
263.05640	43.8
271.06158	37.5
289.07242	1.7
327.08331	2.4
351.08768	1.7
369.09854	7.0
395.07724	2.1
413.08990	2.4
413.14532	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	413.0494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82623	0.3
55.28033	0.3
59.01380	0.8
61.80549	0.4
71.01384	3.1
73.02957	0.8
78.95912	1.8
81.03447	0.5
83.01385	0.7
85.02956	2.4
89.02489	0.7
93.03466	0.6
95.01379	1.8
96.96009	2.8
96.96963	2.1
101.02437	2.1
108.02179	94.4
109.02958	31.3
113.02425	0.9
121.02909	0.9
135.04497	0.6
151.04060	1.7
152.01161	77.7
153.01952	25.9
163.02545	0.8
163.03970	2.1
165.01918	2.8
175.03952	0.5
233.84158	0.5
247.92787	0.5
278.87234	1.0
315.07278	100.0
316.07559	2.0
385.65771	0.5
413.08972	0.8
424.03891	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19699	0.2
52.00788	0.2
58.82312	0.2
59.01384	1.4
61.01026	1.2
61.98835	0.5
65.76953	0.3
71.01402	0.5
72.55882	0.2
78.95903	6.4
79.95746	1.8
85.02966	1.4
88.94725	0.3
96.96019	100.0
96.96920	8.9
106.49355	0.3
108.62936	0.4
109.02970	1.6
115.52672	0.3
123.04538	1.7
131.01640	0.4
131.05051	0.7
131.15141	0.3
132.98145	0.5
133.80495	0.3
135.04561	2.1
149.06070	1.3
153.05586	1.9
155.90259	0.3
159.04533	1.3
173.02579	0.6
189.05569	1.3
191.03670	1.5
203.03571	2.7
207.06651	1.2
213.91364	0.3
221.01315	2.2
239.02136	0.3
251.02377	0.5
251.99236	0.3
292.99829	2.8
300.95685	0.4
315.10925	0.5
353.01962	0.6
413.08853	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	411.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35738	0.3
50.93264	0.4
59.01388	100.0
78.22983	0.4
116.92871	0.9
120.31615	0.5
130.99077	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.2755
Annotation	Unknow
Peak:m/z	Relative Intensity
56.07380	0.2
59.01387	100.0
65.92970	0.2
100.52647	0.2
107.93495	0.2
119.66434	0.2
126.93116	0.2
145.18878	0.2
194.65204	0.2
200.79761	0.2
203.22322	0.2
266.24347	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.0396
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81584	0.2
59.01375	1.1
71.01387	0.3
79.95737	1.5
85.02973	0.3
88.13414	0.3
89.35295	0.2
95.09055	0.3
95.15583	0.3
96.96004	100.0
100.99742	0.2
101.02453	0.4
108.02180	15.4
109.02971	5.4
110.98469	0.2
130.44420	0.3
151.99937	0.5
152.01155	13.7
153.01930	4.9
161.60051	0.3
185.44283	0.3
207.08826	0.4
231.13811	0.3
315.07278	18.6
353.15002	0.3
380.89572	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1668
Annotation	Pteroside S
Peak:m/z	Relative Intensity
52.87759	0.9
54.15041	0.8
55.01896	1.7
57.03473	1.0
59.01392	95.8
69.65372	1.1
71.01390	39.7
72.99312	2.1
73.02933	1.4
83.01403	1.1
85.02964	10.3
85.03391	1.0
89.02446	34.8
97.48908	1.1
101.02451	24.0
113.02464	14.6
119.03524	11.0
119.97372	1.1
125.02524	1.2
134.03740	1.7
141.26765	1.2
148.05373	2.8
191.02391	1.1
203.10811	20.9
213.01714	1.5
231.10324	12.0
375.16797	1.7
383.17291	2.7
411.16669	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.203
Annotation	3beta-Acetoxy-14-n-butyryloxy-10-deoxyfloridanolide
Peak:m/z	Relative Intensity
51.30649	2.6
51.52483	2.6
51.76748	2.5
55.01907	3.9
57.03468	3.6
59.01385	100.0
59.01648	4.7
61.98845	3.7
71.01376	43.6
72.03497	2.7
73.02968	7.2
83.01413	4.4
85.02946	25.3
89.02438	26.8
92.10775	5.8
94.61840	2.6
95.01396	2.9
101.02442	26.6
110.45814	3.1
113.02462	16.5
119.03515	7.4
134.03778	12.9
137.09698	24.5
161.04555	3.8
179.05659	4.1
223.99570	3.5
233.19144	3.1
235.53818	3.1
314.09988	3.6
351.18054	4.6
367.21124	4.3
369.19098	12.9
411.19958	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	411.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01378	22.6
71.60896	1.6
73.02940	23.4
83.01397	10.2
85.02975	6.9
89.02453	8.9
101.02454	19.0
111.02662	1.7
113.02460	11.9
119.03441	2.0
134.03789	2.4
137.09746	10.7
143.03456	2.0
151.11302	2.1
152.04582	1.8
161.04558	2.7
241.08704	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	411.1668
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66926	1.3
59.01388	100.0
59.82118	1.4
63.18338	1.2
63.63683	1.2
71.01385	45.3
71.01775	1.8
72.99335	1.7
73.02955	1.4
77.80891	1.3
83.01424	2.4
83.05006	1.4
85.02959	10.7
87.00879	2.7
89.02451	59.6
92.10813	3.0
95.01387	2.8
97.06583	3.6
101.02451	23.0
105.21667	1.4
107.28557	1.4
108.02186	11.9
109.02982	1.9
113.02440	14.8
119.03509	22.9
129.13429	1.4
131.03490	1.5
134.03751	62.8
135.04552	2.8
140.58270	1.7
143.03479	1.8
150.03207	2.2
151.04001	9.0
152.01154	6.5
153.01942	1.8
153.28673	1.4
161.04546	3.2
166.71799	1.4
179.05675	20.5
249.15044	3.6
313.09241	2.1
314.10193	13.7
388.11591	1.5
411.12704	2.4
436.05627	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	411.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21396	0.6
55.01897	1.3
57.03449	1.5
58.00601	1.3
59.01387	96.9
71.01000	1.8
71.01389	38.7
71.01776	1.4
72.99309	1.6
73.02962	0.9
83.01414	1.8
85.02963	12.0
89.02451	34.3
95.01402	3.7
97.06583	0.8
101.02454	19.7
113.02457	11.3
114.83628	0.7
119.03515	11.5
134.03706	1.3
146.03735	3.0
147.04559	1.4
151.07690	0.9
158.03819	1.3
159.04538	6.5
161.03561	4.1
163.53712	0.7
172.05338	4.0
173.06059	12.7
175.07710	1.3
187.04016	5.5
187.07654	36.0
189.05659	1.0
201.05621	12.0
202.06390	51.0
203.10808	1.1
213.09235	0.9
216.07976	3.7
231.10294	49.2
232.33609	0.9
349.93683	0.8
382.12711	1.2
411.16663	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73644	2.2
56.94130	2.2
59.01395	100.0
61.84013	2.4
71.01392	44.8
85.02972	4.6
89.02451	55.8
101.02440	25.8
109.02983	5.6
113.02445	22.2
116.48508	3.2
119.03499	24.3
134.03758	63.9
141.00154	2.7
150.03314	2.8
151.04128	4.5
153.01936	3.4
179.05583	22.9
314.10141	12.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.14407	2.4
70.65142	3.3
71.01382	49.7
72.99316	3.3
83.01377	3.8
84.38567	2.5
85.02989	4.9
89.02437	50.5
101.02459	17.6
113.01738	3.8
113.02470	19.7
119.03520	27.6
134.03769	41.6
135.04663	3.2
151.04050	6.0
161.13397	3.5
179.05685	6.4
187.11372	3.3
202.83183	3.1
205.12413	19.0
206.41081	3.1
229.12343	3.6
249.11311	7.1
285.90283	3.6
314.10159	14.4
414.82877	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	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	1.1
55.30402	0.5
57.03458	1.1
59.01384	100.0
61.98832	1.4
71.01380	23.1
72.99310	1.5
73.02934	5.8
73.03307	0.5
78.12049	0.6
81.96388	0.6
83.01408	2.8
85.02955	7.8
87.00887	1.5
87.04546	0.8
88.98823	0.9
89.02447	15.2
92.10134	0.7
93.03459	0.7
95.01382	2.4
96.96004	19.1
99.00890	2.8
101.02432	16.1
111.80655	0.6
113.02453	10.1
116.92850	1.0
119.03486	5.7
119.87657	0.6
121.02943	2.5
122.03741	4.0
133.02983	0.7
135.04517	3.4
136.01692	0.8
143.03523	1.0
149.00931	3.8
149.02449	9.0
150.03229	34.0
159.02992	1.0
159.04469	1.0
161.04562	12.2
164.04784	0.8
165.01904	0.7
165.05568	34.6
179.03542	2.6
179.05634	2.7
180.00731	0.8
180.04311	2.4
187.09799	8.6
187.13391	1.0
195.03069	0.9
195.06638	9.9
240.23546	0.7
286.08429	0.9
349.14996	3.4
349.18759	32.4
361.12894	1.3
373.11383	3.8
376.45300	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16346	0.6
55.51215	0.6
56.29174	0.5
59.01383	100.0
61.98828	0.8
71.01374	11.8
71.13493	0.6
73.02930	5.1
85.02961	4.0
87.00898	1.3
89.02441	18.0
95.01402	0.8
96.96027	1.3
97.06581	0.9
101.02438	7.9
104.88323	0.7
109.02995	1.4
113.02435	7.3
115.00362	1.4
119.03499	5.5
129.09203	1.1
133.01437	0.8
134.03709	0.7
135.04501	0.7
139.07672	0.9
159.10236	5.5
160.88263	0.6
161.04562	3.1
177.09232	0.8
179.05640	7.9
180.07056	0.7
184.02391	0.6
247.02414	0.9
249.11276	1.0
349.19077	5.1
349.25998	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	409.2368
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09016	0.4
59.01394	0.9
62.80169	0.4
63.60448	0.4
67.17126	0.4
75.49345	0.4
78.95908	83.5
87.92313	0.4
96.96963	8.0
122.76052	0.5
150.98022	2.4
152.99608	100.0
171.00697	1.0
196.73735	0.5
215.56351	0.5
255.23306	3.1
356.28964	0.5
365.19946	0.5
409.23627	16.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2364
Annotation	1-Palmitoyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
52.01704	0.6
55.08004	0.5
59.01391	1.5
78.95907	70.2
96.96982	7.1
108.37477	0.7
118.97680	0.7
150.98029	1.2
152.99599	100.0
158.88631	0.7
171.00716	2.7
409.23688	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	409.2083
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34050	0.4
54.22143	0.4
57.03463	0.6
59.01384	100.0
61.98832	0.8
71.01379	13.9
72.99315	0.7
73.02943	1.0
78.91891	0.7
83.01379	0.7
84.95113	2.0
85.02937	4.6
87.00871	2.5
88.98782	0.6
89.02440	13.5
95.01356	0.9
96.96005	41.7
99.00883	2.0
101.02444	9.6
103.00446	0.7
113.02471	5.9
116.92860	2.0
119.03500	5.1
134.03735	0.7
135.04521	7.1
142.24805	0.4
143.03491	0.7
149.00917	5.2
149.06172	0.5
159.03050	0.6
161.04570	6.7
178.05063	0.6
179.03473	5.7
179.05594	2.7
193.05064	0.6
248.97188	0.6
311.04263	1.1
329.11343	0.7
331.14139	1.0
349.14944	1.2
349.18707	18.5
373.12030	0.6
377.62018	0.6
393.17764	3.3
409.20932	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2082
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55683	0.4
51.49378	0.4
59.01384	100.0
71.01380	12.0
72.99323	2.5
73.02971	1.3
78.95922	0.7
79.95745	1.1
83.01403	1.1
84.95136	1.0
85.02946	4.1
87.00899	3.3
88.98838	1.0
89.02448	11.2
90.37556	0.5
92.92719	0.5
95.01411	1.0
96.96006	91.4
101.02433	10.7
101.03014	0.7
108.02194	1.0
113.02460	6.1
116.92858	0.7
117.03487	0.9
119.03500	6.0
135.04524	11.4
143.03499	0.7
149.00912	15.0
150.03241	2.1
150.73459	0.5
161.04521	6.3
165.05583	0.7
172.96774	2.2
178.02748	5.6
179.03517	11.5
179.05647	2.1
189.05545	1.0
193.05089	9.8
234.99298	1.3
248.97264	0.8
277.00375	0.7
297.36621	0.6
311.04123	2.1
349.15076	2.0
349.18774	22.6
373.11417	3.3
393.17819	1.2
425.16858	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2086
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04163	0.6
51.79158	0.5
55.01884	0.6
59.01384	100.0
63.28440	0.6
64.80204	0.7
71.01376	18.4
73.02953	2.5
76.00803	0.6
83.01402	1.1
85.02950	6.2
89.02435	20.0
92.10781	0.9
94.21632	0.7
96.96009	3.3
101.02435	11.4
106.25004	0.6
113.02444	7.8
116.92898	1.1
119.03499	8.6
121.03008	0.6
143.03465	1.2
144.14899	0.7
149.00923	1.2
155.25482	0.7
161.04565	5.2
179.05606	4.3
187.13379	2.6
189.86803	0.7
240.55409	0.7
305.15997	0.9
349.18756	29.7
409.20572	1.0
418.44824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	11.7
80.41254	7.6
92.10786	17.0
95.05038	12.2
95.97054	7.9
112.80308	9.4
139.04004	100.0
157.51407	9.2
169.22163	8.1
324.18021	8.2
360.78662	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	409.0075
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37619	0.2
55.92352	0.2
59.01387	2.1
61.01342	0.2
72.99321	2.0
75.00885	0.5
79.95738	0.7
85.02968	2.8
87.00881	4.8
91.15279	0.3
92.10810	0.6
93.81970	0.3
96.96010	100.0
99.10892	0.3
101.29430	0.3
103.00364	1.2
104.16697	0.3
107.05016	0.3
116.92845	0.7
129.01906	1.6
133.02934	0.3
134.03748	0.7
135.04526	17.7
142.88466	0.4
149.00923	23.3
179.03500	17.0
184.58595	0.3
187.06082	0.4
192.32010	0.3
234.99161	0.6
248.97134	0.4
271.22110	0.4
311.04083	3.4
389.65051	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56601	0.7
59.01386	4.3
64.97940	0.9
72.99303	5.4
76.87637	0.7
79.95744	0.9
80.00127	0.7
87.00874	16.2
96.96009	39.5
103.00391	1.7
107.05013	1.3
130.99942	1.3
134.03728	6.7
135.04526	100.0
149.00925	75.9
179.03510	96.6
233.41727	0.7
280.22229	0.8
311.04150	11.9
434.11227	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	27.0
62.32162	0.3
71.01388	6.4
72.99315	2.3
73.02960	0.4
75.00859	0.8
78.95911	0.5
79.95742	1.6
83.01419	0.6
85.02979	2.7
87.00882	3.4
89.02454	7.1
90.36561	0.3
95.01418	0.8
96.96012	100.0
98.95609	0.5
101.02444	4.9
103.00346	0.5
108.02207	3.0
108.02815	0.3
109.02959	0.3
111.00939	0.5
111.87128	0.3
113.02483	2.6
113.03132	0.4
116.92855	1.6
119.03507	2.6
121.03017	0.4
122.03727	0.7
123.00877	2.0
123.04494	2.9
124.01672	0.7
133.02963	1.6
135.04535	10.3
136.01683	0.6
137.06041	0.6
149.00920	11.2
149.02434	4.5
150.03246	8.9
151.04095	0.4
161.04565	1.4
164.04797	0.5
165.05571	6.9
176.84711	0.4
177.02037	0.5
178.02733	21.4
179.03532	8.6
179.05536	0.6
189.05643	1.4
193.05087	32.8
195.06612	0.6
196.43358	0.3
207.75104	0.4
214.63849	0.4
234.99278	1.6
246.66547	0.4
248.97226	0.5
261.00916	0.7
277.00134	0.7
301.10864	0.6
311.04272	0.6
319.40106	0.4
331.14084	1.3
349.15057	1.6
349.18765	1.9
361.12970	1.3
373.11502	9.6
391.20245	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83241	0.7
57.03463	6.5
59.01387	100.0
62.69525	0.7
71.01369	0.8
72.96509	0.7
72.99308	5.7
73.48426	0.9
87.00885	6.7
92.10880	1.6
99.27713	0.9
101.02394	1.0
103.00369	1.2
103.57346	0.7
106.81169	0.8
112.94055	0.7
113.02437	1.1
125.09721	0.8
149.00926	26.6
173.06042	0.8
185.11855	37.5
187.07587	6.4
202.06339	0.9
209.11795	1.5
219.24120	0.8
231.10217	3.6
254.68289	0.8
272.25156	0.8
275.09235	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	407.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87407	0.5
59.01389	20.0
71.01393	2.9
72.99307	19.8
72.99683	1.0
73.02946	2.3
75.00874	0.8
85.02959	0.7
87.00874	33.8
89.02448	1.3
92.10773	0.9
101.02421	1.3
103.00367	7.4
105.01985	2.6
107.92033	0.6
112.98880	0.7
113.02408	0.7
124.61242	0.6
130.99866	1.4
131.05020	0.7
133.02960	0.9
134.03734	0.8
149.00920	100.0
159.04532	2.7
163.06093	1.1
166.51425	0.5
172.05301	0.9
173.06174	0.9
174.03218	3.9
184.05235	0.9
184.87498	0.5
185.06023	0.6
185.11868	0.6
187.04041	4.8
187.07666	7.7
189.60773	0.6
197.06068	6.1
200.04767	0.9
201.05620	1.0
202.06410	2.4
205.07187	0.6
210.35983	0.6
213.09233	23.1
215.07172	4.8
216.07895	0.7
231.10262	27.3
257.08191	9.3
275.09265	8.7
277.05966	0.6
289.78510	0.6
406.03662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.0987
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46528	0.4
51.82141	0.5
52.05642	0.5
57.13141	0.5
59.01383	11.8
62.03070	0.6
72.99304	17.6
75.00879	0.7
81.05815	0.5
87.00875	29.8
92.10803	1.7
103.00385	5.9
103.56258	0.7
104.74578	0.6
105.01975	1.0
111.26256	0.6
130.99861	1.4
134.83759	0.6
147.72195	0.6
149.00926	100.0
159.04541	1.0
172.05341	3.2
173.06065	2.1
187.04053	0.9
187.07663	29.6
201.05606	3.4
202.06357	8.1
203.10875	0.8
213.09210	4.3
215.07182	0.9
220.44022	0.6
231.10306	13.6
275.09308	13.6
395.38116	0.6
407.09570	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30142	0.4
55.01883	0.5
57.03459	0.8
58.00598	0.6
59.01387	100.0
60.01710	0.5
61.49296	0.5
61.98838	5.6
62.22900	0.4
64.35307	0.5
71.01389	16.1
72.99317	1.2
73.02945	3.1
75.20351	0.5
83.01407	2.4
83.05076	0.7
85.02966	4.7
87.00885	5.2
88.98822	0.7
89.02449	8.2
92.10760	0.6
92.80588	0.5
95.01398	1.2
96.95996	1.1
99.00928	0.8
101.02450	9.2
112.98814	2.1
113.02463	7.5
119.03499	2.6
123.04529	0.9
133.01492	0.6
133.02919	0.5
134.03738	0.9
135.04567	0.8
143.03520	0.6
146.03732	1.0
149.00943	1.9
149.06050	0.6
151.04126	0.9
153.02000	0.9
157.86681	0.5
158.03751	5.0
159.03127	1.0
159.04503	10.2
161.04579	10.2
172.05338	1.2
173.06067	6.3
174.06839	1.2
175.07672	1.2
179.05595	2.5
184.05321	0.6
185.08253	0.6
185.11853	1.0
187.04012	3.1
187.07663	20.8
192.00618	0.7
200.04834	0.7
201.05548	2.9
202.06313	5.6
203.10783	5.7
213.09277	1.0
215.07152	0.6
231.10339	7.4
255.03027	0.8
275.09277	44.0
276.09677	0.6
283.02444	0.9
284.03125	1.1
285.03967	0.9
347.13055	0.8
347.17163	11.9
407.19171	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03462	11.9
58.00606	3.5
59.01388	100.0
71.01383	51.2
71.01776	1.8
72.99317	3.8
73.02956	2.1
81.03443	0.8
83.01384	3.8
83.05057	0.9
85.02958	14.6
87.00879	2.0
89.02451	51.8
89.03006	1.7
95.01385	4.7
99.00864	1.1
101.02444	22.2
112.05315	3.7
113.02463	17.2
119.03516	18.8
123.04516	4.6
125.02431	1.4
131.03500	0.9
134.07368	5.7
135.08142	6.5
137.09760	3.2
139.07639	7.1
143.03532	1.4
149.09740	45.0
152.74661	0.9
153.09219	26.4
156.07236	0.9
161.04561	4.5
167.03516	15.9
167.10800	52.6
179.05605	5.6
196.31975	0.9
207.13884	1.1
209.11888	1.2
225.14919	4.3
243.16054	11.0
329.09128	1.7
345.15854	1.3
399.89194	0.9
405.17078	1.5
405.21606	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	405.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18602	1.4
53.41882	1.4
70.41824	1.6
97.85951	1.8
106.89520	1.9
135.52165	1.9
198.73074	1.8
224.28545	1.8
375.17587	7.6
390.19968	29.5
405.22263	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	406.0609
Annotation	Scolopendrine
Peak:m/z	Relative Intensity
50.66034	0.5
57.30858	0.5
59.01387	8.8
61.98837	5.9
62.82114	0.5
71.01410	1.3
72.00923	3.4
75.09027	0.5
76.59766	0.6
79.95734	7.3
87.00864	1.2
93.03445	1.1
96.95984	0.9
100.00413	11.1
107.05045	6.0
113.02470	0.6
117.03454	8.2
119.05029	100.0
125.02441	0.9
127.06952	0.6
134.06114	9.2
135.04538	0.8
136.07701	0.7
145.02974	51.6
149.00961	4.4
149.15218	0.7
162.05670	2.5
163.04028	25.7
174.05629	1.0
176.07195	0.7
180.06635	5.7
183.10329	0.9
200.04597	0.7
206.04614	27.3
214.01834	5.1
220.06297	0.7
275.09509	0.9
282.11371	17.5
290.13089	0.6
326.10446	13.4
362.07108	1.5
377.49722	0.8
406.06110	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.1
57.03462	11.9
58.00606	3.5
59.01388	100.0
71.01383	51.2
71.01776	1.8
72.99317	3.8
73.02956	2.1
81.03443	0.8
83.01384	3.8
83.05057	0.9
85.02958	14.6
87.00879	2.0
89.02451	51.8
89.03006	1.7
95.01385	4.7
99.00864	1.1
101.02444	22.2
112.05315	3.7
113.02463	17.2
119.03516	18.8
123.04516	4.6
125.02431	1.4
131.03500	0.9
134.07368	5.7
135.08142	6.5
137.09760	3.2
139.07639	7.1
143.03532	1.4
149.09740	45.0
152.74661	0.9
153.09219	26.4
156.07236	0.9
161.04561	4.5
167.03516	15.9
167.10800	52.6
179.05605	5.6
196.31975	0.9
207.13884	1.1
209.11888	1.2
225.14919	4.3
243.16054	11.0
329.09128	1.7
345.15854	1.3
399.89194	0.9
405.17078	1.5
405.21606	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	405.2141
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45067	0.6
55.01905	1.8
57.03477	5.0
57.14318	0.7
58.00629	1.2
59.01395	100.0
61.98870	1.1
70.34406	0.7
71.01396	33.5
71.01762	1.2
72.99326	3.1
73.02966	7.6
75.00877	0.8
76.58264	0.7
79.69915	0.7
83.01423	5.3
85.02977	14.8
87.00889	1.8
87.04610	0.8
88.98855	1.3
89.02463	21.8
89.02996	0.8
92.10057	0.8
95.01424	1.3
99.00890	1.5
101.02449	21.3
113.02457	15.5
119.03516	10.9
125.02467	1.4
126.20919	0.7
134.07460	1.0
143.03528	1.0
149.09750	11.7
152.01183	1.0
161.04581	8.5
167.03577	1.0
167.10802	13.8
179.05624	3.5
183.06689	1.4
183.10295	35.0
188.38965	0.7
197.11935	1.4
225.11264	1.0
225.15047	1.1
243.16042	1.0
259.08206	8.4
342.33066	1.0
345.15628	1.4
405.17630	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	405.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
56.23730	0.3
59.01382	58.9
65.19218	0.3
71.01375	3.0
72.99323	1.3
79.86735	0.3
85.02966	2.1
89.02444	2.2
95.01379	0.5
99.04523	0.5
101.02432	2.5
113.02447	3.6
119.03491	2.5
119.05016	1.9
120.70473	0.3
121.02910	0.4
137.09685	0.5
139.11330	0.5
145.02948	0.7
149.00935	0.8
153.61546	0.4
161.04584	1.9
165.09187	0.8
181.08670	0.4
183.10265	100.0
197.11842	9.2
198.06935	0.9
199.07626	2.6
220.72282	0.4
225.11337	5.2
229.08694	0.4
245.64958	0.3
255.12459	0.7
255.57285	0.4
345.15561	6.1
405.12262	0.4
405.17731	2.0
406.06100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1769
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30013	0.6
52.03071	0.5
57.03454	2.7
59.01385	100.0
61.56762	0.6
64.05779	0.6
69.03473	4.3
71.01384	7.1
71.05031	0.9
74.46380	0.6
81.76457	0.7
82.18683	0.6
85.02962	0.7
85.87426	0.5
87.00890	4.4
89.02449	2.6
92.10776	1.3
95.01397	0.7
97.02958	1.2
101.02454	1.0
108.02156	0.7
109.02959	5.7
111.08144	0.7
113.02473	1.2
119.03482	0.7
123.04535	4.6
125.02418	11.6
133.05072	18.8
135.68359	0.6
135.69495	0.7
137.02481	3.0
139.11295	6.7
145.02962	3.0
149.00909	1.5
149.02492	0.9
151.04005	2.7
159.04529	1.4
161.06145	1.0
164.01045	0.7
165.01939	0.8
166.80104	0.7
167.03381	0.7
172.05339	1.4
179.03508	1.1
183.10291	46.2
185.06105	1.3
186.06844	3.4
186.59300	0.6
187.04007	1.2
188.04834	0.9
193.04987	0.7
199.04079	0.7
200.04718	2.0
201.09212	4.2
203.07133	3.0
205.05109	0.7
211.06033	0.9
211.07878	0.8
214.06500	0.8
225.11310	1.3
229.08690	7.4
245.08270	4.7
253.04968	0.7
270.53549	0.7
271.06076	2.8
289.07233	15.5
341.17664	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90342	0.6
57.26295	0.6
59.01387	100.0
64.34692	0.7
71.01395	1.3
80.66525	0.9
84.54995	0.9
89.65730	0.7
92.10808	1.8
92.20112	0.8
101.55674	0.8
113.02457	0.9
139.11311	8.2
149.00890	1.0
156.91560	0.9
164.41167	0.8
172.05399	1.0
183.10283	61.4
186.06819	1.1
200.04868	1.1
201.09312	1.1
207.10258	0.9
229.08643	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27945	0.4
52.06627	0.4
59.01385	100.0
59.92638	0.4
60.99323	2.5
61.98854	0.5
64.34738	0.5
65.11457	0.5
70.66608	0.6
71.01379	4.4
72.80224	0.5
72.99332	3.5
78.95897	0.7
85.02969	1.2
88.98811	14.9
89.02467	4.7
96.96006	4.9
97.77979	0.5
100.58778	0.6
101.01849	0.5
101.02474	2.5
112.88798	0.5
117.90109	0.6
119.03509	0.9
123.04596	1.9
153.01959	3.4
153.05554	1.0
168.04253	3.9
183.06627	17.2
197.04601	0.6
235.35358	0.5
247.71187	0.5
329.08911	2.5
387.54938	0.7
405.21719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
58.03851	0.6
59.01384	100.0
71.01381	10.8
84.97092	0.7
85.02938	1.3
89.02451	6.1
90.68842	0.6
95.01437	0.7
101.02448	3.7
113.02426	5.4
119.03484	1.2
143.08821	0.7
145.48741	0.9
153.00696	0.9
153.01930	23.0
161.04637	5.8
161.05832	0.8
168.04295	21.5
174.76633	0.8
183.06613	13.0
192.00607	2.8
207.03099	2.3
345.15662	1.0
405.21436	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	405.177
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.9
57.03442	2.8
59.01385	100.0
59.80949	0.7
61.98822	1.1
71.01009	1.2
71.01385	24.8
72.99313	1.7
73.02940	2.8
83.01401	2.7
85.02962	10.2
87.00875	0.9
88.98774	0.8
89.02442	23.0
95.01382	0.9
96.95995	1.5
101.02446	13.7
113.02468	9.7
119.03514	8.2
121.02934	0.9
134.07376	0.9
145.02960	1.1
149.09683	5.2
153.01901	1.5
161.04509	3.1
167.03441	0.9
167.10797	6.0
176.41428	0.8
179.05592	3.6
183.10284	24.4
197.11685	0.9
225.14972	1.1
239.05544	1.6
243.15903	0.9
319.50049	0.8
345.15436	3.6
405.17456	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00974	0.4
52.97949	0.4
57.76724	0.4
59.01387	1.8
63.27021	0.4
64.09785	0.4
65.00315	0.6
65.03976	3.1
65.30062	0.4
66.08624	0.4
67.01904	1.8
71.13321	0.4
71.30190	0.4
76.74205	0.4
85.02933	0.8
91.01891	48.7
107.05031	2.1
108.02195	4.2
109.02963	29.4
112.22018	0.4
114.39768	0.5
121.02932	0.9
123.04507	0.6
129.01994	0.7
133.02977	0.9
135.00888	100.0
137.02440	4.7
149.02454	0.8
153.01952	55.4
157.59399	0.5
175.03984	3.8
177.01985	2.5
221.19951	0.5
223.06392	0.5
225.05620	0.7
229.08755	0.8
231.10202	0.6
243.06644	11.1
297.06171	9.7
405.11960	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	405.1404
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	6.8
58.00601	2.2
59.01388	68.8
60.99323	2.0
61.98845	1.7
64.57780	1.4
67.01920	2.4
71.01384	33.3
72.00923	2.0
72.99304	2.5
73.02961	2.3
75.00864	1.4
78.95917	2.6
80.28392	1.6
83.01381	2.5
83.89668	1.4
85.02951	12.9
87.00876	11.2
88.98793	12.7
89.02444	37.2
95.01391	2.3
96.96008	24.1
96.96956	5.1
98.95573	1.8
99.00871	2.5
101.02447	12.7
107.05045	1.9
108.02183	2.5
109.02969	2.0
111.00887	89.8
112.98729	1.7
113.02445	12.2
119.03482	14.0
121.02943	2.7
123.00884	2.2
123.04571	1.6
129.01938	1.8
134.03746	9.7
135.04510	32.3
137.02396	1.8
138.03229	2.1
140.97617	1.5
144.03011	6.3
147.04648	1.4
149.00932	1.4
149.01311	1.7
149.02467	21.2
152.01176	1.9
153.01907	1.5
153.05582	2.0
154.99921	1.6
161.04561	3.4
165.01834	1.6
165.05493	4.8
173.00945	1.7
177.01938	100.0
179.03569	1.9
179.05603	5.2
180.04384	1.4
192.04291	37.0
195.02934	8.6
195.06665	2.1
207.06715	7.2
210.05444	6.8
225.07735	10.0
263.48093	1.5
297.09723	5.6
315.07205	2.5
387.13156	6.6
405.04883	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1198
Annotation	Trichocarpin
Peak:m/z	Relative Intensity
53.51592	0.8
57.03462	4.2
58.33331	0.8
59.01393	1.2
66.12910	0.9
69.03460	89.8
71.23402	0.9
72.99324	4.3
79.01885	15.7
81.03481	5.6
85.02959	12.7
95.01383	6.7
95.04490	1.0
97.02943	49.6
107.01389	78.7
108.02174	12.5
109.02946	8.2
113.02492	1.0
113.76528	1.0
121.02966	5.0
123.00884	11.6
125.02440	100.0
129.01961	6.0
133.02969	1.7
134.03755	1.4
135.00896	1.8
135.04573	1.4
136.01663	2.3
137.02452	5.0
147.03015	23.1
149.02451	4.3
151.00374	85.4
152.01126	1.9
153.01941	12.0
163.04037	5.0
172.05304	1.8
173.06076	1.5
177.01941	6.5
187.07625	10.9
197.06140	5.6
199.07503	1.7
202.06425	1.9
213.09183	2.3
215.07074	1.4
231.10358	5.8
242.05862	86.4
243.06636	34.7
247.90305	1.0
262.32352	1.2
275.09357	6.0
285.07755	2.3
297.06134	13.0
366.06815	1.3
405.12042	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	405.1198
Annotation	Arthromerin A
Peak:m/z	Relative Intensity
55.81742	0.6
57.03456	6.3
59.01386	100.0
62.64556	0.7
69.03452	5.3
71.01389	11.7
71.05032	0.9
77.27660	0.7
79.02184	0.6
81.03456	1.4
83.01407	3.0
85.02949	1.4
87.00883	9.7
87.04527	0.7
88.82176	0.8
89.02472	6.2
92.10838	0.7
95.05025	1.7
97.02943	3.6
97.96429	0.6
101.02448	1.5
107.04977	0.7
109.02966	15.7
109.54082	0.6
113.02480	2.7
119.03526	0.9
121.02964	1.0
123.04506	10.0
125.02448	22.9
126.98879	0.7
133.05078	51.9
135.04550	1.4
136.14067	0.7
137.02464	8.2
139.04050	1.7
139.11288	6.5
145.02957	3.4
146.03714	1.2
149.00928	1.6
149.02473	2.9
151.04047	7.9
159.04547	4.4
160.05304	1.0
161.04616	0.8
161.06088	4.6
163.03888	0.8
164.01158	1.3
165.01945	1.6
167.03535	0.8
172.05252	1.2
175.04039	1.2
175.07704	1.1
177.05479	0.9
179.03542	4.0
183.10280	45.7
185.06084	4.2
186.06778	2.4
187.03983	2.7
188.04832	2.8
193.04955	1.1
200.04776	1.6
201.05569	1.6
201.09212	4.3
203.07178	8.6
205.05099	6.3
211.06146	4.2
214.06477	1.1
221.08308	1.3
225.11215	1.4
227.07202	1.3
229.08788	9.6
245.08234	10.1
253.05035	2.8
254.61406	0.7
271.06137	9.1
289.07257	49.8
290.07239	0.9
294.59119	0.7
300.75604	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1194
Annotation	Astringin
Peak:m/z	Relative Intensity
54.00081	0.2
57.87876	0.2
59.01392	2.6
71.01369	0.3
77.95099	0.3
104.75755	0.3
107.05073	0.5
109.02986	0.4
127.77048	0.3
129.07108	0.3
131.05032	0.3
133.02908	0.4
135.04514	1.0
143.05017	1.1
148.34300	0.3
157.06583	1.6
159.04520	16.0
160.05229	0.3
161.02461	0.5
169.06595	0.3
171.04521	0.5
172.05295	1.6
173.06071	3.9
175.07660	5.1
181.06581	0.5
183.04500	1.3
183.10204	0.4
185.06123	1.8
186.06805	0.4
187.00241	0.3
197.06154	1.3
198.06841	0.4
199.04074	0.4
199.07657	3.9
200.04820	1.4
201.05592	14.1
201.09212	1.4
204.04213	0.4
214.06412	0.4
215.07187	0.5
225.05614	3.5
229.08672	2.0
239.47565	0.3
241.05104	1.8
243.06630	100.0
244.06982	0.6
273.07718	0.5
379.33450	0.3
405.12027	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.0483
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.4
55.65022	0.5
57.03462	5.6
59.01386	9.7
59.30309	0.4
65.00342	0.5
67.01896	4.0
71.01386	7.4
72.99305	0.5
73.02954	3.3
78.95906	3.5
83.01401	2.3
85.02956	7.4
87.00886	5.4
89.02438	6.5
89.02853	0.4
96.96011	16.6
96.96943	4.4
99.00874	1.0
99.04572	0.5
101.02451	3.0
107.04996	0.5
111.00885	100.0
111.02544	2.5
112.01263	0.6
112.98800	2.3
113.00540	0.8
113.02428	2.1
117.01936	4.3
119.03523	0.8
123.04497	0.5
125.02427	1.0
129.01933	2.1
133.05084	7.7
135.04506	1.1
136.98795	0.5
137.00504	1.8
147.04474	0.8
149.02438	0.6
154.99876	4.1
155.01607	2.3
161.04568	0.7
165.05547	0.7
173.00877	3.2
177.01913	3.5
179.05585	1.8
186.35820	0.5
191.01976	2.1
192.04184	0.5
199.00597	1.7
217.01532	0.7
231.03276	1.0
329.20337	0.5
345.12067	0.8
405.04819	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
53.94063	1.1
55.01876	1.2
57.03465	2.9
59.01128	1.2
59.01392	85.6
61.98841	100.0
68.99578	9.5
71.01378	21.1
73.02969	5.9
78.95923	2.4
79.23690	1.3
83.01384	2.0
84.82036	1.3
85.02958	10.0
87.00887	3.4
88.98801	2.9
89.02462	9.4
89.33063	1.3
92.10079	1.6
96.96020	7.3
101.02452	12.9
109.06622	1.6
112.98615	6.1
113.02461	7.6
119.03476	1.8
121.02974	1.7
121.06616	5.9
145.06543	1.7
161.04591	3.2
163.04227	1.6
163.07660	7.9
180.07919	7.3
181.05060	9.0
181.08762	6.8
186.53500	1.4
223.09746	2.1
343.13943	2.3
403.16159	93.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.3067
Annotation	Unknow
Peak:m/z	Relative Intensity
56.77237	72.4
58.13187	64.2
63.47739	78.0
72.30382	77.5
74.85558	74.9
92.10117	77.0
201.56189	100.0
243.26144	93.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23909	0.4
59.01386	7.8
61.74248	0.4
61.98839	30.0
63.38556	0.5
71.01403	2.0
78.95930	0.7
85.03001	0.4
89.02458	3.1
96.96014	0.5
101.02458	1.8
115.00437	0.4
119.03467	0.6
126.17048	0.4
133.01927	0.5
133.02959	21.2
135.04526	8.3
161.02452	100.0
177.05646	0.9
177.80911	0.5
179.03535	14.6
197.14130	0.5
203.03554	1.9
209.67397	0.5
221.04715	0.5
281.06537	0.9
341.08823	36.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1615
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
50.53293	0.9
51.04378	0.9
53.48595	0.9
55.01894	1.2
57.03453	2.4
58.40578	0.9
59.01383	100.0
61.98845	1.3
65.26670	0.8
67.45590	1.0
68.27845	0.9
70.11275	1.0
71.01376	11.7
71.01709	0.9
72.99336	1.4
73.02960	1.4
74.20765	1.0
80.11199	1.0
83.01421	1.7
84.77889	0.9
85.02960	2.5
87.00880	1.4
89.02460	8.9
95.96248	1.2
101.02442	6.2
113.02468	6.7
119.03522	4.6
119.08656	4.3
132.97058	1.2
133.10228	1.9
135.08127	1.7
137.09718	5.5
147.15291	1.0
161.09792	1.8
163.07639	1.4
179.10765	2.7
181.08701	17.8
197.11852	41.9
197.13672	1.7
223.09773	5.5
241.10832	61.4
341.79977	1.0
383.43561	1.2
403.11166	1.2
403.16101	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	403.1615
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03329	1.7
57.03447	1.5
59.01385	85.7
69.31312	1.4
71.01389	9.6
77.00043	1.5
87.00917	1.4
92.10191	3.2
92.65562	2.0
95.78555	1.5
96.50137	1.7
109.02953	1.5
115.00379	7.5
125.02435	1.9
132.36363	1.5
133.01445	2.1
207.13925	1.6
209.11871	3.9
225.14844	2.3
227.12924	36.1
239.11957	1.9
269.13968	3.6
283.10712	2.7
287.15051	100.0
289.07135	2.1
366.10876	1.8
403.11462	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	403.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.4
55.69695	1.0
57.84019	1.0
58.00581	1.1
59.01386	90.0
61.98835	25.6
63.65530	1.1
69.03451	1.3
71.01383	19.1
73.02954	2.2
78.83965	1.0
83.01377	1.4
85.02943	9.6
87.00877	2.6
89.02458	6.3
89.57008	1.1
92.10705	1.5
99.00882	1.3
101.02436	11.1
113.01755	1.3
113.02454	9.7
118.03703	1.2
119.03506	2.2
121.06578	5.3
126.94544	1.3
145.06628	1.3
148.21489	1.1
161.04570	2.8
161.09694	1.8
163.07686	8.3
180.07968	2.0
180.18144	1.2
181.05075	2.9
181.08699	2.9
265.31110	1.1
271.58246	1.3
403.16162	100.0
404.16431	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	403.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
55.35667	0.3
56.81290	0.4
59.01387	100.0
60.37989	0.3
66.49815	0.4
71.01380	1.8
75.76553	0.4
89.02440	1.7
92.10800	1.1
119.03482	0.4
133.95509	0.4
139.38022	0.4
298.36160	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64353	0.9
54.37374	0.8
55.01885	1.0
56.09401	0.7
59.01387	73.2
61.98856	1.7
69.03468	1.5
71.01382	14.6
73.02953	1.4
78.66869	0.8
83.01396	2.0
85.02966	4.8
87.00924	1.2
88.98841	1.6
89.02442	7.4
92.10130	1.8
95.01398	1.6
96.96017	3.9
97.02961	0.9
99.00901	1.1
101.02443	12.0
105.79936	0.9
106.74346	0.9
109.06609	0.9
113.02475	6.2
121.06607	2.2
145.06609	5.0
150.06880	5.0
151.07677	3.6
158.02083	1.0
161.04553	4.2
161.09758	1.4
162.06892	6.2
163.07678	10.2
179.10840	1.0
180.07942	23.2
181.05099	2.2
181.08714	17.0
223.09808	1.5
264.78015	1.0
276.82401	1.1
403.16193	100.0
403.81619	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1614
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67370	0.8
55.01892	1.1
57.03465	1.9
59.01387	90.4
59.50489	0.9
61.98824	1.5
65.90528	0.9
71.01381	18.5
72.99287	1.5
73.02955	5.0
78.95893	1.0
83.01400	2.4
85.02944	9.3
87.00863	1.8
89.02432	7.4
92.10818	1.6
95.01398	1.5
95.73211	0.9
96.96035	2.2
99.00865	1.2
101.02450	11.0
107.05042	1.2
109.06602	1.0
109.38897	1.1
113.02461	6.6
119.03529	1.4
121.06612	4.3
123.15478	1.1
131.03542	1.3
143.03612	1.2
145.06596	4.7
150.06960	3.3
159.03044	1.3
161.04614	2.1
161.09721	4.5
162.06908	2.1
163.07657	9.5
180.07928	8.1
181.05086	6.2
181.08731	8.1
189.10986	1.2
221.06793	1.3
223.09785	1.3
309.73666	1.1
357.07712	1.0
403.16165	100.0
404.16510	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	403.1405
Annotation	Koaburanin
Peak:m/z	Relative Intensity
55.01876	1.4
59.01394	0.2
65.67151	0.1
71.01380	0.2
80.00082	0.1
84.54549	0.1
93.03477	0.6
114.54736	0.1
117.03468	0.2
119.05022	0.5
133.06599	0.2
135.04515	0.2
136.00671	0.1
143.05029	4.9
145.03003	0.1
155.08653	1.8
156.05919	0.1
157.06583	2.9
169.06590	0.3
180.05756	0.2
181.06630	0.9
182.07367	4.5
184.05359	0.2
185.06084	5.9
193.02257	0.1
195.08173	1.7
196.08940	2.1
197.09741	4.6
199.07704	2.3
201.05574	0.1
211.07600	0.2
213.09340	0.2
223.07730	0.3
225.05634	0.9
226.06380	0.6
239.07224	1.2
241.08725	100.0
242.09026	1.4
403.13943	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1407
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01899	1.6
59.01391	5.6
64.34885	0.3
71.01402	1.2
73.02959	0.3
85.02939	0.3
89.02437	0.5
96.95977	0.3
101.02467	0.4
113.02447	0.3
114.44057	0.3
119.05091	0.4
124.08821	0.3
125.02425	0.4
133.06552	0.3
135.04533	0.5
143.05028	5.3
155.08717	1.4
157.06615	2.8
181.06558	1.3
181.08604	0.4
182.07387	5.3
185.06100	6.4
195.08170	1.7
196.09004	3.0
197.09743	4.9
199.07680	1.4
213.05591	1.6
225.05666	1.5
239.07164	2.4
241.05244	6.3
241.08742	100.0
242.09177	0.5
277.13223	0.4
287.14871	0.4
390.44843	0.3
426.45813	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1404
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.10478	0.5
55.11586	0.6
59.01387	1.4
67.06823	0.5
75.76049	0.5
77.53606	0.6
125.02425	0.8
137.02472	3.0
150.03288	2.3
165.01993	2.8
165.12921	0.8
181.06621	3.2
183.04630	0.7
183.13852	4.2
197.06161	2.2
198.06859	2.5
201.77498	0.6
204.71693	0.6
209.06161	0.7
209.92621	0.6
225.03773	1.3
225.05603	57.6
226.06325	7.9
241.08727	100.0
242.09032	1.3
259.06097	0.8
287.05643	2.4
403.19818	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1252
Annotation	10-Acetylmonomelittoside
Peak:m/z	Relative Intensity
55.11580	1.3
57.03456	1.9
57.18757	1.4
59.01385	61.1
59.05652	1.2
59.76344	1.5
61.98828	11.5
69.03455	1.8
71.01383	22.1
72.99319	10.6
73.02942	1.5
78.95905	5.9
83.01404	2.4
85.02952	12.9
89.02451	15.4
95.01405	6.8
96.43857	1.4
96.96015	24.2
96.96970	2.4
101.02423	11.3
108.56054	1.5
109.02976	2.5
111.00899	3.7
113.02457	9.4
119.03490	3.7
121.02967	3.5
121.06667	1.5
123.00889	34.5
125.02493	5.9
126.66669	1.4
127.00410	6.9
136.98834	1.9
137.02444	8.5
137.06044	1.8
138.03215	22.2
139.00342	13.0
139.03992	2.9
142.89577	1.6
149.02452	10.0
152.04691	3.0
153.01920	1.8
153.05615	6.4
161.02444	2.1
164.04829	11.2
165.01918	18.9
166.39868	1.6
167.03601	1.8
179.03494	3.2
179.07239	2.8
180.04295	8.7
193.01440	40.9
195.06610	2.4
207.03085	4.9
208.03799	58.8
223.06152	100.0
241.07230	17.0
403.12262	16.8
403.17026	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	403.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	2.1
57.82472	1.3
59.01384	85.9
61.98825	18.0
71.01379	27.6
71.98447	1.3
72.99314	2.6
73.02975	2.0
78.95907	1.8
83.01404	6.8
85.02943	17.2
88.90595	1.4
89.02433	19.8
95.01390	7.6
96.96027	13.6
99.00911	2.0
101.02425	15.1
101.33025	1.5
108.02155	1.9
109.02939	3.1
111.00861	3.0
113.02452	6.3
116.92901	1.8
119.03493	2.6
121.02968	2.1
122.03757	2.2
123.00867	24.7
125.02422	7.7
127.00329	2.8
133.02992	3.4
136.98755	2.2
137.02443	7.5
138.03258	12.7
139.00389	13.6
145.67960	1.5
152.01199	2.0
152.04811	1.8
153.01909	1.4
153.05573	2.4
154.02715	1.7
161.02434	10.0
163.07668	1.8
165.01944	13.5
177.01964	2.5
178.02257	3.5
179.03471	3.8
180.04272	6.9
181.08710	2.2
193.01408	33.6
207.02930	2.2
208.03813	58.1
223.06148	100.0
341.08746	3.1
403.16364	59.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67084	0.5
59.01380	4.4
61.98834	97.5
63.93201	0.5
67.16977	0.5
71.01401	1.2
72.99290	0.6
73.02939	0.7
76.57541	0.7
77.60162	0.5
77.83589	0.6
84.95148	0.6
85.02891	0.8
87.41376	0.6
89.02485	0.9
89.03980	1.4
96.96004	3.6
101.02432	2.7
105.03453	2.7
108.02173	2.5
109.02984	1.2
123.04490	0.7
133.02986	5.8
149.02405	0.9
160.51947	0.6
167.14197	0.6
177.01939	100.0
338.81818	0.7
339.07318	11.6
358.08530	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.0707
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62397	0.2
51.14874	0.2
53.71064	0.2
59.01390	0.4
60.73165	0.2
61.98835	1.9
65.41860	0.2
72.64576	0.2
73.02944	0.3
73.12619	0.3
78.95904	13.1
79.95749	1.9
85.02950	0.2
87.00860	2.0
88.01231	0.3
96.96009	100.0
96.96927	18.6
111.00886	1.4
122.06035	0.2
164.04704	0.4
166.02660	0.5
179.07167	0.4
217.01622	0.3
224.62386	0.3
402.11514	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	402.2287
Annotation	Unknow
Peak:m/z	Relative Intensity
57.79580	0.3
61.98834	100.0
92.10763	0.6
104.22211	0.3
137.69669	0.4
163.11314	8.7
339.23349	7.0
395.54019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	1.1
57.03458	17.3
59.01384	100.0
61.98827	14.8
64.74310	0.9
67.65163	0.9
71.01380	34.1
72.99324	1.9
73.02962	4.6
83.01421	4.2
85.02952	11.8
87.00900	2.2
89.02444	26.6
95.01359	1.4
97.06635	1.1
99.00914	1.6
101.02448	17.7
107.05061	2.0
109.02972	1.2
113.02445	10.6
119.03502	6.8
121.02952	1.2
123.04550	1.4
135.04562	1.7
135.08154	6.1
158.52956	1.1
161.04573	1.2
175.11281	17.9
177.12846	22.2
179.05745	1.4
179.07124	9.0
179.98973	1.5
190.06390	5.4
201.09283	1.4
219.10368	7.7
221.11943	1.9
225.27690	1.1
229.08786	1.4
274.54941	1.0
281.10135	1.1
289.11368	1.6
299.11359	4.2
341.11157	2.1
365.18243	1.3
383.13574	2.4
401.18317	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.3
57.03471	7.6
58.00612	1.7
59.01387	68.1
71.01388	28.5
72.99321	1.7
73.02973	8.3
74.93633	1.7
79.05547	2.0
80.19634	2.3
83.01427	8.3
85.02964	15.0
87.00904	2.7
89.02451	17.4
89.18867	2.0
101.02437	23.2
113.02504	8.2
161.04620	2.4
164.04836	2.5
175.11209	1.9
177.12889	7.2
179.07153	8.1
190.06415	8.3
219.10274	3.1
221.11823	3.7
226.51953	1.7
235.79913	1.9
274.68997	2.1
341.11063	2.5
364.67517	1.9
401.18268	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	402.068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03449	0.3
59.01379	1.6
60.41748	0.2
61.98833	100.0
78.82186	0.2
93.64594	0.2
106.80798	0.2
177.01955	2.7
178.02245	2.6
179.02452	1.6
180.02748	1.0
280.72644	0.2
331.33063	0.3
402.15009	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	3.9
57.03461	4.4
59.01382	75.9
59.60514	3.0
61.98845	4.8
67.03889	3.4
68.46085	3.1
71.01389	6.4
72.99323	3.8
73.02959	4.6
74.96513	3.0
76.44856	3.7
77.92178	3.3
85.02962	29.5
87.00916	3.5
89.02447	7.8
90.90292	4.8
92.10146	4.8
93.10065	3.2
101.02453	6.5
103.00417	5.4
103.04018	22.4
106.65017	4.1
107.64749	4.4
108.02187	97.4
109.02964	92.6
111.00893	5.8
112.98872	4.5
113.02525	6.5
123.00921	6.3
129.01871	3.9
135.04529	4.1
146.74750	3.7
152.01170	85.0
153.01932	45.7
153.03091	40.4
161.04694	4.4
179.03419	4.5
195.04126	26.8
203.12926	8.2
401.10883	100.0
401.15967	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1818
Annotation	Glochidionionoside A
Peak:m/z	Relative Intensity
55.01886	4.8
57.03455	5.1
59.01384	36.5
62.62128	0.4
71.01382	23.6
72.99332	1.0
73.02946	7.6
83.01382	6.3
85.02957	9.1
86.00117	0.8
87.00876	1.0
89.02436	10.2
95.01415	2.4
97.02941	0.7
99.00887	2.3
101.02442	19.5
107.05025	0.5
113.02451	9.6
119.03484	3.2
123.08172	4.9
124.35606	0.5
158.57370	0.5
161.04514	0.6
177.12883	5.3
188.87808	0.5
190.06299	0.6
195.13908	4.4
203.57787	0.4
221.11839	5.0
283.11093	0.6
309.08527	0.6
334.80176	0.5
341.10788	0.6
401.18234	100.0
402.18323	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.146
Annotation	Benzyl beta-primeveroside
Peak:m/z	Relative Intensity
55.01883	14.4
57.03454	11.5
59.01387	79.5
60.81684	1.3
61.98861	1.5
64.25797	1.7
69.03434	2.2
71.01384	100.0
73.02946	40.8
75.00868	1.6
83.01392	21.3
85.02958	62.2
85.96740	1.4
87.00884	9.3
89.02438	22.6
92.10123	1.9
95.01389	9.1
97.02961	3.7
99.00884	17.7
101.02448	70.7
111.00931	1.6
111.92860	1.4
113.02459	35.2
114.39727	1.6
115.03978	2.1
119.03439	2.4
123.00878	1.8
123.04543	2.1
125.02431	7.3
126.27803	1.4
131.03517	2.1
134.87379	1.3
143.03491	3.0
153.01942	2.8
159.02998	2.9
161.04568	38.6
171.75555	1.4
179.05692	2.5
179.07124	5.6
233.06680	3.5
269.10333	76.6
293.09079	3.3
353.49356	1.8
401.14597	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	401.1587
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29331	3.8
57.03443	4.7
57.22314	3.2
59.01384	75.5
61.98844	15.8
64.44307	4.0
67.83662	3.6
68.46103	4.2
71.01394	22.5
85.02956	17.0
87.00896	6.7
89.02451	21.5
92.10828	5.2
93.03413	3.6
96.96011	5.0
101.02454	16.7
103.04021	30.8
108.02180	80.9
109.02963	78.4
112.98824	4.9
113.02457	9.2
129.01901	4.6
135.04582	4.3
152.01155	79.3
153.01929	26.4
153.03079	15.2
161.04623	4.7
179.00987	5.6
179.03539	7.1
179.05719	4.4
195.04170	4.9
203.11160	4.7
203.12930	24.9
221.11871	7.3
239.09322	4.9
268.07809	4.1
317.02194	4.2
328.68750	4.2
341.11282	8.2
364.98270	4.9
401.10880	100.0
401.15823	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1306
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.9
55.32845	1.1
57.03455	18.4
58.00594	2.0
59.01385	100.0
60.17517	1.1
69.23211	1.1
71.01382	66.5
72.99323	2.4
73.02953	6.8
75.00871	1.7
77.55438	1.1
78.22583	1.2
78.95936	2.3
81.53076	1.2
83.01406	7.6
85.02951	41.7
87.00873	36.7
89.02443	77.8
91.76108	1.2
95.01375	1.5
96.96984	8.7
99.00891	6.1
101.02446	28.9
108.02197	5.1
109.02970	1.9
111.00930	2.7
113.02451	23.7
115.00369	12.5
119.03496	22.6
129.01930	26.7
131.03516	2.5
133.01439	19.5
143.03503	2.4
147.03001	2.7
159.02989	5.2
161.04616	3.0
163.02524	9.8
179.05659	20.9
191.01949	8.4
209.06691	88.5
232.73097	1.7
265.07318	1.7
267.07315	1.7
332.23108	1.4
341.10938	83.5
401.10739	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	400.3073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73521	83.9
55.41842	86.6
55.88731	83.0
58.36538	84.1
94.69588	94.6
100.63840	89.0
103.35275	90.1
119.09972	97.6
185.73148	100.0
190.91676	95.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	1.6
59.01383	10.6
60.14652	1.4
66.07545	1.4
71.01386	10.0
71.45309	1.6
72.99313	2.2
73.02950	7.5
78.95901	2.6
85.02962	8.3
87.00873	71.7
89.02440	4.0
96.96001	14.0
96.96934	2.4
96.99776	1.5
101.02432	3.8
108.02174	5.9
109.02953	6.0
111.00936	1.7
113.02453	5.9
121.02939	2.6
147.06679	2.3
149.02467	6.3
150.03174	1.6
151.00394	3.6
151.04056	2.1
152.01201	3.0
157.56604	1.6
161.02440	6.9
163.03961	2.3
164.04820	29.8
165.05560	8.4
166.02721	16.2
176.04802	3.6
177.01959	3.1
178.02791	3.9
179.03545	26.5
179.07132	60.5
180.03917	1.7
181.05057	15.7
187.04033	2.7
191.03568	3.0
192.04305	6.7
193.05128	13.8
194.05829	24.7
202.06345	1.6
203.03593	1.9
207.03076	2.1
207.06581	1.8
209.08241	30.4
222.05360	2.1
237.07758	3.6
246.05377	3.1
261.07602	2.6
265.07193	100.0
325.09311	24.3
341.10800	3.7
393.25677	1.7
401.05728	3.2
401.10956	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08335	1.3
57.03463	2.0
59.01382	7.8
68.99825	1.8
71.01383	10.2
72.47276	1.7
73.02953	7.9
80.07296	1.5
81.03432	2.0
85.02935	3.8
87.00876	71.7
92.14153	1.8
94.98861	1.7
96.96014	10.8
101.02466	2.8
111.00906	4.1
113.02485	2.6
121.02990	3.3
123.00880	9.3
135.04515	1.8
138.03276	3.5
148.63492	1.5
149.02422	7.6
151.00337	3.3
161.02470	11.8
163.02708	2.0
163.04034	35.9
164.04823	23.6
165.05606	9.6
166.02719	12.9
173.02417	2.1
175.03957	8.7
176.04752	21.4
177.01923	3.1
178.02631	1.8
178.06384	26.9
179.03549	16.9
179.07143	42.8
181.05070	10.7
187.03932	2.4
188.04829	2.2
190.02730	2.8
191.03519	30.4
191.07132	12.7
192.04221	2.2
193.05060	14.5
193.08673	2.0
194.05940	13.7
203.03561	8.3
204.04288	3.0
205.05090	12.0
206.05891	9.8
207.06645	7.1
208.07465	1.8
209.08202	11.4
218.06013	5.4
219.02957	9.3
221.08192	7.2
231.02954	3.7
234.05353	4.0
235.06230	2.0
237.07729	7.0
238.04898	2.5
247.02458	14.2
247.06212	3.6
249.07683	7.1
250.04851	3.0
251.09396	3.4
256.70215	1.9
262.04895	15.8
265.05017	2.1
265.07202	65.3
277.07196	36.8
295.08282	65.8
355.10425	20.1
383.09845	9.1
401.05750	3.6
401.10962	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	399.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21201	0.8
54.53799	0.7
55.01875	1.2
57.03449	3.8
59.01383	40.1
63.92136	0.8
71.01387	12.7
72.99319	1.0
74.85876	0.8
83.01390	2.0
83.05032	1.7
85.02954	10.1
87.00884	13.6
89.02443	9.2
91.05565	1.4
92.10091	2.2
93.03473	1.4
93.07102	1.3
101.02450	5.5
107.05022	1.0
111.00895	7.5
111.08154	3.8
113.02457	2.3
119.03528	3.6
121.02905	1.1
123.00883	1.3
137.02429	1.3
137.09718	8.9
139.07672	1.1
145.06639	2.2
149.06161	1.3
151.04005	2.0
155.10770	5.5
159.08134	1.6
160.08960	26.9
163.04004	1.5
173.09648	1.4
175.09753	1.2
175.11288	35.7
177.05614	1.4
193.08630	1.7
201.11353	100.0
217.05159	1.2
219.03046	1.7
219.10272	25.7
234.05414	3.4
249.07716	16.7
399.12393	1.3
399.16818	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	399.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60851	1.1
55.01896	5.9
56.51715	1.5
57.03473	7.8
59.01387	100.0
66.16877	1.5
69.03427	1.7
71.01385	68.1
71.01773	2.7
72.99326	2.4
73.02956	14.9
83.01398	7.2
83.05043	1.8
85.02958	32.0
87.00903	7.3
89.02444	34.0
89.02934	2.1
92.10794	3.6
93.07106	1.7
95.01405	5.9
99.00887	5.9
100.76465	1.9
101.02444	53.1
106.60915	1.3
111.00885	2.2
113.02459	23.5
119.03536	13.6
121.02979	9.7
133.06595	3.6
133.10225	2.9
143.03543	1.9
145.06573	3.3
149.06047	1.5
159.02995	2.2
159.08188	2.1
160.08960	38.8
161.04597	21.2
173.09735	6.8
175.04051	3.7
175.11293	54.5
177.05617	3.1
189.05591	2.1
190.06384	6.1
193.05077	2.1
201.41893	1.5
205.08707	2.7
219.02888	1.7
219.10312	42.2
232.04140	1.6
234.05457	2.7
249.07721	15.4
251.11389	86.5
303.77542	1.5
399.16965	32.3
411.64728	1.9
413.40613	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	399.1303
Annotation	Unknow
Peak:m/z	Relative Intensity
54.45890	1.4
55.01894	10.3
57.03456	7.5
59.01385	100.0
62.42671	1.5
63.74421	1.5
70.70161	1.4
71.01382	67.6
71.01773	2.5
73.02956	20.2
75.00861	2.4
78.52847	1.5
83.01411	12.5
83.41927	1.5
85.02956	33.6
86.00058	2.1
87.00891	8.9
89.02444	19.4
95.01397	6.6
99.00896	7.6
101.02444	61.0
101.03091	2.6
111.00880	8.6
113.02453	25.7
119.03483	8.1
121.02972	17.4
125.02485	1.8
159.02948	2.4
160.08948	3.5
161.04572	29.2
175.11275	3.7
176.08411	2.8
189.79565	1.7
219.10310	3.2
249.07629	11.7
251.11386	97.7
283.28525	1.6
299.23792	1.6
399.12357	11.9
399.17239	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	399.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.3
57.03463	17.7
59.01386	97.9
59.97613	2.9
68.73017	2.7
71.01388	75.6
73.02940	30.2
76.58297	3.2
83.01389	12.7
85.02947	53.6
85.89789	3.4
87.00874	3.8
89.02432	23.1
89.06090	7.9
95.01386	5.5
99.00874	7.8
101.02445	54.1
111.00884	6.7
113.02473	29.3
119.03453	3.8
121.02970	27.0
125.02434	4.6
129.01907	5.2
134.03731	3.7
143.03456	4.3
147.88550	4.5
160.08968	4.2
161.02402	3.6
161.04536	25.6
175.11325	13.6
190.06503	4.6
193.05035	5.8
197.64603	3.5
205.03520	3.6
217.05281	4.4
219.10130	5.1
233.03908	3.8
237.07654	7.0
249.07753	13.1
251.11333	100.0
301.36978	3.5
368.43793	3.6
399.12338	4.4
399.16891	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	399.1513
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38187	0.6
54.82470	0.6
57.03236	0.6
57.03454	5.3
59.01389	15.2
59.29040	0.6
68.41399	0.7
71.01392	48.9
71.05018	5.1
72.99320	16.3
73.02984	3.9
73.06618	1.0
78.95926	1.4
83.01407	1.4
83.05044	0.8
85.02949	5.3
87.00883	24.9
87.01366	1.2
89.02467	3.1
96.48540	0.7
96.96009	3.9
96.96941	0.9
99.00868	0.8
99.04494	1.1
99.99442	0.6
101.02454	6.4
101.06087	28.6
113.02483	3.4
115.00380	9.4
116.59048	0.7
117.02000	2.5
121.46004	0.7
129.01945	6.3
129.05620	0.9
133.01471	0.9
145.05054	0.8
147.03023	30.4
147.06648	100.0
157.33221	0.9
161.04608	1.4
207.08763	8.6
289.11102	0.6
309.57660	0.8
339.13007	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	399.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.65375	4.0
57.03466	7.7
59.01381	100.0
59.60971	3.9
71.01380	43.1
78.34293	3.7
83.05059	4.4
85.02949	31.8
87.00883	50.2
89.02447	27.5
101.02465	17.2
108.70303	3.8
110.31934	3.9
111.00882	5.9
113.02478	16.8
119.03503	7.5
119.04977	4.6
133.10219	4.9
136.93936	3.8
145.06551	6.7
146.80054	4.2
159.04538	7.9
159.08171	8.7
160.08951	86.3
173.09750	7.5
175.11273	89.3
175.12723	5.4
177.05518	4.2
188.04829	4.6
217.08876	5.1
219.10265	99.9
223.04527	6.1
233.11859	4.5
281.63675	3.9
399.16754	39.8
409.14383	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	0.8
59.01387	5.4
63.02395	0.2
79.89574	0.2
79.97376	0.2
81.39985	0.2
82.23771	0.2
83.01424	0.3
85.02939	1.9
89.03974	0.9
91.01883	0.5
105.03501	0.2
109.02969	0.9
111.00904	0.2
123.04517	0.2
133.02945	2.6
135.00916	0.5
144.39119	0.2
147.47511	0.2
149.02460	0.4
161.02464	0.2
177.01941	100.0
178.02306	0.8
201.01909	0.2
205.03596	0.3
223.04602	0.2
268.63782	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0935
Annotation	Unknow
Peak:m/z	Relative Intensity
51.01789	1.0
51.24884	1.2
55.01887	5.3
57.03457	27.1
59.01385	19.1
59.22993	1.1
67.01914	1.3
68.99805	1.2
71.01384	15.2
72.99316	5.0
73.02958	5.1
75.00896	2.6
83.01376	9.5
85.02953	100.0
87.00859	3.0
89.02442	2.5
101.02424	11.7
103.04051	1.6
111.00887	45.5
117.03503	2.7
129.01933	31.9
133.08841	1.2
134.03745	16.1
137.09779	1.8
140.09267	1.2
145.02972	7.4
147.02985	2.4
155.50598	1.2
160.08940	6.4
161.04590	1.7
163.04169	2.1
175.11281	6.6
187.02539	1.7
193.05159	5.6
204.11182	1.3
205.03569	36.9
219.10385	4.8
223.04630	91.9
399.13004	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	397.1723
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	2.0
57.03458	1.5
58.00599	0.2
59.01386	100.0
61.98846	0.3
66.55894	0.2
71.01383	30.2
71.05035	0.4
72.99299	0.3
73.02946	6.1
75.94571	0.2
77.70787	0.3
80.95425	0.2
81.03509	0.3
83.01398	3.0
85.02948	10.0
85.03452	0.4
86.00116	1.5
87.00881	4.7
87.04511	0.6
88.98786	0.4
89.02448	4.7
93.44842	0.2
95.01393	1.5
95.05037	0.2
96.95987	0.4
97.02940	0.4
99.00883	2.3
99.04517	1.7
101.01779	0.5
101.02446	14.5
101.06085	0.3
113.02449	7.0
115.04015	1.4
115.07649	0.6
117.05582	1.5
119.03513	1.1
125.02429	0.4
129.01953	0.6
143.03514	0.5
143.07146	2.3
152.99557	0.2
159.02998	1.6
161.04576	9.6
161.08199	18.9
187.03975	0.3
187.09778	4.5
188.24771	0.3
192.00615	0.4
193.01425	1.1
215.09230	3.9
229.89597	0.3
237.44244	0.3
277.12958	23.0
305.12445	8.5
337.14987	0.4
397.08835	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.0753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66291	0.3
57.74400	0.3
59.01388	4.3
61.98840	4.1
71.01384	0.7
78.95903	17.1
79.95721	2.8
89.02451	0.4
92.65965	0.4
96.96009	100.0
96.96936	23.4
97.95952	0.4
101.02423	0.6
133.02892	0.4
137.02515	0.4
137.34744	0.3
138.05591	1.6
153.62137	0.4
177.01949	0.6
247.76990	0.3
305.16742	0.3
345.78287	0.4
392.68604	0.4
413.72427	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	399.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83132	1.3
55.01896	10.1
57.03456	29.4
59.01384	27.0
61.73519	1.4
61.98843	9.5
64.14763	1.6
71.01383	17.0
72.99326	2.8
73.02976	7.5
75.00897	3.1
83.01389	15.1
84.02203	1.8
85.02959	100.0
87.00890	3.0
101.02454	11.1
104.33817	1.5
111.00879	37.0
129.01950	36.9
131.84669	1.7
134.03706	13.4
147.02940	1.9
149.06006	1.6
149.77077	1.5
161.04523	1.5
175.32408	1.8
176.01140	17.9
177.01965	18.3
191.03551	19.3
193.05031	5.9
201.11346	14.8
205.03561	35.8
207.03122	1.6
223.04619	75.4
228.38020	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	397.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83156	4.1
59.01404	10.7
63.62756	4.1
70.88964	4.3
71.01420	4.7
87.00890	22.8
101.63966	4.3
123.04531	10.9
175.03987	4.4
175.07637	10.9
177.02037	5.2
178.06345	4.9
183.83781	6.6
187.07545	8.1
201.09277	20.9
203.07140	60.3
217.08646	8.7
218.09470	37.8
228.07951	6.1
233.11752	58.1
265.14502	10.7
275.12973	59.1
291.16107	9.6
293.14151	18.6
319.11996	55.6
335.15012	24.0
397.15063	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	397.1511
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83156	4.1
59.01404	10.7
63.62756	4.1
70.88964	4.3
71.01420	4.7
87.00890	22.8
101.63966	4.3
123.04531	10.9
175.03987	4.4
175.07637	10.9
177.02037	5.2
178.06345	4.9
183.83781	6.6
187.07545	8.1
201.09277	20.9
203.07140	60.3
217.08646	8.7
218.09470	37.8
228.07951	6.1
233.11752	58.1
265.14502	10.7
275.12973	59.1
291.16107	9.6
293.14151	18.6
319.11996	55.6
335.15012	24.0
397.15063	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	395.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03465	2.2
58.71364	1.9
59.01390	100.0
61.98848	23.6
64.25028	2.1
66.68574	2.0
70.74348	2.0
71.01048	2.7
71.01398	34.0
73.02968	7.9
83.01417	3.9
85.02979	17.9
87.04521	19.1
88.98812	4.0
89.02445	24.9
96.96020	11.2
98.95607	5.2
101.02463	20.4
103.00390	2.4
113.02471	15.5
116.92855	3.3
119.03536	10.2
131.03491	19.2
143.96286	2.5
161.04570	9.6
173.08206	12.7
179.05650	8.4
317.12393	2.4
335.13586	29.6
335.17065	5.6
395.11243	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.1118
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.8
57.03461	3.1
58.00601	2.1
59.01383	100.0
61.98846	3.6
71.01376	24.4
72.99323	1.9
73.02971	2.7
75.00906	2.9
79.88564	1.8
81.65691	2.4
83.01393	3.7
85.02975	8.7
87.00918	3.2
88.98820	3.3
89.02452	21.1
96.96003	2.4
99.00819	2.4
100.92604	2.3
101.02448	20.2
107.05043	2.7
107.96348	2.0
113.02461	14.3
116.92899	2.4
119.01122	2.1
119.03503	4.2
121.02923	2.3
123.04530	8.5
125.02438	3.9
135.04553	2.7
137.02473	2.3
151.07631	3.3
153.05617	2.1
159.03064	2.6
159.52081	2.2
161.04550	4.7
167.03514	39.0
179.03516	13.4
196.48882	2.0
197.04514	21.6
239.05602	4.4
281.92404	2.2
335.17227	16.9
359.09833	49.1
395.11035	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	395.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90712	1.1
55.01891	8.9
57.03457	3.2
58.11104	1.3
59.01383	57.9
61.98840	5.9
71.01383	50.0
71.72228	1.3
72.99306	2.5
73.02950	20.7
82.34753	1.4
83.01382	18.8
85.02950	34.7
87.00887	2.4
89.02459	6.7
91.43481	1.5
92.10152	2.7
95.01376	2.1
97.02925	1.9
99.00893	8.1
101.02441	65.2
101.55873	1.6
102.02561	1.5
103.04046	1.3
108.02161	1.6
108.05229	1.5
111.00890	1.7
111.73363	1.3
113.02457	20.9
120.12005	1.5
125.02415	2.1
134.03795	1.7
135.13162	1.5
149.00987	2.1
149.06061	2.3
159.03032	2.8
161.04576	15.1
173.11818	1.8
192.95877	1.6
203.97183	1.6
249.13470	100.0
349.12701	1.6
395.19260	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	393.2134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
71.01402	11.8
75.16973	1.2
85.02935	1.6
89.02452	12.0
98.68726	1.3
98.95017	1.4
99.96228	1.3
101.02432	2.5
108.66254	1.3
109.62141	1.2
113.02407	1.8
119.03505	1.9
138.26227	1.3
138.54774	1.2
157.52223	1.5
240.04274	2.0
241.05159	1.7
324.88931	1.6
393.09943	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	393.2782
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	93.0
70.41688	70.2
79.17867	62.6
80.34032	66.0
85.44896	68.6
91.88256	73.1
92.10752	100.0
266.71375	80.0
270.80396	83.0
344.93243	90.4
346.72324	84.6
372.30362	79.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2781
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	86.7
61.01708	72.0
62.17246	93.7
94.51708	89.2
239.94623	87.6
384.97238	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2866
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	0.7
59.01392	100.0
61.98842	1.5
64.55340	0.3
71.01402	2.4
73.02966	0.8
85.02986	0.4
85.06616	0.5
89.02473	0.4
89.71202	0.3
96.95975	0.5
101.02435	0.5
108.08223	2.2
111.26888	0.4
129.09242	1.4
143.10788	0.3
152.07178	1.5
155.13164	0.4
156.54715	0.3
159.49028	0.4
168.03030	9.7
196.06027	0.5
215.16531	0.7
240.59627	0.3
287.22302	0.4
330.08350	2.4
331.25009	0.8
333.19208	2.0
333.26523	19.8
347.75812	0.5
358.11392	0.5
393.20865	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88576	0.5
56.47372	0.6
59.01380	8.0
61.98834	100.0
71.01384	1.2
89.02431	1.1
90.09383	0.8
96.96009	41.0
97.95918	2.1
98.95602	1.5
101.02413	0.8
107.05075	1.0
112.98534	0.8
116.92861	3.4
119.05022	0.9
119.20358	0.7
149.00977	1.4
164.04381	1.3
182.02185	0.8
244.27133	0.7
403.49207	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	395.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79826	1.6
59.01384	42.2
59.67469	1.6
61.98845	4.3
64.34885	2.0
69.96602	1.9
71.01389	15.6
72.99287	1.8
73.02956	2.5
75.00876	2.2
78.91917	2.5
79.62968	1.7
80.95079	1.7
82.95438	7.5
83.01402	2.5
85.02966	9.6
88.98824	2.9
89.02435	12.9
95.01390	3.2
96.96006	16.8
97.02941	1.9
98.95587	17.6
99.92603	3.6
101.02448	10.0
106.04278	4.3
107.05031	9.0
113.02464	10.1
115.04037	2.3
115.92087	2.4
116.92860	28.2
123.00887	40.1
129.05608	1.6
138.03235	64.7
147.06700	4.3
149.26131	1.7
151.04008	2.9
153.05598	20.1
153.09247	1.8
161.04568	2.9
166.99872	15.8
173.02237	20.8
173.08203	8.9
182.02228	57.6
197.04573	100.0
215.09189	2.1
216.20789	1.9
273.29788	1.8
318.61392	1.9
335.07367	3.0
335.13464	3.1
335.17068	6.9
359.09830	14.8
376.35486	1.8
395.20032	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	393.1772
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86877	0.5
51.38493	0.4
55.01896	1.4
56.09718	0.5
57.03458	2.7
59.01385	100.0
59.58942	0.5
61.98833	25.9
63.64662	0.6
64.85760	0.5
67.15981	0.5
71.01385	14.3
73.02937	7.3
82.60895	0.5
83.01386	2.2
85.02961	7.1
85.17837	0.6
87.00877	1.3
89.02450	7.4
95.01395	1.0
95.51254	0.6
96.96056	0.8
99.00886	2.1
101.02439	12.4
102.10086	0.6
103.00382	3.1
113.02426	5.2
119.03519	3.4
125.02515	0.6
135.04521	0.6
145.01476	1.0
149.00945	2.8
150.03200	0.7
161.04558	3.5
161.08224	5.1
163.02505	8.8
171.10284	3.2
175.04028	0.9
179.05600	0.6
195.06543	0.7
202.14833	0.6
203.09322	0.8
217.08789	0.8
237.92111	0.7
261.13440	9.0
333.15637	13.9
380.24045	0.6
393.17700	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05263	3.7
53.46651	3.9
57.03482	5.3
59.01389	100.0
59.21060	3.8
60.18058	3.5
70.65509	4.4
71.01397	5.7
79.19847	4.3
79.47946	3.9
85.02969	5.0
87.00872	23.3
89.02464	7.2
92.10856	8.8
92.28920	5.0
99.08118	4.5
101.02462	6.7
112.74150	5.0
116.92863	7.1
135.04527	5.5
145.08722	6.4
171.10268	8.6
185.11884	50.7
198.78746	5.9
204.95401	4.9
266.36353	5.0
393.21332	11.1
406.16330	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	393.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29307	0.4
57.03467	9.4
59.01395	100.0
61.98832	0.6
62.96807	0.5
64.88385	0.5
66.41037	0.4
67.91939	0.4
69.03470	0.9
71.01379	4.5
71.05022	3.7
73.02947	0.8
82.95455	2.3
83.01405	4.4
85.02972	2.2
85.06618	0.8
87.00911	1.1
87.04519	1.1
88.98817	0.9
89.02479	2.3
96.96004	4.5
99.04527	9.0
99.08182	3.3
101.02438	6.6
103.00368	5.3
107.05051	0.6
111.04534	0.9
113.02455	3.0
115.04018	5.6
115.07637	0.9
117.05562	5.7
119.03522	0.6
127.00381	7.0
127.28684	0.5
134.03726	2.1
135.04549	3.5
143.07149	2.2
145.01486	4.2
160.01627	1.1
161.04559	2.0
161.08203	65.1
165.05551	0.8
170.63359	0.6
175.04012	2.1
178.02760	1.1
193.05069	3.4
203.07442	1.0
203.09285	22.7
212.55113	0.6
295.92981	0.6
305.10364	0.8
307.10352	0.7
333.15616	4.1
339.09009	0.5
349.11411	2.8
393.13181	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	393.1326
Annotation	Durallone
Peak:m/z	Relative Intensity
50.85682	3.8
59.01389	100.0
61.98807	4.7
62.48499	4.6
70.75750	4.5
71.01376	7.6
87.00904	6.6
101.02425	8.3
113.02467	5.1
135.42361	5.2
149.00916	28.2
161.08168	6.5
163.02522	19.4
217.08621	6.8
393.13394	74.1
401.74097	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	392.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
58.88913	0.1
59.01394	1.4
59.01653	0.2
60.01712	0.1
61.01831	0.2
61.55854	0.1
61.98840	100.0
62.60579	0.1
66.73377	0.1
88.98812	0.3
134.92415	0.1
168.11050	0.2
270.05380	0.1
327.08859	0.2
365.00098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.3025
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25782	0.7
53.14138	0.8
53.19963	0.8
54.54335	0.8
56.36659	0.8
59.01394	100.0
61.98857	0.9
79.73183	1.0
91.22213	0.9
108.39346	1.0
112.98579	2.4
119.05038	1.1
124.31879	1.0
135.04509	1.8
141.45535	0.9
170.99208	1.4
201.01602	1.9
215.14903	1.0
249.99037	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17459	0.3
56.21282	0.3
59.01388	1.8
61.98836	100.0
71.01369	0.4
89.02460	0.6
96.96015	9.8
114.29552	0.4
119.05031	0.8
149.00941	0.7
163.03993	0.7
183.97446	0.3
266.21243	0.4
396.64307	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.084
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15870	0.3
54.83172	0.4
59.01380	0.6
61.98839	100.0
79.51630	0.4
89.57291	0.4
123.04526	2.5
125.02419	0.5
159.41415	0.4
167.03485	6.0
168.07188	0.4
180.19955	0.4
273.77850	0.4
311.64398	0.4
314.62671	0.4
329.08685	0.6
382.45230	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.263
Annotation	Unknow
Peak:m/z	Relative Intensity
56.55357	7.2
59.01388	100.0
61.98845	9.6
86.14400	10.6
165.05528	24.6
169.86441	8.2
205.11646	8.7
215.05956	7.2
225.13115	8.3
237.54912	8.6
352.26517	8.7
406.55267	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	392.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.66644	0.6
56.47493	0.6
57.40135	0.5
58.02980	6.0
59.01387	2.6
68.26734	0.6
71.01385	0.6
71.05015	0.9
72.00917	1.1
72.99293	0.6
76.97482	0.6
78.95922	0.6
81.52933	0.6
85.02930	0.6
87.95695	0.7
93.14256	0.6
96.96004	14.3
96.96951	1.3
98.06123	9.0
100.04044	100.0
103.92023	0.8
111.00913	1.2
112.01221	1.2
115.04006	1.5
142.05104	69.4
159.03026	1.6
160.02527	10.1
186.04109	1.5
186.07690	3.7
200.05687	3.2
232.08261	4.0
253.30052	0.8
325.06702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1977
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17137	0.4
53.76247	0.4
57.03457	0.8
59.01384	100.0
61.98854	3.3
62.24328	0.4
63.34707	0.4
71.01381	7.0
73.02938	1.0
83.01376	0.7
85.02966	2.4
89.02439	6.4
96.95969	0.7
101.02448	3.7
111.00874	1.0
113.02457	3.8
119.03487	1.1
119.05106	0.5
131.04631	0.6
153.01947	1.2
161.04568	2.0
168.04208	0.6
169.08693	4.6
185.07262	0.6
200.42216	0.5
203.08284	0.6
214.42230	0.5
331.13937	1.5
331.17612	7.9
375.74243	0.6
391.20013	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	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10123	0.2
51.91696	0.2
55.01881	0.3
59.01384	100.0
61.72746	0.2
62.40317	0.2
62.86402	0.2
71.01376	3.9
71.21826	0.2
73.02945	1.5
76.53278	0.2
79.41026	0.2
79.50856	0.2
83.01397	1.2
85.02959	2.1
86.43327	0.2
89.02452	0.5
92.10118	0.4
95.01386	0.3
99.00890	0.5
101.02430	3.8
111.00910	0.4
113.02467	1.6
115.00373	0.8
133.01434	1.0
161.04539	1.9
246.33368	0.2
331.17667	7.8
391.27563	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01882	0.3
55.37210	0.3
57.03448	0.9
58.00588	0.4
59.01383	100.0
59.67573	0.3
63.77579	0.3
71.01379	18.6
71.01775	0.7
72.78162	0.3
72.99279	0.5
73.02945	4.4
83.01387	2.1
85.02940	7.6
89.02440	11.3
95.01371	1.6
99.00861	1.5
101.02437	13.2
111.00774	0.4
113.02454	9.1
115.00356	1.8
119.03493	4.7
131.03404	0.4
133.01439	1.7
143.03471	0.7
158.01892	0.4
159.03006	0.6
161.04562	10.2
169.12331	0.5
179.05582	1.7
187.07587	0.5
213.09181	0.6
331.17667	51.8
332.18030	0.5
391.19638	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1979
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83795	0.3
53.26138	0.3
53.95251	0.3
55.01898	0.3
59.01384	100.0
71.01386	5.5
73.02954	1.5
83.01388	0.7
85.02956	3.0
89.02428	0.7
91.08300	0.3
95.01373	0.4
96.23936	0.4
99.00891	0.6
101.02437	4.0
113.02462	2.4
119.03541	0.4
119.07952	0.4
161.04590	4.6
174.23282	0.4
178.24332	0.3
305.96753	0.4
331.17670	10.1
391.19748	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	391.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	5.4
59.43810	0.3
62.76810	0.3
71.01385	0.6
72.99355	0.3
73.02938	0.3
85.02962	2.3
87.87917	0.3
89.02460	0.4
90.18836	0.3
96.96026	1.7
98.95592	2.8
98.96496	0.5
99.00898	0.5
101.02477	1.4
106.22804	0.3
110.00119	4.6
111.00928	0.6
113.02438	1.3
124.01680	0.8
125.02441	4.8
127.02109	1.8
137.02490	0.6
137.99591	6.6
138.03207	0.5
139.00365	2.1
152.01189	2.7
153.01950	100.0
154.02774	3.5
155.03539	1.8
161.04565	2.1
164.01134	0.4
167.03508	8.0
168.04294	39.6
169.05049	6.5
181.70744	0.3
196.03790	0.5
199.00586	0.8
209.04550	0.6
231.03178	0.6
233.70064	0.5
274.18692	0.4
315.05396	1.4
331.10419	16.0
331.14288	0.8
359.04462	1.5
391.06943	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1019
Annotation	Chemomicin A
Peak:m/z	Relative Intensity
56.73886	1.9
59.01388	14.1
70.07122	2.0
71.01381	9.2
72.99303	2.8
76.58193	1.9
76.70489	2.1
78.95898	63.5
85.02971	3.1
87.00890	2.6
88.58562	2.2
89.02473	8.6
101.02448	11.6
113.02420	4.8
154.91512	2.6
157.63420	2.8
161.04520	5.4
179.05363	3.3
193.07240	24.8
194.93715	4.1
198.90520	9.5
202.39967	2.4
214.88435	2.8
235.30611	2.2
270.85007	12.2
288.86700	3.0
294.85165	2.8
307.15265	2.1
309.28284	2.2
312.85968	20.6
312.96454	2.7
330.80777	3.9
330.87488	2.3
348.21857	2.5
355.08566	3.6
355.12534	55.3
364.92844	2.5
391.10239	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	391.1043
Annotation	Garcimangosone D
Peak:m/z	Relative Intensity
51.56890	0.3
56.55209	0.4
57.03452	0.6
57.74455	0.4
59.01388	49.0
61.98817	0.5
63.02427	0.4
65.00332	7.8
71.01377	3.0
78.87627	0.4
79.47018	0.4
80.71380	0.4
83.01394	6.3
85.02962	1.0
85.94314	0.4
89.02448	1.1
97.02966	0.6
101.02440	2.1
107.01397	13.2
108.99336	0.6
111.00861	1.0
113.02435	0.6
119.05008	4.5
121.02954	3.2
123.08165	0.7
125.02422	0.8
141.07141	0.6
143.05020	6.0
145.02974	15.9
151.00386	27.3
151.10748	0.4
157.06624	0.6
161.06102	4.1
162.22440	0.5
183.10298	1.8
185.06094	10.5
189.56221	0.5
225.05614	0.8
229.05093	100.0
231.12296	0.9
253.05005	0.7
271.06119	0.9
331.17792	3.6
391.10501	5.1
391.19376	0.9
391.23654	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97983	0.3
55.01896	0.4
57.83497	0.4
59.01163	0.5
59.01383	21.5
71.01379	26.8
72.99302	5.3
73.02931	1.0
83.01411	0.4
85.02946	0.8
87.00889	2.3
89.02450	6.4
92.10790	0.8
101.02441	2.8
103.71618	0.4
109.02990	4.3
113.02454	1.0
115.00371	65.2
119.03469	0.8
122.74006	0.4
133.01428	100.0
143.05037	1.0
150.04381	0.4
158.03769	0.5
159.04570	1.6
160.08615	0.4
161.04610	2.0
172.05296	4.1
173.06068	4.1
174.06841	0.6
179.05626	0.5
185.06067	2.4
186.06410	0.8
187.03990	1.1
187.07675	28.5
201.05623	3.8
202.06374	8.3
203.10770	0.6
204.04369	0.7
213.09241	5.5
215.07153	3.1
216.07883	0.8
227.07146	6.2
228.07516	6.2
229.05247	1.3
229.07738	7.1
231.10283	17.1
257.08148	1.7
267.87332	0.6
275.06427	0.7
275.09277	15.0
331.17636	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	389.2912
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82990	0.4
59.01385	100.0
83.07288	0.4
83.10760	0.5
90.00089	0.5
96.76563	0.4
117.90980	0.5
157.59579	0.5
160.28612	0.5
184.91910	0.5
253.58179	0.6
258.03094	0.6
269.58716	0.5
300.15820	0.6
376.23734	0.5
392.38705	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28676	0.6
59.01387	44.8
60.01702	0.6
61.98851	4.2
63.18485	0.7
67.57407	0.6
71.01400	4.6
87.00888	0.8
89.02445	1.1
90.16325	0.6
97.08105	0.7
110.02475	6.8
111.00923	4.0
114.40016	0.9
115.00394	4.0
119.05045	1.6
123.00887	9.6
125.02512	0.8
153.00702	100.0
154.01469	1.4
159.08185	1.3
168.03046	82.5
169.06694	1.0
182.04643	3.4
226.03644	9.2
234.76540	0.8
275.30234	0.8
287.71814	0.7
389.17090	0.7
390.08511	2.6
390.17517	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	389.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83299	2.1
55.09475	1.6
59.01383	28.1
60.45286	1.8
63.03663	2.0
77.09408	1.6
82.60534	1.8
153.26854	1.9
157.75163	2.0
217.19568	2.0
243.02591	2.4
273.25464	2.2
275.32782	2.1
307.22818	100.0
324.00266	2.3
347.85953	2.0
352.49734	2.2
365.07736	2.2
389.23163	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.70036	20.2
111.56829	24.5
112.77486	23.1
123.80264	24.0
155.00945	23.9
180.79407	23.9
377.45114	22.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2469
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
72.63976	12.6
77.76389	17.6
92.38303	15.0
93.29539	15.8
140.40392	17.7
170.06114	18.9
252.39388	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	389.2913
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20562	0.7
56.35794	0.6
59.01386	100.0
70.90501	0.6
104.39771	0.8
113.82542	0.7
173.23177	0.8
192.03204	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50650	0.5
57.03460	1.4
59.01384	100.0
63.35001	0.5
67.02509	0.6
71.01380	11.8
73.02952	3.8
75.47042	0.5
75.62000	0.5
82.03030	0.5
83.01406	0.8
85.02957	6.2
87.00911	1.3
87.04528	0.7
89.02448	1.2
92.10156	1.0
93.03448	0.9
95.01382	1.0
99.00900	1.2
101.02454	9.0
113.02457	5.1
118.51348	0.6
123.04532	0.7
123.07967	0.5
125.02466	5.2
132.24881	0.6
135.04570	0.5
137.02484	1.0
145.02959	0.6
149.09692	0.8
151.04016	0.6
152.08441	6.8
159.03046	0.7
159.04483	0.7
161.04578	12.1
167.10788	10.7
188.98988	0.6
203.07190	0.7
205.03448	0.6
209.08104	0.6
213.09232	2.4
216.71443	0.7
271.06137	0.8
272.80176	0.6
289.07318	3.0
307.10767	0.5
329.16180	8.0
389.08432	2.8
389.25504	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1822
Annotation	Unknow
Peak:m/z	Relative Intensity
57.31928	0.9
57.79550	1.0
59.01385	95.6
62.72657	1.3
70.47165	1.3
84.04347	1.2
85.13060	1.1
86.77269	1.1
96.00908	1.1
105.64808	1.2
106.41190	1.3
148.91901	1.2
167.10782	100.0
243.35051	1.3
315.84955	1.3
322.61612	1.4
349.88803	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
55.58205	0.2
59.01384	100.0
59.98532	0.3
60.01715	0.2
61.98840	0.2
69.83356	0.2
69.88793	0.2
71.01389	1.4
73.02951	0.2
85.02962	1.2
88.98814	0.4
89.02448	0.5
95.01418	0.2
99.04491	0.3
101.02441	0.9
113.02428	1.4
119.03499	0.2
153.89531	0.2
155.91202	0.2
161.04550	1.0
167.10777	39.4
168.11006	0.3
191.10837	0.4
221.06772	0.2
261.30011	0.2
329.16171	0.3
409.34866	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1824
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63789	0.4
53.90416	0.4
55.60307	0.5
55.69078	0.4
57.03456	0.6
57.67640	0.4
59.01390	100.0
62.17215	0.4
71.01389	4.9
73.02958	0.8
85.02958	1.8
89.02448	0.9
99.00907	0.5
100.26826	0.4
101.02433	3.3
113.02453	1.1
159.03059	0.6
159.10249	0.7
161.04535	3.5
203.33598	0.5
329.16153	5.8
389.18124	1.0
394.58588	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	79.5
63.29702	0.8
68.76312	0.7
71.01388	7.2
73.02534	0.7
73.02953	1.7
73.98587	0.8
74.95171	0.7
83.01385	1.6
85.02968	4.8
86.24075	1.1
86.39585	0.9
89.02453	1.9
99.00854	1.0
101.02444	9.5
101.99603	0.9
102.01727	0.9
106.98579	0.8
113.02439	4.9
139.84308	0.9
164.57565	0.9
371.17343	1.2
389.18250	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1458
Annotation	Reptoside
Peak:m/z	Relative Intensity
51.09840	0.9
55.01889	4.3
57.03442	1.1
58.68824	1.4
59.01386	100.0
61.98844	4.5
62.17256	1.1
70.86763	1.0
71.01379	37.4
72.99331	1.3
73.02960	2.8
76.10495	1.0
83.01402	2.5
85.02955	13.2
87.00910	1.7
89.02441	27.0
92.10840	1.4
95.01392	2.1
96.96007	30.4
96.96966	2.7
98.95598	42.7
98.96429	6.4
99.00867	4.6
101.02432	24.5
109.02972	2.3
113.02470	12.0
119.03516	12.6
121.06681	1.3
129.01991	1.6
131.03574	1.2
134.03740	6.5
137.02446	29.7
149.04881	1.1
149.06068	8.5
152.04813	12.6
159.02913	1.3
161.04544	5.7
167.07126	5.2
179.03458	5.5
179.05557	1.8
184.03813	4.1
209.08270	2.3
212.06982	14.0
227.09280	29.2
238.61250	1.1
329.12408	6.9
353.18231	5.9
389.10645	5.6
389.14926	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00812	0.8
59.01392	90.0
62.18251	0.8
65.86742	0.9
71.01380	12.2
73.02967	0.9
73.63464	0.8
78.95915	14.3
79.95750	1.6
85.02967	6.7
87.00883	1.8
89.02445	12.7
90.48437	1.1
92.63806	1.0
95.01376	1.2
96.96009	100.0
96.96933	22.7
98.70988	0.9
101.02454	7.6
107.05029	2.3
108.02173	36.5
109.72818	0.8
111.00924	1.1
113.02460	4.7
119.03505	5.9
121.02947	1.8
123.03613	2.3
123.04520	71.9
124.04849	1.0
125.02432	2.2
134.03735	5.1
135.04480	1.0
148.01672	30.3
149.02443	1.1
149.04407	1.5
149.06085	8.0
161.04562	3.8
164.01167	2.2
165.05585	1.2
166.99838	1.6
167.03510	67.5
167.07144	74.0
179.05629	4.3
182.02287	2.0
191.03656	1.2
197.04506	2.3
227.05814	1.4
311.07855	7.6
329.08917	1.4
329.12497	6.0
359.57193	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1248
Annotation	Resveratroloside
Peak:m/z	Relative Intensity
50.67715	0.2
50.81684	0.2
59.01405	0.3
72.62456	0.2
88.53603	0.2
107.05058	0.4
109.70052	0.2
117.03465	0.2
119.05025	0.6
141.07123	1.4
143.05037	11.5
157.06564	2.1
159.08147	3.2
175.43849	0.3
181.06625	0.5
182.07364	1.3
183.08159	4.3
185.06091	18.0
212.04770	0.3
225.05629	0.4
227.07170	100.0
228.07558	1.1
290.89575	0.2
302.38422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74583	0.5
55.01881	0.6
59.01387	4.7
60.99322	0.8
61.98843	2.5
71.01379	0.7
79.05540	3.4
85.02972	0.9
85.17775	0.6
88.00408	1.1
88.98798	11.0
96.95966	0.9
97.02951	0.7
103.05532	0.9
109.02966	2.7
109.79670	0.7
113.02456	1.4
119.05028	0.7
122.03728	2.4
123.04523	57.2
125.02440	0.7
125.06075	1.2
135.00877	3.3
137.06042	0.9
138.03296	0.7
147.04514	1.1
152.01100	0.7
153.01955	4.6
153.05565	2.8
163.04070	0.9
166.02591	0.7
167.03503	100.0
176.01035	0.9
179.03529	0.8
181.05078	11.0
191.03526	15.5
209.04622	6.2
212.03311	0.7
217.05984	0.6
224.29927	0.5
269.06747	0.9
297.06229	0.6
329.08765	1.5
389.10785	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43737	0.7
53.87855	0.6
59.01395	4.9
67.42197	0.7
71.01402	3.8
72.89165	0.6
78.95537	0.7
78.95892	5.2
79.05560	3.5
79.19881	0.6
79.35256	0.6
80.02696	0.9
96.96008	37.1
96.96923	6.8
101.02437	1.1
108.02178	43.3
120.88125	0.7
123.04522	87.8
152.01123	5.1
166.02689	0.8
167.03500	100.0
228.19994	0.8
329.09006	1.3
389.11142	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.125
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82819	1.5
55.69131	1.2
57.03466	20.8
59.01393	83.0
64.48491	1.3
71.01392	3.3
73.02961	3.1
75.36426	1.2
81.03479	6.5
83.01414	10.6
85.02959	2.1
89.09821	1.3
92.10166	3.7
95.05037	11.5
97.02965	6.3
103.30893	1.3
108.02184	1.6
109.02959	23.9
111.00930	2.0
113.06108	6.2
117.03455	1.6
117.05598	34.0
121.02953	6.6
122.03799	2.2
123.04524	16.9
124.01733	1.5
125.02444	100.0
127.06109	1.4
135.04558	5.8
137.02452	31.4
138.03102	1.4
139.04019	7.0
140.75624	1.4
144.28360	1.4
145.02983	25.8
146.03714	3.5
147.68399	1.6
149.02457	11.5
150.03232	3.2
150.61209	1.3
150.98286	1.4
151.04008	11.9
157.06535	1.6
159.04504	15.8
161.06085	14.6
163.89658	1.5
164.01154	3.0
165.01968	2.6
165.55310	1.7
168.18307	1.6
175.04033	3.1
179.03444	3.0
181.05112	9.8
183.04530	3.0
185.06108	11.4
187.04073	10.7
188.04764	2.8
201.05591	1.9
202.06296	1.6
203.07164	18.2
205.05121	6.6
211.04138	2.1
220.53378	1.7
221.08281	2.6
225.05693	2.5
227.07233	7.4
230.02159	1.9
237.83746	1.5
245.08199	19.6
253.05127	13.4
271.06165	36.8
289.07214	67.5
293.39059	1.8
389.17874	3.2
389.25595	7.1
400.20056	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	389.1093
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	0.9
72.02661	0.4
72.45715	0.4
81.03477	3.9
83.01412	2.7
95.05097	0.4
114.39741	0.5
123.04529	34.4
125.02460	5.3
140.43382	0.4
149.02429	0.5
151.00410	1.8
164.42235	0.5
167.03511	100.0
178.76476	0.5
180.68460	0.4
191.01968	0.5
191.03500	0.8
329.08820	6.3
345.17450	0.5
351.25006	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01401	100.0
75.08395	15.9
76.44336	19.3
161.53191	20.9
169.72430	18.2
187.79007	17.2
325.72955	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	388.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13187	0.2
59.01386	1.8
59.71794	0.2
61.98841	100.0
69.70282	0.3
71.01391	0.3
74.63512	0.2
78.08125	0.3
78.95872	0.3
87.00883	0.6
92.10157	0.6
96.96008	1.9
109.37585	0.3
147.12157	0.3
150.03252	0.7
150.73676	0.3
151.03619	0.3
158.40944	0.3
163.03973	0.4
192.28125	0.3
274.85516	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0671
Annotation	Batocanone
Peak:m/z	Relative Intensity
54.34974	1.9
55.02560	2.2
59.01393	10.9
70.81501	2.2
86.18607	2.2
130.28328	2.7
139.17915	2.4
173.50867	2.7
189.10306	2.4
221.06123	21.6
231.42430	2.6
245.09666	3.4
277.05081	15.8
277.08545	4.4
289.08734	50.1
295.06158	3.1
305.04575	5.0
305.07913	2.9
317.08267	11.2
323.05756	3.7
333.03925	4.3
333.07755	76.4
361.07285	60.1
389.06750	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	3.0
71.01383	1.1
71.56583	0.3
72.99328	0.3
78.95914	16.2
79.95739	2.0
85.02962	0.3
89.02474	0.6
96.45160	0.3
96.96018	100.0
96.96948	27.4
101.02426	0.3
111.00919	0.3
113.02454	0.3
137.02460	1.5
138.99379	0.3
139.03981	0.6
149.02466	0.5
149.06081	0.3
154.52217	0.3
165.05592	0.6
167.03450	1.0
183.02930	0.3
211.02412	0.3
212.03198	0.3
389.06570	0.4
389.11090	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	3.1
57.03459	7.8
58.00591	2.1
59.01387	100.0
61.98853	2.8
71.01384	42.8
71.36652	1.3
72.99320	2.4
73.02969	5.5
77.95570	1.3
83.01411	8.8
85.02955	22.9
87.00881	9.3
89.02444	27.4
95.01366	1.9
101.02450	29.1
111.00906	1.5
113.02439	15.2
119.03520	11.0
125.02448	6.5
129.01953	1.6
129.27032	1.4
137.09749	2.1
151.00471	1.5
152.08484	1.5
161.04640	2.3
164.04778	7.6
179.03571	1.9
190.06409	1.5
193.08704	8.6
201.67696	1.5
213.97224	1.7
225.07793	7.1
225.14957	14.8
244.85255	1.5
251.05659	1.6
337.93958	1.5
369.11890	9.4
387.12836	6.1
387.20361	94.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2312
Annotation	Unknow
Peak:m/z	Relative Intensity
55.08317	33.2
59.01398	100.0
74.54974	41.1
97.51182	37.9
103.65173	43.4
146.30376	39.6
229.11147	40.1
255.58870	42.2
325.47476	51.1
349.87579	44.2
366.90683	58.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2031
Annotation	Glochidionionoside B
Peak:m/z	Relative Intensity
50.31530	0.9
50.73847	1.0
50.76343	0.9
54.82887	1.0
57.03467	3.9
59.01392	65.1
61.54607	1.0
62.10052	1.2
66.72159	0.9
69.03472	2.5
71.01390	9.4
72.99317	2.1
73.02961	7.9
73.14017	1.1
73.89182	1.1
75.26387	1.0
85.02956	10.3
89.02462	6.1
96.96014	2.8
101.02466	2.7
103.04018	1.8
117.29933	1.1
123.08167	2.1
142.98080	1.3
162.41678	1.1
162.56334	1.2
179.00140	2.0
223.13472	22.3
225.05463	1.9
241.14436	1.6
250.64526	1.4
387.20313	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	387.1671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	2.2
57.03474	1.0
59.01398	100.0
59.26377	0.4
61.98840	9.0
65.85802	0.5
71.01396	12.5
72.01526	0.4
72.99306	1.0
73.02601	0.5
73.02945	4.0
83.01389	0.9
85.02962	7.8
87.00896	1.0
87.07664	0.6
88.98875	0.4
89.02472	6.8
95.01431	0.9
99.00892	1.0
99.42002	0.5
101.02452	9.7
113.02436	5.2
119.03492	3.0
125.02450	1.1
125.09638	0.5
132.21625	0.5
147.04549	0.7
153.34726	0.6
161.04594	3.5
164.04826	0.8
165.09207	0.9
181.08606	0.5
195.06772	0.5
210.08937	0.6
225.07684	2.0
225.11333	1.1
225.15016	2.2
327.14587	4.4
387.16428	2.4
387.20557	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	387.1665
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
54.82951	0.9
55.01881	0.8
56.76278	0.9
58.00572	0.9
59.01385	100.0
71.01376	14.8
72.99305	1.1
74.70428	0.8
83.01411	1.6
85.02951	3.9
87.00977	1.2
89.02440	16.7
95.01391	1.3
96.57990	1.0
96.95990	1.3
101.02446	11.6
113.02448	7.1
119.03482	4.8
120.30724	0.8
147.43286	0.9
163.11307	4.8
179.85002	0.9
199.48053	1.0
207.10294	11.4
234.54794	1.2
319.10437	1.0
383.17557	1.1
387.16675	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
54.10446	1.4
59.01387	85.1
61.85806	1.4
61.98839	2.9
63.44380	1.3
63.80988	1.4
64.96867	1.3
65.12527	1.4
71.01381	20.6
82.57621	1.6
83.01411	1.6
85.02959	3.7
85.06583	2.1
89.02457	17.6
101.02444	9.4
102.01108	1.6
110.22881	1.6
113.02429	6.7
119.03494	7.2
126.66673	1.8
163.11299	50.7
190.02748	2.7
205.04848	2.0
232.14331	2.1
387.16663	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	387.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	100.0
82.24322	1.5
101.02451	1.9
121.10221	4.2
131.03705	1.8
136.50267	1.8
137.02513	2.4
154.54530	1.7
157.43100	1.7
165.09209	30.3
181.37683	1.8
183.04408	2.0
204.70059	1.7
234.69775	1.8
373.15625	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	387.1667
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16940	0.6
57.03467	0.7
58.00595	0.9
59.01391	100.0
59.21656	0.6
71.01393	14.2
72.99327	0.8
85.02968	3.6
87.00903	1.4
89.02451	13.4
89.02953	1.2
95.01394	1.2
98.61113	0.7
99.46348	0.7
101.02466	9.4
104.83915	0.7
113.02479	5.3
119.03500	5.0
128.40251	0.7
138.51985	0.6
163.11311	14.9
171.21425	0.7
175.07513	0.8
179.03458	1.3
207.10260	3.4
387.16687	71.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1873
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.82940	0.3
54.88718	0.3
55.01876	0.5
57.03453	12.6
58.00602	0.9
59.01383	37.8
69.03453	6.7
70.53629	0.3
71.01376	7.9
71.05020	0.6
72.99305	1.9
73.02939	15.4
83.01392	0.5
85.02943	11.3
87.04516	0.5
89.02444	2.4
97.56187	0.3
101.02430	2.5
103.04021	1.9
109.06602	2.3
111.00876	0.4
123.08171	4.5
125.09723	0.5
135.08154	0.7
145.05168	0.4
151.11293	4.2
158.79771	0.4
177.12871	5.8
179.10857	0.4
195.13908	26.1
203.61082	0.4
221.11829	5.0
223.04625	1.6
385.18735	100.0
386.19049	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.131
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	0.7
55.13856	0.4
57.03453	2.8
58.03795	0.4
59.01388	3.6
61.98833	100.0
68.45262	0.4
71.01389	0.7
72.99300	0.5
83.01405	0.9
85.02959	10.1
86.03284	2.9
87.00861	0.6
96.96004	0.8
99.04533	0.4
111.00879	3.9
112.01208	0.6
119.05017	4.8
120.05373	4.6
129.01942	2.5
130.02271	0.9
135.04478	0.7
137.19324	0.4
147.03073	0.7
156.73582	0.4
161.08194	3.7
163.03957	2.5
164.04289	1.7
205.03534	2.9
206.03917	1.5
223.04648	9.9
224.04988	8.0
329.40665	0.4
336.37616	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1311
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04755	0.2
54.83170	0.3
55.01886	0.3
57.03449	1.6
58.03808	0.3
59.01385	2.6
61.98835	100.0
65.60428	0.3
67.30676	0.3
71.01387	1.9
72.99313	0.4
83.01370	0.5
85.02943	6.3
86.03287	2.1
87.00875	0.4
96.96020	0.6
99.04504	0.4
99.33772	0.3
101.02457	0.3
111.00909	2.3
112.01205	0.7
113.46712	0.3
121.23597	0.3
129.01917	1.8
130.02232	0.5
136.04906	0.4
161.08238	2.6
205.03583	2.2
206.03870	1.4
223.04643	5.8
224.04985	5.4
241.86574	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
54.56583	0.8
57.03454	1.6
58.00596	1.7
59.01387	94.1
60.79490	0.9
61.56717	0.8
62.30994	0.9
71.01385	30.2
71.01766	1.1
72.99308	1.8
76.67982	0.9
83.01379	4.1
85.02964	6.6
85.94992	1.2
87.00875	2.4
89.02438	32.6
95.01387	4.3
95.05028	1.4
101.02452	18.7
113.02448	10.2
119.03503	9.3
121.02977	1.9
125.02430	1.5
149.00966	7.6
149.02438	6.6
149.07037	1.1
151.00351	1.9
163.11310	10.8
177.01953	58.3
178.02695	2.0
179.05658	1.4
192.04315	68.1
193.04816	2.0
199.32738	1.1
207.06660	100.0
208.06808	1.2
211.04099	1.1
213.96179	1.2
299.06577	2.5
325.63788	1.2
363.71484	1.1
387.16672	29.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64957	0.5
53.95961	0.5
55.01889	2.3
57.03454	5.6
58.00609	3.1
59.01385	100.0
61.98837	1.3
62.92525	0.5
69.03487	0.5
71.01382	49.8
72.99325	3.7
73.02955	5.3
75.00893	0.7
76.86747	0.5
82.65295	0.5
82.76058	0.6
83.01391	4.8
84.08251	0.6
85.02950	22.3
87.00898	3.9
89.02444	49.1
95.01390	3.2
101.02437	23.3
107.05010	0.6
109.02975	1.0
111.00875	5.5
113.02457	20.2
113.03243	0.8
119.03500	20.5
119.05009	1.1
123.04543	2.7
123.08143	4.5
129.01962	3.3
131.03520	2.7
133.02966	0.7
135.04555	0.8
135.08163	1.2
143.03519	1.4
149.04655	0.7
153.09204	13.2
161.04558	4.7
163.04111	1.2
177.01949	2.5
179.05663	8.2
187.11317	1.4
189.01996	1.3
189.09256	0.8
190.02713	0.8
190.09993	0.8
205.03563	5.2
205.12384	10.6
223.04599	15.3
223.13449	0.7
341.06747	1.3
356.38831	0.7
385.18640	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	385.1873
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89069	0.6
55.01890	4.4
57.03462	8.5
57.56458	0.7
58.00598	3.0
59.01386	100.0
60.30146	0.6
61.98832	3.7
71.01385	52.2
72.99324	4.9
73.02945	4.3
75.00878	1.2
83.01394	6.1
84.02155	1.0
85.02952	38.7
85.03452	1.4
87.00892	4.8
89.02441	49.6
92.10767	1.7
95.01394	4.0
97.02922	0.9
101.02454	23.6
109.02974	1.6
111.00875	12.4
113.02441	16.8
119.03506	19.7
119.04967	1.7
123.04530	1.5
123.08163	3.4
125.09722	0.9
129.01964	8.1
131.03499	1.4
135.04552	1.5
135.08162	1.3
143.03537	3.4
147.03044	1.8
147.08151	3.0
149.06039	0.8
153.09219	12.8
161.02567	0.7
161.04572	5.4
177.01953	3.4
179.03513	0.7
179.04161	0.8
179.05582	8.2
187.11334	3.1
189.02005	3.7
190.02734	1.1
191.75699	0.8
205.03552	9.8
205.12352	11.2
217.01393	1.1
219.02966	0.9
222.01707	0.9
223.04622	35.8
243.86610	0.8
297.07660	1.1
307.89008	0.8
322.47797	0.9
341.06738	5.4
372.52887	0.8
385.18829	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05302	0.7
55.01890	1.8
57.03464	8.1
59.01396	8.2
71.01393	11.1
73.02956	3.6
81.03468	7.6
83.01390	10.4
85.02966	22.5
95.01401	1.1
101.02462	6.0
107.04999	1.1
109.02950	3.8
111.00904	8.1
113.02444	3.5
121.02962	1.2
122.03738	4.4
125.02454	13.4
129.01918	5.3
135.04474	0.9
137.02448	29.6
137.09767	4.9
138.03204	0.9
139.07639	7.8
149.02490	1.7
150.03236	6.0
151.00360	1.1
151.04047	1.0
161.02495	1.4
161.04579	4.0
165.01932	7.5
175.03976	1.3
179.10794	43.1
179.14316	1.0
201.05653	1.6
205.03587	9.2
215.07248	0.9
223.04695	22.6
223.09795	100.0
227.28589	1.0
245.35771	0.9
287.05536	1.5
288.06323	1.2
303.77719	1.0
385.13507	1.4
385.18692	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.9
57.03461	25.1
59.01385	16.7
69.03461	4.5
71.01400	4.9
80.50714	2.2
81.03462	10.9
83.01386	19.7
85.02944	34.0
91.81029	2.0
93.03480	2.7
95.01384	2.3
95.05019	4.8
97.02962	13.6
99.04528	4.9
101.02479	4.3
107.05042	3.2
109.02965	13.0
110.59426	1.9
111.00869	21.2
115.62678	1.9
121.02963	11.3
122.03749	3.0
123.04481	3.9
124.01676	3.0
125.02441	64.2
129.01958	11.9
130.78554	2.6
131.05017	2.9
133.03046	2.7
135.04515	9.5
137.02435	100.0
138.03252	2.1
139.04042	3.9
146.03749	32.0
149.06076	3.9
151.01709	2.1
151.04002	8.4
154.02762	2.6
157.06595	2.3
159.04518	12.0
159.32156	2.5
160.05292	2.7
161.06070	2.2
164.01143	31.6
165.01938	71.9
167.03494	30.5
172.05272	3.7
173.06075	27.2
174.03233	17.1
174.06900	8.9
175.04086	3.4
175.07632	53.3
176.04764	11.0
177.01962	13.6
179.03522	13.9
186.06854	2.8
187.04021	3.5
187.07640	8.9
189.09238	5.0
190.02739	9.1
195.13994	2.3
199.07729	2.5
199.46764	2.1
200.04781	10.0
201.05585	4.3
201.09264	5.2
202.06396	3.9
203.07115	17.0
205.03572	11.4
205.08691	5.1
211.03987	3.2
211.07661	3.3
213.09221	2.9
215.06981	3.2
217.08690	21.3
223.04617	53.3
225.05643	4.6
226.06282	2.4
227.07184	2.6
229.08736	27.8
241.08716	4.5
244.07358	3.6
247.09706	4.9
255.10359	4.4
257.11966	9.2
268.07465	2.9
270.09232	2.3
279.10089	2.6
281.11789	12.2
283.09741	3.3
294.09091	2.7
297.11398	4.5
299.12946	11.4
323.12927	25.7
344.86417	2.3
367.11899	34.3
385.12863	12.4
385.18759	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	385.1299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	25.2
57.90103	1.5
59.01140	1.3
59.01382	10.9
67.01894	2.3
69.03481	5.7
71.01402	3.0
77.03966	2.1
81.03457	12.4
83.01394	19.2
83.05099	1.6
83.42111	1.6
85.02947	25.3
87.00835	1.9
92.10124	1.9
93.03461	3.0
95.01388	1.9
95.05035	10.6
95.09055	1.4
97.02954	11.7
97.06647	1.5
99.04506	12.6
101.02448	3.2
107.05036	3.4
109.02949	11.9
111.00881	10.8
120.02096	1.9
121.02953	10.2
122.03732	6.9
123.04539	3.5
124.01605	2.5
125.02441	67.8
129.01904	3.6
131.05045	2.1
133.02977	1.7
135.04514	3.9
137.02449	100.0
139.03986	3.0
146.03754	39.4
147.04530	2.2
148.05237	1.8
149.02434	1.9
149.06111	3.6
151.04008	10.2
157.06596	2.9
159.04564	12.1
160.05263	3.9
161.06052	6.4
163.00404	2.1
164.01160	38.6
165.01938	76.1
167.03506	35.7
167.17641	1.4
172.05327	7.3
173.06102	29.8
174.03262	15.1
174.06932	12.2
175.04071	6.4
175.07655	48.6
176.04781	13.5
177.01932	8.9
177.09079	1.8
179.03456	15.1
187.04042	3.1
187.07744	10.9
188.04774	8.5
189.05595	2.2
189.09204	7.9
190.02734	3.6
197.06050	2.9
199.07614	2.1
200.04790	9.4
201.05571	9.0
201.09195	10.1
202.06404	3.4
203.07187	23.4
204.04347	2.4
205.03549	8.9
205.08754	10.6
211.04045	6.1
213.09235	2.8
216.07903	2.7
217.08720	27.8
223.04628	28.5
225.05519	7.9
226.06290	2.7
227.07089	2.5
228.07976	2.9
228.40262	1.7
229.08733	35.3
237.05684	2.3
239.10849	3.3
240.07915	2.8
241.08730	3.7
247.09773	7.5
251.07147	3.1
252.07861	3.1
255.10294	7.0
257.11859	6.9
265.08704	1.9
270.09088	2.1
281.11896	9.7
283.09772	3.1
288.06619	2.4
294.08957	3.5
297.11368	8.1
299.12854	9.7
323.12875	27.1
341.10229	2.6
367.11987	43.1
385.13028	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	385.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88825	0.9
54.64158	0.8
55.01900	2.2
57.03463	24.5
59.01389	10.0
61.07994	0.8
67.01920	1.5
68.99804	1.5
69.03474	4.2
71.01405	5.3
72.99327	1.5
76.03664	0.9
77.03967	1.2
80.25311	1.0
81.03472	12.6
83.01398	21.7
83.05045	1.5
84.02193	1.2
85.02966	31.3
89.02486	1.2
93.03476	5.5
95.01383	1.3
95.05042	12.4
97.02958	14.7
99.04521	6.3
101.02453	4.5
107.05047	5.3
108.02196	1.3
109.02975	9.9
111.00888	14.0
120.02139	2.1
121.02947	14.7
122.03736	5.1
123.04549	5.7
124.01639	5.6
125.02449	62.9
129.01932	9.5
131.05025	2.6
133.02965	2.1
135.04512	7.9
135.08183	1.3
136.48000	1.0
137.02451	100.0
137.80386	1.1
138.03233	1.2
139.04002	4.7
145.06548	2.0
146.03758	42.7
147.03032	1.6
147.04521	2.6
149.02449	2.4
149.06099	6.0
150.03250	1.8
151.04005	8.7
154.02745	1.3
157.06549	4.2
158.03761	1.6
159.04506	12.8
160.05305	2.5
161.06087	5.6
163.00352	1.8
163.03889	1.1
164.01178	36.2
165.01939	81.4
167.03519	35.7
167.04910	2.4
171.04501	1.5
171.08060	1.1
172.05296	11.6
173.06094	25.4
174.03256	18.0
174.06854	10.0
175.03973	5.1
175.07658	45.1
176.04784	13.8
177.01985	12.1
177.09094	1.3
179.03505	13.1
185.06096	2.4
186.06886	4.1
187.04033	6.3
187.07654	10.6
188.04762	6.5
188.08347	1.8
189.05585	2.0
189.09245	6.6
190.02780	7.6
191.03471	2.4
191.07164	2.2
197.06026	1.7
199.04034	1.4
199.07631	2.6
200.04831	7.4
201.05624	9.5
201.07692	1.0
201.09262	11.8
202.06361	5.8
203.07181	16.0
204.04298	4.1
205.03531	10.7
205.08705	8.4
211.07671	2.2
212.04980	1.8
213.09264	4.1
215.07095	4.4
216.07872	2.0
217.08720	31.2
223.04636	36.6
223.09718	1.3
225.05554	8.0
226.06335	5.7
227.07193	2.6
227.10750	1.5
229.08722	30.5
229.12238	1.6
230.19823	1.2
237.05539	1.4
237.09361	1.7
239.07159	5.5
239.10782	4.6
240.07889	1.6
241.08746	7.2
244.07492	1.5
247.09761	7.9
251.07137	6.4
252.07925	1.2
254.05873	1.6
254.09549	1.2
255.10236	6.3
257.08087	1.3
257.11813	6.4
265.08670	2.1
268.07297	2.5
270.09003	2.5
281.11932	9.7
283.09726	5.6
288.06558	1.3
294.09055	2.1
295.10144	1.3
295.13376	1.1
297.11371	6.7
299.12808	9.2
323.12958	22.5
341.14023	2.4
349.10858	4.8
367.11893	37.4
385.12909	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	385.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	21.7
57.19188	1.8
59.01410	8.3
63.12912	1.9
65.03981	2.0
69.03471	2.3
69.74680	1.7
81.03471	9.4
83.01390	19.5
83.05080	2.1
85.02963	27.8
87.01554	1.8
92.10203	2.6
93.03466	3.2
95.05051	9.8
97.02970	12.9
99.04513	8.0
107.05043	4.5
108.02267	2.0
109.02966	10.8
111.00906	8.8
121.02975	8.5
122.03786	3.4
122.59265	1.9
123.04552	2.2
124.01662	4.5
125.02457	64.6
129.01988	4.7
135.04483	7.4
137.02454	100.0
137.03505	3.7
138.67564	2.0
139.03995	2.4
146.03760	32.5
147.04524	3.1
149.06090	4.1
151.03992	4.7
159.04512	12.7
160.05379	2.3
161.02493	2.9
161.06128	2.6
164.01166	30.9
165.01932	72.8
165.03236	3.8
167.03505	24.2
172.05309	4.7
173.06096	19.5
174.03239	19.5
174.06853	9.3
174.61197	2.0
175.04062	2.8
175.07637	46.7
176.04799	11.8
177.01993	9.3
179.03485	16.5
185.05968	2.8
186.06801	4.6
187.04105	7.9
187.07683	12.4
188.04729	2.9
189.09270	4.0
190.02776	9.7
200.04776	7.8
201.05643	7.0
201.09264	4.2
202.06342	3.2
203.07191	19.3
205.03612	12.2
205.08702	4.8
213.09268	3.5
217.08728	23.4
223.04642	36.2
225.05539	8.1
226.06413	4.3
229.08740	31.1
235.07568	2.4
239.07135	2.2
239.10808	3.4
241.08727	3.7
242.00468	1.9
244.07431	2.4
247.09668	7.4
251.07088	3.3
257.11920	3.4
268.07474	3.9
270.09082	2.7
281.11877	6.9
283.09805	4.6
297.11313	4.1
299.13065	7.5
323.12888	21.6
327.82034	2.0
361.10889	2.1
367.11929	34.4
367.39755	2.8
385.12991	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	5.7
57.03450	16.9
59.01374	10.1
71.01385	10.8
72.99327	3.6
73.02956	1.9
75.00887	4.7
83.01372	9.5
84.02185	0.9
85.02953	83.9
87.00891	5.0
90.79990	1.0
92.10145	0.8
93.67577	0.8
99.00861	1.2
101.02428	8.5
111.00878	38.5
115.31592	0.9
125.02455	1.3
129.01941	23.6
135.04503	6.4
147.03001	5.1
161.04547	2.1
179.03448	1.2
187.02495	1.4
189.07306	0.9
193.07185	4.5
205.03545	32.0
223.04613	100.0
299.80005	0.9
384.49893	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1147
Annotation	1-O-b-D-glucopyranosyl sinapate
Peak:m/z	Relative Intensity
52.68380	0.4
54.82982	0.4
57.03477	0.9
59.01384	17.0
65.45850	0.4
71.01378	6.6
77.91267	0.4
83.01408	0.6
85.02967	4.9
86.10269	0.4
87.00896	2.0
89.02454	5.9
90.73736	0.5
91.01907	1.9
93.03457	0.8
95.01433	0.6
101.02454	2.8
107.16344	0.4
111.00913	1.0
113.02470	2.1
118.05174	0.5
119.01376	6.6
119.03496	0.8
121.02994	0.7
123.04530	2.0
129.01935	0.8
147.00877	4.3
149.02448	6.9
150.65056	0.5
161.02356	0.5
162.03233	0.9
163.03964	0.6
164.04791	6.4
165.01929	2.1
175.00381	46.5
179.07272	0.7
187.07584	0.6
189.01956	0.9
190.02739	100.0
191.03232	2.1
205.05090	95.6
206.05739	0.9
207.03136	0.5
208.03761	0.7
217.08875	0.9
221.08241	1.1
223.04520	3.3
223.06331	12.4
232.03723	0.8
247.06131	4.2
258.85794	0.4
265.07184	3.0
276.32098	0.5
325.09308	1.9
367.10712	0.5
385.11523	6.9
385.16199	0.7
405.93527	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1297
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08529	1.4
54.74127	1.5
57.03466	21.2
58.37437	1.5
59.01386	4.5
60.99924	2.1
69.03475	4.2
71.01392	3.3
74.58256	1.7
81.03464	13.0
83.01397	18.5
85.02960	22.2
93.03457	4.6
95.01405	3.8
95.05030	10.8
97.02959	13.8
99.04557	8.4
104.80476	1.7
107.05042	7.4
109.02955	13.4
111.00907	8.9
121.02932	13.0
122.03742	9.2
123.04525	4.1
124.01653	2.5
125.02445	73.2
129.01901	3.1
135.04578	7.7
137.02443	100.0
137.03500	3.4
139.04034	6.9
145.02933	1.9
146.03745	39.3
149.02417	2.8
150.03151	2.1
151.04012	7.8
159.04500	16.2
160.05302	3.0
161.06145	3.3
163.07751	2.0
164.01193	32.8
165.00510	2.7
165.01944	80.7
167.03525	35.1
172.05313	9.0
173.06093	23.2
174.03290	16.1
174.06874	7.0
175.04024	3.7
175.07649	56.4
176.04776	13.4
177.01926	12.7
177.09204	2.2
179.03513	15.3
185.06097	3.4
186.06815	3.7
187.04016	4.2
187.07671	14.0
188.04805	7.0
189.09212	8.7
190.02696	10.5
191.07188	3.1
200.04785	10.2
201.05540	7.7
201.09268	8.0
203.07202	18.3
204.04233	3.0
205.03537	11.3
205.08701	10.0
212.04816	3.5
214.06439	2.0
215.07274	2.9
217.08743	29.2
223.04640	26.8
225.05579	3.9
226.06294	4.4
227.07141	4.0
229.08722	32.0
239.07140	4.0
239.10858	4.3
241.08725	8.7
247.09796	10.1
247.80725	1.9
251.07161	3.4
252.08084	2.6
255.10301	3.3
257.11932	6.9
262.65802	2.0
268.07584	3.3
273.11392	2.6
279.10382	2.0
281.11798	8.3
283.09778	7.5
294.08978	6.7
297.11115	6.0
299.13086	13.6
323.12955	26.3
341.13916	2.8
349.10977	2.5
367.11877	39.0
385.12927	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	385.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02673	0.7
55.01898	4.9
57.03455	18.7
57.40494	0.6
59.01390	9.3
66.04907	0.6
68.99853	0.7
71.01386	7.3
72.99327	3.7
73.02932	1.6
75.00895	4.8
83.01399	7.2
85.02956	70.7
87.00882	3.2
92.10782	0.8
96.96011	9.5
101.02428	8.3
110.39691	0.8
111.00891	34.9
119.05031	1.5
126.78450	0.8
129.01949	24.6
135.04535	5.0
143.58347	0.8
147.03030	4.1
161.04564	1.3
163.02538	1.7
163.03909	0.8
177.01955	6.8
187.02481	1.2
204.29097	0.9
205.03583	30.5
205.93727	0.9
223.04639	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	383.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54665	0.8
57.03459	1.9
58.00599	1.3
59.01387	91.7
62.90886	1.0
67.12650	1.0
71.01386	13.9
72.99330	2.0
73.02955	9.8
83.05042	6.5
85.02957	17.4
89.02447	11.0
91.05573	1.6
93.07103	5.6
101.02435	6.1
103.04018	7.6
119.05021	1.9
123.08112	1.0
124.01685	1.1
133.10239	7.2
137.77220	1.1
144.05894	0.9
145.06599	13.4
152.48701	0.8
157.10274	2.0
158.07408	1.7
159.08163	7.6
160.08960	78.7
173.09718	13.5
175.11305	98.5
219.10306	100.0
250.79919	1.3
383.17175	39.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.3123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73455	2.7
59.01384	100.0
64.47785	2.5
106.95822	3.6
112.98582	3.6
113.56461	2.9
124.27671	2.8
180.30956	3.3
204.58430	3.3
299.23398	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	383.1564
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32782	0.4
54.59478	0.4
55.01873	0.6
57.03463	1.2
59.01385	53.1
71.01388	17.1
71.05025	7.4
72.99284	0.5
73.02961	0.9
75.00892	0.5
75.55521	0.4
77.07555	0.4
83.01415	0.9
85.02960	10.0
87.00883	0.7
87.04517	3.8
89.02451	20.5
95.01392	0.6
96.96022	1.0
99.04522	17.4
101.02463	9.3
101.06094	6.5
105.03449	0.9
113.02460	6.2
113.06125	1.3
115.04013	9.6
115.07661	6.9
117.05588	15.2
119.03499	8.8
123.04554	0.8
129.01944	1.1
133.02971	8.2
143.03474	0.8
159.06631	0.8
161.04613	5.0
161.08206	100.0
177.01974	2.0
179.05624	7.4
205.03445	1.0
221.33665	0.6
301.42596	0.6
323.17172	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	383.1565
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	0.7
55.20390	0.4
57.03457	3.4
57.80993	0.5
58.00601	0.6
59.01382	54.6
60.02460	0.4
60.81803	0.5
61.04359	0.5
71.01385	18.3
71.05021	7.2
72.99284	0.6
73.02927	0.8
83.01387	0.8
84.24549	0.5
85.02943	10.5
85.03400	0.7
87.00887	0.6
87.04503	3.7
89.02438	19.5
90.37957	0.4
92.10665	1.0
95.01377	1.2
96.96059	0.6
99.04517	20.2
101.02441	10.0
101.06085	8.2
105.03468	2.1
111.00935	0.8
113.02451	5.7
113.06069	0.9
115.04017	9.3
115.07671	6.3
117.05589	17.7
119.03498	8.5
123.04498	0.8
129.01910	0.7
133.02943	6.5
133.84039	0.7
141.05600	1.0
143.03508	0.8
159.06630	0.9
161.04547	2.5
161.08203	100.0
177.01852	1.2
179.05608	9.1
205.03549	2.1
323.17188	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	383.1562
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93353	0.4
55.01892	0.7
57.03460	3.0
59.01389	35.6
61.98848	0.8
64.49094	0.5
67.52193	0.4
71.01385	10.3
71.05029	7.7
72.99319	0.5
78.56173	0.5
82.95440	0.6
83.01403	2.0
85.02951	12.5
87.04527	4.4
89.02447	13.1
95.01421	0.6
95.05042	1.1
99.04517	22.5
101.02435	7.5
101.06087	8.6
105.03457	3.3
111.00905	2.2
113.02459	3.5
113.06076	2.7
115.04015	10.3
115.07623	4.6
117.05579	19.6
119.03489	4.4
123.04533	1.0
128.28983	0.5
129.01941	2.8
131.07150	0.8
133.02957	11.1
141.05626	0.8
159.06618	0.6
161.02461	20.1
161.04539	2.3
161.08202	100.0
162.08534	0.8
177.01956	2.5
179.05602	5.9
203.09378	0.6
205.03563	2.5
233.27806	0.5
323.17062	1.2
324.58060	0.5
397.35672	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1477
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03473	8.5
59.01397	89.8
84.45087	11.3
85.02968	22.6
87.00896	59.6
92.55837	12.0
101.02544	10.1
114.40712	10.9
123.04504	11.0
133.02980	19.5
175.04010	43.7
175.07674	16.1
181.05460	10.8
190.06435	87.7
201.09247	53.8
219.10277	82.5
221.08179	11.3
351.11069	13.7
365.12436	14.7
383.13477	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	383.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.9
59.01381	6.0
59.08057	0.7
65.03936	0.7
68.08448	0.7
70.18804	0.7
71.01392	1.1
73.02954	0.7
83.05078	0.8
83.28601	0.7
85.02943	2.6
87.00876	24.8
91.05509	1.7
93.03450	6.8
95.05011	1.3
97.06583	18.7
105.03472	3.1
107.05033	25.2
108.02186	0.7
111.04491	3.2
112.05309	21.5
119.05016	2.8
121.02955	76.4
122.03743	18.0
123.04539	3.5
129.01874	0.7
133.02924	1.0
135.04495	2.5
136.01552	0.7
137.02448	4.6
139.04004	2.7
143.05057	1.7
146.03752	2.8
147.04532	35.5
148.05334	9.3
149.02409	3.2
163.04036	20.5
164.04784	12.2
165.05588	1.4
172.05374	1.2
175.07632	1.1
178.78151	0.7
191.03548	11.1
192.04329	9.2
201.09259	10.3
219.10258	4.3
221.51868	0.7
254.04172	1.0
291.08713	1.2
323.11453	15.5
351.10904	6.2
383.13547	100.0
384.14355	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.1355
Annotation	Spicatolide G
Peak:m/z	Relative Intensity
56.72446	0.6
57.39716	0.6
58.01157	0.7
59.01383	7.0
81.03456	0.7
83.05038	1.7
83.51519	0.7
87.00867	21.4
87.01362	1.0
91.05549	1.3
93.03451	7.1
95.05028	1.1
97.06585	50.3
105.03470	3.1
107.05033	13.3
108.02158	0.7
109.02953	0.8
109.79049	0.8
111.04525	6.0
112.05299	4.0
112.67017	0.7
113.06143	1.1
119.05058	3.6
121.02949	92.9
122.03749	31.5
123.00887	1.4
123.04533	7.8
135.04524	3.9
137.02460	3.2
139.03996	1.2
147.04533	36.9
148.01656	0.8
148.05318	14.4
149.02478	1.9
149.06070	2.9
161.07635	0.7
163.04024	23.7
164.04810	12.5
165.05562	3.8
185.11835	7.5
191.03513	12.4
192.04320	7.4
193.05064	0.8
201.09187	2.7
211.13121	0.8
217.08644	1.8
219.10301	5.3
230.65953	0.8
255.59108	0.8
261.11276	2.8
289.10776	1.7
291.08856	1.3
307.12009	1.1
323.11426	14.5
351.11020	5.9
365.12384	0.9
383.13544	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	383.0778
Annotation	Decaketide tricyclic intermediate
Peak:m/z	Relative Intensity
59.01404	6.5
65.99212	1.1
66.36337	1.1
69.53911	1.1
121.02955	100.0
145.03000	1.3
149.02510	1.8
181.06631	2.4
185.03105	1.5
187.10762	1.4
191.03534	7.2
202.85248	1.3
215.52397	1.4
225.05605	6.4
251.07213	5.0
295.06134	7.1
311.09427	8.8
313.07159	13.5
339.08755	10.6
383.07755	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	383.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03453	1.2
57.25649	0.8
59.01382	5.5
60.04565	0.7
62.26565	0.6
80.20868	0.7
82.95428	4.7
83.01382	1.2
83.81696	0.8
85.02954	5.2
87.00893	1.3
89.02491	1.0
95.01389	8.5
97.06599	1.9
105.03472	1.5
111.00897	1.2
113.02431	1.0
119.04997	0.9
123.00891	99.0
123.04522	1.4
124.01662	82.6
125.02522	0.7
129.01999	1.2
133.02977	8.8
147.04523	4.1
149.02428	1.5
149.06087	5.0
152.59248	0.8
159.04445	0.8
163.04008	8.8
164.04846	0.9
165.01875	1.1
165.05606	3.4
169.67581	0.8
173.02397	1.2
174.03195	1.9
176.04771	1.2
177.05583	100.0
178.06372	1.6
191.03520	21.7
193.08665	0.9
202.73276	0.8
203.07166	14.6
205.03569	1.7
205.08798	1.0
220.07420	18.9
221.08221	32.7
340.52786	0.8
383.13617	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	381.1328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.44511	6.0
59.01389	36.2
61.82421	6.2
78.95905	72.3
81.47790	6.7
87.00894	15.8
95.30962	6.7
100.71868	7.2
109.97506	6.5
128.36942	6.2
141.37859	6.3
152.99586	100.0
161.86841	6.9
183.10263	49.4
257.42242	8.2
273.46249	8.2
291.39471	8.1
321.18698	8.3
381.13214	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.1771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	13.5
57.03462	3.0
58.00603	1.6
59.01394	67.5
69.03468	1.8
71.01395	62.2
71.01778	2.5
72.99319	2.8
73.02959	33.4
80.59177	1.3
83.01392	18.8
85.02960	34.4
87.00883	31.3
87.04537	7.9
89.02435	12.8
95.01395	3.1
97.02937	1.8
99.00909	10.6
101.02448	78.9
111.00862	1.9
113.02464	24.4
125.02470	2.2
137.10971	1.3
143.03511	2.0
159.03059	1.9
159.10289	6.4
161.04549	15.6
176.95337	1.4
176.96848	1.4
247.15671	1.9
249.13464	83.6
287.46964	1.6
381.17737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.81970	0.7
59.01394	3.3
60.91721	0.6
73.37917	0.7
74.62833	0.7
102.86244	0.7
105.03988	0.9
118.37249	0.7
127.19025	0.9
176.05399	0.8
215.91763	0.8
299.20190	100.0
353.43661	0.8
381.20496	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	382.2966
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59438	0.6
53.77149	0.6
55.31805	0.7
57.07507	0.7
59.01387	100.0
162.39508	0.7
183.97675	0.6
190.19315	0.7
264.05273	0.7
322.27618	1.1
339.75348	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83250	1.0
55.01881	1.9
57.03458	13.0
59.01149	1.1
59.01378	10.8
68.99821	1.5
71.01383	37.1
71.01772	1.8
72.99316	2.6
73.02964	6.2
74.59815	1.1
83.01405	7.3
85.02953	14.5
87.00378	2.4
87.00870	26.7
87.89745	1.3
88.98823	1.1
99.00880	38.2
101.02454	2.0
111.00891	24.7
112.98810	100.0
113.02439	1.5
115.00394	4.9
124.98799	2.6
129.01949	18.2
133.96101	1.3
138.44730	1.2
142.99867	53.4
145.01443	2.8
147.20424	1.3
149.10439	1.4
173.00914	67.2
173.04482	1.3
178.94806	1.4
190.96532	2.1
191.01991	7.8
191.05634	21.9
209.06793	1.4
230.99385	1.3
250.93297	8.9
292.94348	1.8
347.02795	2.1
364.24316	1.4
364.92792	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	380.2813
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18271	0.8
59.01390	100.0
66.79898	1.0
67.97495	0.9
73.83286	1.0
121.02961	3.8
153.93442	1.0
164.49939	1.0
180.37686	0.9
217.00383	3.9
231.97183	1.6
268.41318	1.2
373.14438	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	381.081
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	0.8
59.01384	41.8
61.98825	1.2
71.01379	12.2
73.02931	1.6
80.91705	3.6
83.01404	1.4
85.02967	5.3
87.00867	0.7
87.04544	0.7
89.02440	8.2
93.03452	58.9
95.01376	0.8
96.96029	1.0
99.00930	0.9
101.02452	7.6
108.92176	0.7
110.96268	0.8
113.02454	5.3
116.92847	1.1
119.03499	1.7
133.21582	0.9
137.02448	100.0
151.02548	1.1
159.00595	1.1
159.03053	0.9
161.02443	1.1
161.04579	1.5
163.13162	0.8
177.00423	1.9
177.01810	1.4
219.01445	3.9
219.12448	0.8
273.41888	0.9
299.07809	6.4
321.05844	5.0
321.15695	5.9
381.17590	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	381.096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43049	5.1
56.94580	5.3
59.01383	100.0
59.94087	5.0
61.98829	8.3
71.01373	12.5
76.58501	6.7
89.54928	7.3
95.90749	6.0
95.94136	6.3
101.02466	9.9
113.02403	8.1
154.01456	7.5
202.06271	11.5
292.33087	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	381.1323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90680	5.3
53.37563	5.7
55.21992	5.9
59.01383	100.0
71.01394	12.9
87.00867	34.8
89.02477	6.2
103.82580	6.3
118.90654	6.4
175.03934	7.7
183.10248	26.4
347.44370	7.0
381.12454	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	379.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82557	0.7
55.98583	0.5
59.01385	100.0
61.98838	0.6
65.05355	0.7
65.16829	0.5
81.03326	0.6
92.10830	0.8
93.03445	0.7
130.58636	0.7
156.08395	0.6
156.90260	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59196	58.6
58.06815	65.7
58.19795	66.8
74.47532	75.4
77.99744	95.5
117.56995	84.9
132.37193	71.1
137.94807	83.5
158.80194	84.4
243.12862	87.1
318.24481	100.0
347.01715	88.7
396.99817	87.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	0.9
57.03454	1.1
59.01386	100.0
63.92849	0.8
66.87175	0.8
71.01381	16.3
73.02936	5.9
78.95883	1.3
83.01393	1.7
85.02969	6.7
87.00856	0.8
89.02447	0.8
93.42260	0.8
95.01383	0.9
99.00909	3.3
101.02436	13.3
101.10316	0.8
109.36639	0.8
113.02473	7.1
121.50839	1.0
124.42765	1.1
135.04485	1.6
152.99605	1.6
161.04590	14.4
169.40651	0.9
189.06366	0.8
230.10811	1.0
319.17664	26.8
330.54404	1.0
379.19431	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1983
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
57.03462	0.8
59.01392	100.0
71.01394	14.2
73.02966	5.6
79.85934	0.7
83.01402	1.0
85.02964	8.7
87.00912	0.8
89.02441	1.2
99.00922	1.6
101.02441	9.0
107.05073	1.0
113.02489	5.6
114.39236	0.8
116.68575	0.8
125.02405	0.7
135.04556	1.2
152.99619	1.1
159.03003	1.5
161.04584	14.2
179.60922	0.8
181.35193	0.8
230.92380	0.8
259.62100	0.9
319.17682	20.0
379.19449	1.0
401.21219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1613
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86090	0.5
55.30633	0.6
57.47346	0.5
58.00592	0.6
59.01385	100.0
61.98832	1.2
71.01384	16.6
72.99332	0.6
73.02966	2.8
83.01412	2.5
83.05033	1.3
85.02950	6.6
85.06589	0.9
87.00908	0.8
89.02444	13.8
92.10666	0.8
95.01396	0.9
101.02452	12.4
111.08232	0.5
113.02457	6.9
115.99835	0.6
119.03484	5.7
125.14967	0.6
131.07141	6.3
135.04550	0.8
137.09698	6.5
154.01405	1.0
155.07141	1.1
155.10786	20.1
156.86450	0.6
157.08713	14.9
161.04570	4.0
167.44696	0.7
171.08870	0.6
181.08742	2.8
199.09789	23.4
217.10806	2.6
220.94286	0.7
247.04738	0.6
247.08054	0.5
319.14026	16.8
321.64377	0.6
341.81299	0.8
370.12567	0.6
374.37402	0.8
379.16162	40.8
388.13937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26506	0.4
57.03450	0.9
57.24738	0.5
59.01385	100.0
60.78503	0.5
61.98845	4.1
68.24345	0.6
71.01376	7.0
72.99311	1.5
73.02956	1.3
81.22018	0.5
82.95435	0.8
85.02957	2.5
87.00896	0.7
88.98804	3.5
89.02439	7.8
95.01411	0.8
101.02454	3.8
111.00907	1.0
111.99612	6.5
112.99963	3.3
113.02466	3.6
113.99313	1.1
119.03522	2.6
135.04501	0.9
155.98651	6.3
155.99742	0.7
156.98927	3.3
157.08711	14.6
157.57370	0.6
157.98289	3.2
161.04588	0.8
163.02443	1.1
319.13977	17.7
331.12744	0.7
366.61795	0.6
379.16055	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	379.1616
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61285	0.6
55.69407	0.5
56.32697	0.5
57.03459	0.7
59.01395	100.0
60.12925	0.4
60.99326	3.7
61.98859	1.3
71.01398	4.8
72.99330	0.6
73.02961	1.1
75.24294	0.6
76.05594	0.5
83.01389	0.9
85.02975	2.2
85.06578	5.0
87.00903	1.1
88.57950	0.5
88.98813	24.5
89.02473	2.4
99.81004	0.6
101.02460	1.3
113.02461	2.9
119.03526	0.8
122.03754	3.3
125.02434	0.7
127.07733	0.5
131.07162	16.8
135.04591	0.6
136.05315	2.4
137.06085	0.9
154.02808	0.7
155.07176	2.9
157.08716	8.7
161.04532	1.1
175.03955	0.6
179.05696	0.7
180.04327	3.2
181.08723	55.2
182.09001	0.7
184.70070	0.5
217.10863	0.9
319.14194	1.1
343.10385	1.8
343.14136	7.4
379.16196	0.9
379.23447	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1047
Annotation	Unknow
Peak:m/z	Relative Intensity
58.73507	0.2
59.01385	1.7
61.98833	100.0
65.12134	0.2
66.53545	0.2
67.95483	0.2
71.01378	0.4
77.99608	0.2
83.05412	0.2
83.10708	0.3
84.31532	0.2
96.95998	2.2
96.96957	0.3
123.04535	0.6
142.18886	0.3
142.22557	0.3
146.80287	0.3
147.67804	0.3
153.05534	1.2
156.06651	0.5
157.05022	0.4
177.01895	0.4
178.02260	0.5
215.52812	0.3
286.12726	0.3
348.98801	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50084	0.1
59.01385	8.1
59.87078	0.1
61.98834	4.0
65.99874	0.2
71.01377	1.0
72.99311	0.2
73.02948	0.3
77.97184	0.1
83.01383	0.2
83.05074	0.2
85.02949	0.7
85.06599	1.3
89.02447	0.9
89.03009	0.1
95.01371	0.2
101.02452	0.8
111.00892	0.2
113.02443	1.2
119.03539	0.2
121.32915	0.2
123.00868	1.3
124.01656	5.4
125.02439	0.2
127.92344	0.1
131.07150	4.3
134.90050	0.1
135.04604	0.1
153.00687	3.0
154.01474	100.0
155.01823	0.7
155.07133	1.2
157.08688	1.0
179.05612	0.3
214.69177	0.2
247.04550	0.6
263.65869	0.2
316.06781	24.9
317.07291	0.3
319.14111	0.4
379.23441	0.3
391.82874	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
58.11516	0.3
58.66005	0.3
59.01388	11.1
60.99318	17.4
71.01400	0.8
72.99311	1.3
77.42206	0.3
85.02962	0.6
88.98810	100.0
89.02455	0.8
95.08668	0.5
96.74459	0.3
101.02457	0.6
101.54746	0.3
109.02943	0.4
113.02437	0.6
123.04488	0.4
135.04547	6.8
137.06113	0.4
157.08755	0.5
157.86813	0.3
179.03546	0.6
181.05130	2.9
205.01595	0.4
222.16551	0.4
289.07181	0.6
319.13937	0.8
343.10193	0.5
379.16092	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	377.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	23.3
61.98830	5.7
70.40630	3.5
82.59047	3.9
85.02568	3.4
128.76332	3.7
133.93724	3.9
140.56500	4.1
156.22379	3.7
195.13960	24.1
277.21768	21.3
295.22864	100.0
297.61826	4.7
317.20996	42.6
377.23044	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	377.2662
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33737	0.5
56.64064	0.4
59.01394	5.3
60.01751	0.6
61.98833	100.0
87.00901	1.0
99.72940	0.5
111.95195	0.6
112.41273	0.6
119.05073	2.0
124.86763	0.5
163.04012	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.0474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32469	1.0
59.01389	1.3
61.72083	1.0
61.98837	77.6
63.40719	1.1
66.52631	1.2
73.84471	1.0
79.27592	1.3
92.10019	1.1
101.47845	1.1
108.02134	1.8
141.21274	1.5
148.01697	1.6
163.69960	1.2
227.03551	1.9
243.02954	9.6
254.02164	1.2
255.03040	26.5
271.02539	59.4
300.02823	100.0
315.05170	72.6
326.56979	1.3
332.54489	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	378.0681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28703	0.3
59.01385	10.3
61.98837	100.0
71.01388	2.0
78.47205	0.5
78.95938	0.4
83.01381	2.0
85.02969	0.7
89.02476	0.7
93.06995	0.4
96.95993	4.3
100.31814	0.4
101.02464	0.5
109.02968	1.8
119.05019	0.5
125.02455	3.1
151.00421	4.9
152.00758	0.4
153.01944	39.6
155.07109	0.6
164.04285	0.7
177.01869	0.7
194.08942	0.4
195.02989	0.8
299.30972	0.4
315.07324	12.0
317.12555	0.9
318.12653	0.8
352.21979	0.5
396.16821	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97251	0.8
55.01890	4.1
57.03453	1.3
59.01384	100.0
71.01374	21.5
72.99319	1.8
73.02952	3.8
73.45268	0.9
78.98384	1.0
80.24963	1.0
83.01401	2.0
85.02957	8.8
87.00878	2.1
89.02452	10.5
89.02920	1.0
95.01404	1.4
96.95992	2.0
98.77746	0.9
99.00915	1.3
101.02433	11.9
104.44881	1.1
111.08166	27.4
111.08881	1.6
113.02452	9.7
119.03492	4.3
119.05025	3.9
123.78499	1.1
133.02965	5.9
135.04526	32.8
137.06104	13.0
155.07138	23.4
159.03119	1.1
161.02452	20.0
161.04543	5.9
163.04022	4.3
176.06291	1.1
179.03543	6.9
184.63899	1.1
235.00545	1.0
289.07013	1.1
317.12463	38.6
341.08865	7.1
377.08826	6.2
377.14410	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	377.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
56.78930	0.4
59.01388	100.0
61.98844	3.2
63.80808	0.5
71.01378	5.4
81.07103	4.7
85.02976	2.0
87.00888	1.1
89.02445	4.5
89.30593	0.6
93.07108	1.3
95.05027	0.6
96.96014	0.9
101.02465	2.3
103.13407	0.5
113.02460	3.3
113.06081	0.6
118.98063	0.6
119.03519	0.8
119.05038	2.1
122.00035	0.5
125.06055	0.9
125.43494	0.5
133.02962	1.3
135.04538	14.1
135.08017	0.5
137.06067	2.3
155.07170	40.6
161.02483	8.0
161.04538	1.1
163.04092	0.8
163.92224	0.5
177.01941	1.2
179.03500	5.6
179.07089	4.1
190.61523	0.6
197.08220	0.8
317.12430	0.8
336.07120	0.6
341.08856	5.4
377.14603	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.3071
Annotation	Unknow
Peak:m/z	Relative Intensity
54.75629	0.6
55.76697	0.6
59.01383	100.0
61.98833	1.4
74.19867	0.6
92.10782	2.1
119.05044	0.6
136.35385	0.6
138.32355	0.6
140.36900	0.8
157.12718	0.7
215.21228	0.7
247.42685	0.6
251.78326	0.7
354.10291	0.7
355.10858	0.6
390.64597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
58.58252	0.8
59.01388	3.8
60.99314	16.8
61.87026	0.9
85.08521	0.8
85.74846	0.8
88.98803	100.0
90.99241	1.3
119.04965	0.9
133.02927	1.9
151.00356	1.8
176.72348	1.1
184.27287	0.8
193.52303	1.2
197.92999	0.9
251.01472	1.0
267.99646	1.1
285.04233	6.5
287.04706	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	377.0537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.9
57.03450	8.3
57.33071	0.9
59.01387	4.2
59.50112	1.0
62.32592	0.8
64.34711	1.0
67.35292	0.8
71.01369	4.3
72.99299	1.3
73.02942	13.0
75.02576	2.1
83.01392	23.4
85.01038	5.2
85.02934	1.2
87.00915	1.3
94.02976	5.8
96.96005	6.2
96.96958	1.5
99.00877	8.9
99.02610	1.3
101.02437	13.4
111.00890	17.8
112.98806	17.0
113.00498	2.4
115.00364	4.0
115.02078	4.0
125.02434	1.4
127.00370	46.1
127.01966	7.4
138.01968	2.0
139.02367	1.4
141.03699	1.1
142.99849	1.3
143.01564	1.1
145.01447	14.5
154.99878	4.0
155.01550	1.2
157.62961	1.0
162.99547	1.0
163.02571	1.2
171.01102	4.1
171.03198	1.0
173.00919	1.1
189.02138	8.7
203.03746	5.9
217.01517	1.9
231.03194	47.5
239.93188	1.2
267.12827	1.1
345.02792	5.6
377.05389	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	377.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72832	3.8
57.03452	4.0
59.01382	49.2
59.40494	3.0
59.64201	3.4
71.01369	32.8
78.95899	6.7
83.01392	6.1
89.02434	43.0
96.96946	5.4
101.02441	23.9
111.00871	17.9
113.02440	16.6
119.03510	14.7
124.33624	3.5
126.63299	3.9
127.00381	17.6
144.38614	4.4
145.01428	6.3
178.44878	4.1
179.05586	16.6
185.02197	5.2
187.17746	4.1
205.17969	4.2
215.03365	15.2
222.49767	4.6
231.03133	14.8
253.23643	4.0
255.61539	4.0
261.74982	4.7
341.10916	100.0
345.02222	4.7
377.05038	26.1
377.09265	65.9
380.81354	4.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1457
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69634	0.6
58.16507	0.7
59.01388	100.0
61.98834	1.7
67.29537	0.7
71.01389	5.9
73.02962	1.2
78.95915	0.9
81.07101	3.7
83.01398	0.6
85.02955	2.6
87.00880	0.9
88.98850	1.0
89.02469	3.9
101.02465	2.9
103.24120	0.7
113.02448	3.4
119.03478	2.5
119.04961	1.1
120.20885	0.8
125.06086	45.5
130.88725	0.7
135.04506	1.1
146.10048	0.7
149.06052	0.8
153.09172	0.9
155.07166	45.2
161.04506	1.5
169.08690	0.9
171.10246	2.7
179.00952	0.9
179.07176	0.9
197.08173	2.9
200.29921	0.7
215.09302	3.0
230.48572	0.7
252.45889	0.7
298.94485	0.7
317.12445	1.6
377.14566	1.7
377.21890	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	375.1854
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82813	0.7
69.21541	0.7
74.99081	1.5
78.95911	0.7
90.90314	0.8
92.10777	0.9
93.00144	1.2
106.46221	0.7
126.41277	0.8
148.48422	0.7
149.00909	0.9
159.08478	12.9
161.06422	3.9
166.36369	0.8
209.01263	1.7
235.15781	0.8
252.51630	0.8
277.07584	3.3
279.23227	6.0
291.09140	94.3
309.10129	1.8
357.13785	1.5
359.15433	100.0
375.18591	6.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1943
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26376	1.0
53.94681	1.1
54.72889	1.1
59.01397	12.6
63.52221	1.0
75.00879	3.1
113.67246	1.2
114.40408	1.3
140.28806	1.7
211.18903	1.3
277.21750	100.0
278.22028	1.6
279.49475	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
56.38972	76.6
59.01411	91.4
63.25998	75.7
67.32460	70.2
76.36376	75.1
155.97092	100.0
234.09137	86.9
383.70306	85.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
57.71592	0.5
59.01387	100.0
146.65700	0.6
173.25124	0.6
179.92050	0.6
187.44008	0.7
191.16638	0.6
211.11664	0.6
262.86072	0.7
291.06433	0.7
323.53955	0.6
332.58865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.0888
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	1.9
67.88780	0.3
78.46399	0.2
78.95905	0.3
79.11899	0.3
83.01391	0.6
83.17151	0.3
83.17696	0.2
84.70454	0.3
94.02983	100.0
95.03294	0.3
96.95998	1.3
97.34084	0.3
98.50259	0.2
99.00853	0.4
101.02431	0.3
111.00846	0.4
112.98831	0.5
117.02176	0.3
127.00369	0.7
138.01984	46.2
142.99866	2.7
170.04608	5.4
173.00896	0.6
202.07217	1.0
219.64175	0.3
227.12561	0.3
230.03441	0.6
275.11478	0.3
373.04697	0.3
376.05698	1.9
377.05176	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	5.6
57.03457	2.1
58.00600	1.3
59.01386	63.2
65.04223	0.8
66.70584	0.8
68.90170	0.7
69.03468	1.6
71.01383	37.0
72.99316	2.0
73.02958	5.2
76.66529	0.7
83.01409	3.3
85.02952	11.5
87.00874	1.3
89.02441	24.4
94.04256	1.8
95.01400	1.4
95.05029	7.2
97.06607	3.3
98.03736	14.8
99.00862	1.3
99.08145	1.4
101.02434	13.7
107.05031	10.9
113.02455	10.7
113.09750	1.2
119.03510	7.5
135.08162	1.1
149.09737	6.1
151.11301	100.0
154.10031	1.9
154.22508	0.8
161.04594	1.4
169.12334	17.2
173.17735	0.8
179.05458	0.9
189.90048	1.0
195.10284	87.7
200.46835	0.8
207.51578	0.8
242.82745	0.9
302.05972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1791
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	14.6
59.03982	0.6
61.98836	9.0
65.73772	0.7
65.74173	0.7
71.01385	7.4
76.06411	0.7
77.69544	0.8
80.91681	10.3
89.15166	0.8
174.99260	4.0
177.09152	6.3
190.10141	0.8
192.11613	11.3
205.12360	3.6
207.13968	1.1
217.00363	6.4
218.09505	1.3
220.14740	45.3
221.15517	100.0
235.13440	1.3
236.10580	78.3
253.23154	0.9
293.17661	27.2
302.29391	0.9
353.58963	0.8
375.17932	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	375.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73952	2.0
52.30389	1.9
55.50499	1.8
59.01397	4.7
66.90774	2.3
78.95890	2.8
79.15026	2.0
88.47052	1.9
130.41534	2.1
149.36798	2.3
158.38315	2.1
159.08534	5.4
161.06465	2.5
213.91278	2.2
213.93413	2.1
218.12479	2.1
228.69121	2.4
277.07590	2.8
291.09158	88.6
346.79822	2.1
357.13950	3.2
359.15439	100.0
359.19766	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1666
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09525	0.5
51.79808	0.5
55.01891	6.6
57.03454	6.7
57.65407	0.5
58.00608	2.6
59.01387	100.0
63.40208	0.5
71.01384	44.6
72.99321	3.5
73.02946	7.9
74.75946	0.6
75.00899	0.7
83.01379	8.6
85.02460	0.8
85.02959	18.8
86.00135	0.6
87.00878	4.1
89.02446	29.4
95.01389	3.8
99.00902	3.2
101.02451	28.9
109.02973	0.9
111.00861	0.6
113.02467	14.7
114.38377	0.6
119.03505	12.1
125.02462	2.2
129.01942	2.4
135.04562	0.7
137.02414	2.8
138.02005	0.6
149.04494	0.7
152.07188	6.1
153.07497	6.0
153.09286	1.2
161.04578	3.8
164.69182	0.6
166.01469	1.1
167.02196	0.9
169.12317	2.7
177.05505	0.7
177.09245	5.4
179.05646	2.3
195.10275	1.2
196.01283	10.5
196.99333	0.6
197.02069	14.6
210.99985	0.7
212.08151	0.8
213.01616	10.7
228.00235	3.2
236.02661	0.6
255.02632	2.6
267.02679	0.8
315.04837	0.8
357.15686	18.3
375.06882	38.2
375.16629	72.3
376.07138	1.0
376.16898	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01885	2.6
56.97553	0.9
57.03471	1.5
58.00611	1.6
59.01385	100.0
66.37453	1.1
71.01382	39.8
72.99326	2.3
73.02962	5.7
83.01407	4.9
85.02956	11.6
87.00878	1.9
89.02439	37.1
92.10219	1.6
95.01383	1.5
101.02435	25.2
102.28961	1.2
109.79028	1.1
113.02450	14.4
113.06021	1.2
119.03499	16.2
142.70288	1.2
143.03520	1.8
160.27997	1.3
177.09253	1.4
179.05664	2.6
191.05859	1.3
230.30408	1.2
240.01344	1.3
253.25652	1.4
275.89316	1.4
320.02994	1.3
357.15506	4.7
375.16611	50.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01905	1.6
57.03462	2.2
57.06613	1.0
57.48893	1.2
57.59062	1.0
58.00611	5.7
58.29288	1.1
59.01383	86.0
67.01910	1.2
71.01377	42.7
72.99313	2.6
73.02965	2.4
76.68993	1.1
78.95905	13.3
80.34421	1.4
83.01389	2.4
85.02940	10.7
87.00891	7.8
89.02442	53.3
95.01341	1.9
96.96003	100.0
96.96931	22.9
99.00870	2.3
101.02438	18.7
102.14094	1.2
108.02168	2.2
109.02967	3.1
111.00863	12.5
113.02447	15.1
117.03463	10.2
119.03512	20.8
119.05032	5.1
121.02969	2.6
122.03723	1.4
123.04540	7.6
125.02463	5.9
133.02962	2.9
134.03725	5.3
135.04520	5.7
143.03529	2.7
145.02959	42.5
146.03751	15.6
147.04523	11.1
149.02437	2.0
149.06110	1.5
150.03221	7.8
153.01947	19.0
153.05617	1.7
161.02452	49.8
161.04521	3.1
162.03236	60.5
163.04002	2.5
165.05568	8.0
169.01427	2.6
173.00798	1.8
173.17430	1.4
177.05557	24.5
179.05600	7.2
180.04301	10.8
195.06616	12.3
213.07738	6.5
233.10907	1.5
241.88593	1.5
248.53702	1.4
253.08307	1.3
321.80084	1.4
357.11987	7.0
376.05609	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	375.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00175	0.6
57.03466	1.6
58.00612	2.1
59.01395	56.5
67.01900	0.9
69.03467	1.1
71.01392	26.6
72.99324	4.3
73.02958	1.1
78.95915	18.1
78.96326	1.2
83.01375	1.8
85.02972	8.4
87.00878	6.0
89.02449	36.6
95.01374	2.1
95.40686	0.7
96.96017	100.0
96.96968	35.5
97.02965	1.4
101.02444	14.0
107.05008	0.9
108.02171	1.9
109.02969	1.0
111.00145	1.3
111.00898	27.6
113.02462	12.1
117.03465	7.7
119.03504	15.1
119.05000	1.4
121.02962	1.3
122.03725	1.7
123.04527	5.1
125.02463	9.6
133.02948	3.4
134.03755	6.2
135.04536	9.1
137.02492	2.0
139.52373	0.8
143.03462	1.7
145.02971	23.9
146.03778	6.1
147.04605	6.0
149.02367	1.1
150.03215	1.2
153.01953	5.6
153.05605	6.5
161.02460	27.2
161.04573	1.6
162.03255	26.9
163.04031	1.8
165.05545	2.1
167.17461	0.9
169.01411	5.5
173.00902	1.5
177.05580	10.7
179.05583	3.9
180.04279	7.4
195.06657	9.5
205.03506	1.5
230.03625	1.1
282.47256	0.9
357.11865	4.0
376.09344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	4.2
57.03460	3.9
59.01385	100.0
61.36265	0.9
61.73298	0.7
71.01380	36.9
73.02940	10.4
75.00893	1.1
83.01410	5.6
85.02946	17.2
87.00905	5.2
89.02458	3.9
89.60025	0.8
95.01398	4.2
96.18489	0.8
99.00904	5.5
101.02440	21.6
113.02466	11.6
119.03445	0.8
125.02472	4.4
133.03009	1.1
138.06906	3.6
141.62505	0.8
149.44618	0.7
151.00401	1.9
153.09238	9.9
159.03033	3.9
161.04565	30.3
177.01949	3.4
225.11304	0.9
225.62329	0.9
243.02858	0.9
271.26950	1.0
315.14563	21.7
375.16278	1.3
375.20529	2.0
395.97147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69430	0.8
54.28261	0.8
59.01387	57.0
60.01725	1.0
61.98837	20.1
71.01036	0.8
71.01387	6.4
72.78858	0.8
78.95937	1.1
80.02696	1.0
81.03468	1.2
82.49001	0.8
82.95414	2.1
85.02969	1.9
87.00877	2.0
88.98839	1.3
89.02460	3.7
91.71390	0.9
95.05073	1.0
96.96015	18.6
96.96967	5.0
98.95599	1.5
99.00895	1.3
99.92622	1.6
101.02459	2.0
108.02184	41.3
110.00073	1.3
111.00900	2.3
113.02456	1.5
123.04523	100.0
125.02435	1.2
133.45538	1.1
136.04050	4.9
137.99597	10.5
138.03178	1.5
139.00375	5.6
139.04027	6.3
149.79311	0.9
151.04028	1.3
152.01140	1.3
153.01978	9.4
153.05588	26.9
153.06813	1.2
154.02736	2.1
154.05013	1.1
156.95998	1.1
161.04564	1.4
167.03503	87.0
169.05092	1.0
179.05621	1.4
197.00981	7.3
201.05811	3.9
217.00366	1.6
255.05045	4.4
301.05563	1.7
360.07010	4.1
375.09482	8.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36766	0.8
51.64037	0.6
59.01384	10.5
61.08885	0.9
61.98842	100.0
69.76089	0.8
71.01388	1.0
85.02975	1.2
87.00910	1.5
91.76172	0.7
96.96001	6.6
108.15720	0.8
111.00854	1.5
123.04550	6.8
139.04016	3.2
149.06056	1.0
153.01933	1.3
165.05670	1.1
174.99292	1.2
176.99042	0.8
181.09752	0.9
217.00290	5.7
255.05115	4.7
375.07526	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.13
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33202	0.6
57.03482	0.6
57.81218	0.5
57.88226	0.5
59.01392	100.0
60.59002	0.5
61.98848	3.1
65.03976	2.5
71.01383	7.6
73.02959	0.7
78.95913	2.6
85.02979	1.1
89.02435	7.1
91.05530	16.7
91.06050	0.9
92.10157	1.2
93.03459	6.4
96.96015	11.1
96.96964	3.1
97.42959	0.6
101.02444	2.8
107.05018	5.7
107.27628	0.6
111.00869	2.4
111.16406	0.6
113.02441	2.3
113.28551	0.6
119.03487	2.4
122.02454	4.2
123.04556	0.7
125.02538	0.5
135.04527	20.2
139.03984	0.9
152.02245	2.5
153.03056	4.7
153.05583	82.3
161.04547	2.7
174.99155	0.7
177.01927	18.7
179.05661	1.1
182.19829	0.8
200.15959	0.5
315.11185	1.3
339.07214	0.6
375.07391	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0495
Annotation	Unknow
Peak:m/z	Relative Intensity
55.69201	0.3
57.03477	0.2
59.01387	6.4
61.34919	0.2
65.25858	0.2
71.01395	0.5
72.99317	0.3
75.00883	1.2
81.03461	0.4
83.01402	0.4
85.02965	0.3
89.03986	1.0
96.95998	0.3
105.03468	3.1
109.02954	0.4
111.00899	1.1
125.02456	0.4
133.02954	8.9
138.03218	0.4
149.02463	0.5
151.00377	0.4
153.01939	2.6
174.99304	0.3
177.01942	100.0
178.02316	0.6
217.00323	1.3
245.08618	0.3
339.07285	7.7
375.11514	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.0686
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39908	0.7
55.01879	0.7
57.03458	1.7
58.00616	1.0
59.01385	57.1
60.32073	0.7
61.98841	1.5
64.51510	0.6
66.61429	0.6
68.61959	0.7
71.01385	17.9
72.99316	1.1
74.00352	1.0
82.04832	0.7
83.01371	0.8
85.02975	4.7
87.00871	0.8
89.02440	17.7
92.65737	0.7
94.57591	0.9
95.01360	1.2
101.02443	8.9
104.40490	0.7
109.02961	1.8
113.02455	6.3
119.03514	3.4
124.07716	0.8
125.02438	4.0
137.02466	5.6
138.02000	1.3
151.00352	1.3
152.07191	9.5
153.07497	3.0
166.01453	1.5
167.02245	3.9
180.01735	3.4
182.01047	1.0
183.00455	3.3
195.00403	1.1
196.01268	20.6
197.02057	32.4
211.00063	1.6
213.01569	30.5
213.03624	0.9
228.00305	10.4
229.45056	0.8
237.01497	0.9
255.02579	8.5
267.02567	1.5
277.92441	0.8
278.93723	0.8
306.46213	0.8
306.49927	0.8
315.04797	3.2
375.06885	100.0
392.02563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9925
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84535	0.4
59.01389	100.0
63.09054	0.4
67.66896	0.4
78.61913	0.5
88.14044	0.5
90.97137	1.0
92.10116	1.1
92.42726	0.5
115.14611	0.5
132.98167	3.9
136.93919	0.6
174.99263	36.7
201.02602	3.6
212.66939	0.6
217.00330	88.9
272.85480	2.9
286.86401	0.5
287.84213	0.9
288.88763	0.6
290.86597	3.7
314.86584	4.5
332.87686	2.4
374.99393	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	374.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
58.39165	0.2
59.01386	100.0
61.98847	0.4
76.58154	0.4
78.21366	0.2
92.10130	0.9
96.42842	0.3
143.27354	0.3
223.20779	0.6
282.24527	0.4
314.27039	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.9147
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22226	0.4
54.83321	0.5
58.76928	0.4
59.01389	0.9
71.01397	0.5
71.32787	0.5
72.99345	0.6
75.00858	0.5
78.16913	0.7
78.95905	22.0
96.96996	1.1
98.29681	0.5
121.02263	0.4
126.73933	0.5
126.98862	0.5
136.94974	0.5
165.04080	0.5
178.96022	2.2
188.59392	0.5
191.05655	0.5
198.90556	15.4
204.92670	0.5
204.99852	0.5
206.95558	1.0
216.91693	1.9
218.86874	1.2
228.90105	1.9
230.88185	2.1
260.86047	5.1
272.89325	4.6
278.87183	100.0
279.23758	0.5
279.87277	1.0
288.90643	3.5
290.88452	6.3
296.88251	37.5
298.43149	0.5
314.83780	5.6
314.89316	17.0
314.99741	0.7
332.89554	7.6
356.82730	1.0
356.89407	2.9
374.90610	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	374.2916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96717	0.5
59.01386	100.0
61.95838	0.5
61.98833	7.8
76.57996	0.7
90.30259	0.6
95.21610	0.6
95.54626	0.7
144.32318	0.6
174.99277	2.3
217.00330	5.2
250.46835	0.7
253.21710	1.1
314.26981	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	373.2001
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50103	1.0
59.01383	25.4
61.98837	2.2
64.28139	1.2
73.70431	1.4
93.03488	1.9
102.69611	1.5
110.17842	1.4
150.10556	1.8
155.25604	1.3
165.12846	23.8
244.10786	2.4
247.20712	17.3
273.18546	8.0
280.48572	1.5
291.19717	100.0
313.17923	13.5
373.19992	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	374.1459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	0.8
57.03484	0.8
58.15287	0.8
59.01387	100.0
61.98836	54.0
71.01382	26.2
72.99319	2.8
73.02959	1.8
83.01409	1.1
85.02966	8.7
87.00893	0.8
89.02448	30.6
95.01410	1.0
96.96010	5.5
101.02451	12.7
107.05066	5.9
107.05711	0.7
108.02180	0.9
108.05383	3.8
109.02970	1.2
111.00896	7.5
113.02455	9.4
119.03497	11.3
123.04517	0.8
134.06136	4.2
135.04527	5.8
139.04065	6.3
139.04967	0.8
143.05049	1.2
148.04085	1.0
149.04620	0.9
149.06104	1.1
150.03354	0.8
151.04001	2.9
152.04364	2.7
153.05577	1.4
161.04567	3.4
161.06081	3.0
171.04480	3.6
178.02684	0.8
179.03194	1.0
179.05649	5.1
189.03957	0.9
189.05589	19.0
194.05412	1.1
200.06174	1.7
207.06630	1.0
311.07822	3.0
314.09634	0.9
315.11047	1.5
338.57385	0.8
374.07669	3.7
375.07495	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1873
Annotation	Rosiridoside C
Peak:m/z	Relative Intensity
51.02362	0.8
55.01894	1.4
57.03454	1.3
59.01384	100.0
71.01379	25.5
72.99332	1.8
73.02965	2.0
83.01393	2.3
85.02959	8.6
89.02445	25.1
95.01364	1.4
101.02441	15.8
103.29102	0.9
113.02472	10.4
113.82750	1.0
115.00414	1.2
119.03477	10.6
119.53103	1.1
135.32939	0.9
151.00420	1.0
161.04558	1.6
172.38628	1.1
179.05646	1.6
212.21989	1.2
331.17728	2.1
350.14133	1.0
373.18564	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	373.1509
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01889	1.0
57.03460	0.5
58.39926	0.4
59.01387	40.9
61.98838	0.7
71.01382	12.2
73.02956	3.9
75.00872	0.4
80.02679	0.4
83.01399	3.4
85.02951	6.4
85.06620	0.7
86.25221	0.4
87.00896	0.7
89.02431	0.7
95.01419	1.0
97.02948	0.6
99.00893	1.9
99.04511	0.6
101.02442	7.0
107.01393	3.2
108.02178	3.4
113.02460	5.0
114.55823	0.5
123.00928	0.7
123.04541	2.4
123.06432	0.4
125.02489	0.5
135.04482	0.4
136.01678	8.8
136.05299	1.8
137.02441	6.4
137.06108	1.0
139.04089	0.7
143.03555	0.6
149.06100	1.8
150.06880	100.0
151.04021	46.3
151.07671	6.6
152.04825	8.4
159.03024	0.9
161.02460	0.5
161.04573	15.3
161.05853	0.8
163.07674	0.6
165.05605	3.7
165.54243	0.4
166.05128	0.5
167.03510	0.7
167.07196	5.6
178.02768	0.5
178.06339	0.9
179.03539	1.0
188.94817	0.5
189.07692	0.5
193.05078	0.5
193.08722	2.9
196.03784	0.8
211.06172	1.7
218.20599	0.5
313.13013	5.8
337.65591	0.5
373.11417	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	373.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	2.1
57.03462	1.4
59.01394	60.1
59.01694	2.0
61.98851	5.0
62.52144	1.0
63.93622	1.0
71.01389	34.9
72.99324	2.2
73.02966	5.6
83.01412	4.9
85.02959	15.3
87.00845	1.3
89.02454	19.6
92.10145	1.6
95.01398	5.5
95.87016	1.0
96.96021	5.0
99.00871	1.2
101.02454	18.4
106.04265	2.5
107.01347	1.1
107.05037	46.9
108.02185	23.1
113.02466	11.9
119.03509	5.4
122.03733	1.2
123.00931	5.8
123.04522	14.7
124.01665	2.8
129.45351	1.2
136.01657	2.5
137.06097	2.1
149.02446	5.8
150.03236	20.5
151.04016	32.7
153.01929	2.2
161.04527	9.8
165.05515	2.4
177.01941	2.3
178.02725	77.4
186.55429	1.2
193.05081	100.0
224.58856	1.2
313.09293	4.8
313.85507	1.3
357.40958	1.2
373.07318	1.5
373.11459	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	373.1145
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
53.79394	0.6
55.01884	0.8
58.00608	0.7
59.01386	46.9
61.98846	3.3
71.01382	16.0
72.99350	0.9
73.02971	1.0
79.82536	0.5
80.27945	0.7
83.01388	1.3
85.02966	3.2
87.00902	0.9
89.02443	15.1
95.01389	2.6
96.96013	1.3
101.02451	10.0
107.01395	1.1
107.05043	3.7
108.02190	21.6
109.02990	0.8
111.00921	1.5
113.02467	4.1
119.03520	6.1
121.02934	1.1
122.03786	3.2
123.00887	7.0
123.04528	9.8
124.01671	4.5
136.01649	3.1
137.06090	3.8
148.01682	1.0
149.02455	5.2
150.03238	17.8
151.04021	7.1
153.01942	4.6
165.05545	3.2
168.04210	0.8
172.29868	0.8
177.01952	3.9
178.02734	70.6
193.05078	100.0
215.87421	0.8
373.07605	1.0
373.11630	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	373.1086
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	6.6
93.03455	9.7
107.61690	1.3
108.02186	1.2
109.02962	6.1
109.99541	1.2
133.02995	11.0
145.02940	2.6
147.04555	3.1
158.03735	11.3
161.02335	1.5
169.06596	1.8
181.06532	1.4
195.08162	2.2
197.06125	2.3
208.05278	2.1
211.07729	1.8
223.07639	8.9
224.04904	2.7
225.05667	8.8
237.05609	5.5
239.07162	41.9
249.05554	1.6
251.03542	6.2
265.05118	37.9
267.06653	100.0
373.10886	94.5
375.72183	1.9
382.40814	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	373.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	2.7
57.03456	2.0
59.01386	54.9
60.03389	1.1
61.98850	2.4
66.79758	1.1
71.01380	55.2
72.99329	1.8
73.02947	13.4
74.96432	1.2
79.28715	1.3
82.44598	1.1
83.01409	7.3
85.02953	28.0
89.02450	15.8
93.03455	2.4
95.01401	3.1
99.00906	6.9
101.02432	27.9
101.03005	1.9
106.04270	7.6
107.05036	100.0
108.02180	23.8
111.00828	1.4
113.02455	20.0
119.03505	6.7
121.03002	2.2
122.03720	2.0
123.00892	5.9
123.04498	14.3
124.01635	2.3
125.02444	1.4
136.01723	1.3
137.06071	2.3
147.04623	1.3
148.04131	1.8
149.02502	1.9
149.04419	5.5
149.06009	2.0
150.03244	20.9
151.04010	72.4
153.05602	5.3
159.02982	2.0
159.70920	1.4
161.04572	16.0
165.05591	2.8
166.05112	3.2
167.05432	2.6
176.81433	1.7
177.02023	2.2
178.02734	68.9
193.03293	2.9
193.05064	86.8
210.04245	1.6
258.00320	1.2
313.09418	7.4
361.80722	1.7
373.11453	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	371.1355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.32878	0.1
55.75852	0.2
57.03460	1.0
59.01384	2.3
65.00312	1.5
68.11413	0.2
71.05021	0.2
74.04591	0.2
81.03454	7.2
83.01390	1.4
85.02957	0.3
87.66083	0.2
99.08171	1.5
101.06100	1.1
107.01409	0.9
109.06617	0.2
121.02997	0.3
123.00880	0.2
123.04455	0.2
123.08173	4.1
124.01659	0.4
125.02447	6.2
125.06082	8.8
136.05273	1.3
137.06079	0.4
141.09222	0.9
147.08156	1.6
149.02490	0.4
149.06082	1.1
150.06888	0.2
151.00395	1.9
152.01204	0.3
158.13834	0.2
165.09216	37.8
182.27026	0.2
191.07115	2.2
205.08728	0.2
209.08221	100.0
210.08546	1.1
237.40271	0.2
251.09305	0.9
287.87219	0.2
371.13113	1.8
374.54813	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1355
Annotation	1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
54.59747	0.1
57.03458	1.3
57.03697	0.1
59.01390	0.8
65.00301	1.1
74.53995	0.1
74.63593	0.1
81.03458	6.5
83.01393	1.5
87.56741	0.1
89.78763	0.1
91.75896	0.1
92.10792	0.2
99.08175	0.6
101.06089	0.6
107.01377	1.2
113.76441	0.1
121.02938	0.3
121.06683	0.2
122.03741	3.0
123.04552	0.3
123.08170	4.1
125.02449	8.4
125.06087	6.2
125.07010	0.2
128.54454	0.1
137.09721	0.1
141.09259	0.2
147.08142	0.2
149.02463	0.7
149.06154	0.2
151.00383	2.1
152.01163	0.1
165.09219	38.8
166.09500	0.2
167.07162	0.5
176.04788	0.5
191.07169	1.5
195.90706	0.1
205.08739	0.3
206.38882	0.1
209.08224	100.0
210.08543	1.0
223.49229	0.1
233.08292	0.1
236.96373	0.1
251.09332	0.6
371.13062	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83395	0.3
57.03456	0.5
59.01384	100.0
64.05466	0.3
69.30769	0.3
71.01380	2.5
78.22995	0.3
79.97025	0.3
83.01408	0.5
85.02955	2.1
89.02434	2.5
94.16866	0.3
96.96019	0.4
99.00831	0.4
101.02419	1.3
111.00892	0.7
114.40640	0.4
119.03513	0.4
130.95776	0.4
135.04520	0.7
149.06111	0.4
209.03012	0.5
225.04979	0.6
295.60922	0.4
371.13528	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	371.3173
Annotation	Unknow
Peak:m/z	Relative Intensity
56.03106	1.1
59.01387	100.0
92.10066	3.1
159.77573	1.2
273.70065	1.4
385.43604	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96836	0.2
51.49948	0.2
52.77633	0.2
59.01385	10.8
61.98837	1.2
70.31206	0.2
80.68492	0.3
102.86729	0.2
107.05037	23.0
133.02974	6.7
139.63959	0.3
150.05617	100.0
151.05908	0.5
153.01933	0.5
158.82236	0.2
163.02513	1.1
229.75781	0.3
233.92891	0.3
258.44345	0.3
368.22470	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21602	0.3
50.34981	0.3
59.01385	2.0
61.98838	100.0
127.05728	0.4
128.25519	0.3
129.52074	0.4
141.22957	0.3
175.72025	0.3
188.02908	0.4
262.26331	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.8
60.25898	0.2
61.98838	100.0
65.61918	0.2
92.10030	0.4
96.92006	0.2
103.87373	0.2
113.58391	0.2
163.42307	0.2
204.13332	0.2
313.08096	0.2
355.26227	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.32789	0.2
58.98569	0.2
59.01394	1.0
61.98840	100.0
66.81471	0.2
66.87074	0.2
69.48207	0.2
72.99345	0.2
225.12015	0.2
327.60504	0.3
343.74857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2757
Annotation	Unknow
Peak:m/z	Relative Intensity
61.98862	72.9
78.95660	63.8
92.10716	100.0
140.17818	62.0
173.87674	75.2
225.24077	70.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1406
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.6
59.01388	8.0
63.86198	0.3
67.60480	0.3
71.01378	3.4
72.99312	0.7
73.02953	68.3
78.95934	0.5
85.02956	1.8
87.00916	0.3
89.02448	2.7
96.96021	4.5
96.96962	1.5
99.00881	8.3
99.92672	0.3
101.02473	3.0
113.02448	1.3
116.92855	1.3
117.01942	100.0
119.03522	0.4
147.03244	0.4
147.06625	0.7
149.00934	0.4
161.04642	0.6
171.40440	0.4
176.55331	0.3
179.05702	0.4
207.12454	0.7
219.05244	1.5
249.06374	0.6
297.08313	0.4
309.11957	1.6
331.06488	0.3
369.10468	1.4
369.17667	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3011
Annotation	Docosanedioate
Peak:m/z	Relative Intensity
50.28231	1.7
56.79332	1.8
59.42492	2.0
63.64293	2.1
64.35287	2.1
81.24057	2.2
91.74522	2.0
103.43051	2.1
115.38347	2.2
119.15073	2.3
131.35970	2.1
139.42384	2.4
146.91656	2.4
176.01213	2.4
178.44206	2.1
192.11592	3.3
193.12360	32.9
256.88101	2.7
290.97235	2.4
307.30136	85.6
351.29193	25.3
369.30167	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	370.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99563	0.3
59.01408	0.4
61.98833	100.0
72.14821	0.3
73.96772	0.3
121.02969	1.8
159.49104	0.3
232.06006	0.4
273.07446	0.4
284.46841	0.4
304.50815	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.2964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.72866	0.9
57.35751	0.9
59.01390	100.0
61.98858	1.0
63.62376	0.8
72.17648	0.9
73.77382	0.9
98.89119	1.0
99.92575	1.6
141.56084	1.0
141.93559	1.2
158.06696	1.1
320.44299	1.0
346.74438	1.1
360.81021	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1352
Annotation	Grevilloside C
Peak:m/z	Relative Intensity
56.64507	0.7
56.94258	0.7
57.03462	1.2
59.01387	7.2
72.49459	0.8
72.92387	0.9
81.03476	6.2
81.93649	0.8
83.01357	1.1
84.36217	0.8
84.54019	0.9
85.02928	1.5
91.71985	0.9
93.36710	0.9
97.02959	1.1
97.32509	0.9
99.10786	1.0
107.01403	0.9
109.02994	1.2
122.03767	1.7
123.08151	4.0
125.02457	9.2
125.06099	7.2
149.02370	1.1
151.00468	1.3
151.14581	1.2
165.09219	57.6
167.10855	2.2
167.49269	1.0
209.08229	100.0
223.09824	1.9
233.08218	21.9
241.28053	1.0
251.09319	9.5
263.09250	4.5
267.06717	1.6
313.63028	0.9
371.13562	7.7
377.77161	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83134	1.9
55.75608	1.7
57.03458	9.4
59.01384	100.0
61.98840	14.8
65.29140	2.4
71.01386	42.5
72.99319	4.9
73.02944	4.4
75.00874	2.5
83.01388	9.8
85.02950	37.8
87.00876	13.1
88.77294	2.3
88.98833	4.3
89.02440	50.5
92.18766	2.3
92.19328	2.1
93.84444	2.0
95.01392	3.0
96.96010	4.1
99.00916	3.1
101.02457	29.2
109.12138	2.1
111.00909	12.5
113.02448	19.9
119.03497	19.2
119.04993	3.9
127.07623	4.3
129.01952	9.4
135.04532	20.5
137.06099	3.4
145.02965	3.6
149.00893	5.5
153.05595	17.5
161.04573	9.1
163.03967	4.6
179.03557	7.9
179.05580	5.3
199.77284	2.6
205.03514	5.2
223.04558	10.4
235.02248	2.4
247.94415	2.3
309.15576	12.3
333.11960	85.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79848	1.5
50.91640	1.2
55.01893	2.7
57.03463	23.2
59.01398	8.2
67.01925	1.4
71.01398	7.2
73.02947	1.5
75.00866	1.9
83.01409	10.2
85.02959	68.2
85.03452	2.5
87.00883	38.5
89.92429	1.3
97.06606	3.5
101.02440	3.4
111.00899	22.0
119.05018	8.3
121.02946	3.2
122.03696	2.1
123.04541	8.8
129.01949	21.7
130.99873	7.0
135.04568	1.6
146.03755	6.7
147.04503	10.8
149.06059	2.4
153.14865	1.5
159.04533	1.7
161.04544	1.3
161.06093	6.0
162.06844	10.9
163.04007	1.7
163.07681	14.8
164.04858	2.2
172.05298	16.5
173.06024	8.6
173.09735	1.7
174.03244	3.0
174.06889	2.0
175.04012	9.5
175.07677	26.1
186.06889	8.6
187.07628	10.2
188.04861	3.4
189.05582	11.0
190.06361	33.7
191.10835	17.0
200.04839	18.6
201.05692	2.0
201.09209	24.3
203.07195	16.8
204.07951	15.8
205.03551	17.6
214.06303	1.8
215.07118	3.1
216.07877	2.1
217.08653	9.4
219.10298	63.7
219.68561	1.5
223.04597	37.1
227.10771	8.5
228.08005	2.9
229.08704	70.2
245.08179	7.2
245.11809	6.5
247.09731	18.3
252.67278	1.8
254.04291	3.0
255.41693	1.9
261.11273	5.6
271.09756	7.9
273.07690	30.7
289.10849	6.6
291.08957	2.5
333.09799	17.2
351.10916	100.0
352.11343	1.7
369.07648	2.8
369.12009	56.8
392.70380	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	369.083
Annotation	Fraxin
Peak:m/z	Relative Intensity
55.01894	5.6
57.03455	23.0
59.01396	5.0
64.35615	0.5
68.99831	1.0
70.46947	0.5
71.01383	9.4
72.99315	2.7
73.02969	3.0
75.00895	3.0
83.01381	8.6
84.02148	2.3
85.02954	78.3
87.00893	1.6
88.01626	0.6
93.38879	0.7
101.02448	7.5
103.00404	1.1
103.03983	1.5
103.95798	0.6
111.00890	35.4
118.54366	0.6
119.05023	8.3
127.19279	0.6
129.01953	30.4
147.03035	5.2
161.04579	1.4
163.04024	3.0
187.02477	2.5
205.03571	31.9
223.04630	100.0
266.08316	0.7
377.66083	0.7
388.12973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1876
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51666	0.1
51.85226	0.1
54.00231	0.1
59.01381	0.3
61.98834	100.0
92.49473	0.1
104.86162	0.1
120.22823	0.1
138.82474	0.2
147.30699	0.1
149.16707	0.1
167.97134	0.2
168.13951	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03370	0.6
57.03464	0.8
58.10835	0.6
59.01388	100.0
64.91055	0.5
67.01910	1.6
71.01397	3.7
72.99323	3.7
73.02962	1.1
83.01408	3.4
85.02966	9.8
86.66071	0.6
87.00882	14.8
89.02457	1.5
92.10027	1.3
98.40732	0.6
99.00915	1.0
101.02439	6.5
103.00352	0.8
108.11037	0.7
111.00891	50.6
113.02470	1.4
121.02937	0.8
122.03751	0.9
123.04527	30.8
129.01909	1.3
135.04436	0.9
145.02965	0.8
146.03755	1.1
147.04532	1.3
149.06085	8.9
150.03233	1.3
151.03978	0.8
154.99854	6.5
159.03178	0.9
159.04512	1.4
161.04585	3.0
161.06029	0.7
165.05592	3.8
173.00928	9.9
173.06079	1.3
175.07573	0.7
187.07724	0.9
188.04810	2.4
189.05588	1.2
189.09244	3.3
193.05048	4.1
195.02969	4.2
217.08759	1.3
229.08672	1.1
233.08202	1.1
255.05122	19.5
261.11362	1.1
277.10773	1.0
307.17691	9.9
359.05804	0.7
367.10394	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1976
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03370	0.6
57.03464	0.8
58.10835	0.6
59.01388	100.0
64.91055	0.5
67.01910	1.6
71.01397	3.7
72.99323	3.7
73.02962	1.1
83.01408	3.4
85.02966	9.8
86.66071	0.6
87.00882	14.8
89.02457	1.5
92.10027	1.3
98.40732	0.6
99.00915	1.0
101.02439	6.5
103.00352	0.8
108.11037	0.7
111.00891	50.6
113.02470	1.4
121.02937	0.8
122.03751	0.9
123.04527	30.8
129.01909	1.3
135.04436	0.9
145.02965	0.8
146.03755	1.1
147.04532	1.3
149.06085	8.9
150.03233	1.3
151.03978	0.8
154.99854	6.5
159.03178	0.9
159.04512	1.4
161.04585	3.0
161.06029	0.7
165.05592	3.8
173.00928	9.9
173.06079	1.3
175.07573	0.7
187.07724	0.9
188.04810	2.4
189.05588	1.2
189.09244	3.3
193.05048	4.1
195.02969	4.2
217.08759	1.3
229.08672	1.1
233.08202	1.1
255.05122	19.5
261.11362	1.1
277.10773	1.0
307.17691	9.9
359.05804	0.7
367.10394	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.198
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43083	0.5
55.01907	0.9
59.01387	100.0
61.98850	2.2
67.01885	4.1
71.01386	4.2
72.99309	10.5
72.99675	0.5
73.02965	1.0
83.01382	5.5
85.02957	17.0
87.00883	2.9
97.06584	1.0
99.00875	1.2
101.02437	4.6
103.00374	1.1
109.02991	0.7
111.00890	79.6
113.02457	1.2
119.05032	9.2
121.02953	0.8
123.04546	5.7
125.02442	0.9
129.01941	3.3
132.17195	0.6
133.48665	0.6
134.03798	0.8
135.04526	0.8
143.06915	0.6
146.03749	2.9
147.04509	1.3
149.06042	0.6
152.99652	0.8
154.99870	11.5
159.04549	0.7
161.04500	0.8
161.06113	0.6
163.04002	3.6
163.07639	3.0
167.03471	6.5
173.00925	14.5
174.03278	1.0
174.17284	0.6
175.04012	0.6
175.07672	5.0
176.04764	3.2
177.30383	0.6
185.06085	0.6
187.04054	1.1
187.07637	1.2
188.04854	1.0
190.06279	0.8
191.03513	1.4
191.10695	0.8
199.12105	0.6
200.04845	2.5
203.07166	1.3
204.04274	0.9
205.05128	1.1
205.08751	3.1
214.62607	0.7
215.07063	0.9
217.08675	2.6
219.10345	1.1
229.08714	5.2
233.08229	3.2
239.17732	0.6
243.10275	0.7
245.08113	1.0
247.09814	0.7
248.40248	0.6
255.05147	0.8
259.09760	0.9
264.71701	0.6
273.07648	1.1
277.10849	3.2
292.01865	0.6
294.62503	0.6
307.17728	11.4
329.08810	0.9
349.09344	0.8
367.10394	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	367.1532
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94834	6.5
55.68004	5.8
59.01385	100.0
68.08214	6.5
71.14915	6.1
78.42835	6.1
87.00910	11.6
87.16644	6.6
91.84830	6.0
92.10735	13.6
95.07019	6.8
95.80869	6.3
96.33715	7.1
105.43249	7.5
111.00886	16.5
121.02888	9.7
148.50125	6.7
160.48904	7.4
163.59715	8.1
198.77460	7.9
311.99957	7.6
367.10449	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1533
Annotation	Louisfieserone A
Peak:m/z	Relative Intensity
57.03403	5.7
59.01387	38.2
73.93282	6.0
75.58130	5.8
86.53084	5.8
87.00916	11.6
87.63230	7.0
90.58015	7.2
111.00901	8.1
163.04051	8.0
186.90443	8.5
367.15244	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	367.0803
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15619	2.4
57.03464	2.2
59.01385	100.0
61.98841	15.8
68.42747	2.4
71.01380	26.7
72.99303	4.2
73.02959	4.1
75.00871	53.9
80.96494	2.6
85.02968	15.6
89.02444	14.5
89.44781	2.6
99.00938	2.7
101.02457	16.1
105.38078	2.5
113.02482	15.0
117.91073	3.0
119.03477	5.5
123.04523	4.8
125.02439	3.2
133.02943	4.9
153.01930	22.4
161.04509	15.0
167.03441	4.5
168.04308	4.8
169.05144	3.0
174.14226	2.8
175.39882	2.8
187.04066	4.8
202.06313	3.7
217.08673	3.7
250.69879	2.7
276.88190	2.9
307.13989	25.8
329.08713	3.4
331.10681	4.7
367.15698	2.9
386.42078	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	367.1402
Annotation	2-Phenylethyl-2,6-diacetyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.95675	0.7
53.17161	0.7
53.76622	0.6
55.01878	1.6
55.14388	0.8
57.03456	2.1
58.00594	1.3
59.01384	100.0
71.01382	38.3
72.99306	3.8
73.02927	1.2
78.91888	1.6
83.01392	1.8
85.02964	10.4
87.00873	8.5
89.02437	29.7
95.01400	3.2
101.02439	19.8
106.04251	5.8
109.03015	0.9
111.00902	1.0
113.02451	14.1
119.03490	12.3
121.02929	5.5
123.04512	1.9
123.32455	0.8
134.03745	1.2
135.04555	1.0
153.81038	1.1
161.09717	19.6
163.03989	1.5
163.07649	3.6
203.10725	1.3
204.07903	1.7
205.08722	54.2
217.08730	1.7
219.10229	5.3
247.09760	32.1
277.10867	2.1
285.03973	1.6
307.11938	14.0
367.14041	88.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2701
Annotation	Unknow
Peak:m/z	Relative Intensity
50.33350	1.2
52.56430	1.3
55.94625	1.3
58.11727	1.2
59.01396	9.5
61.98840	1.7
76.20141	1.4
76.58131	1.4
92.10049	4.3
93.03474	6.1
109.24638	1.5
111.75961	1.8
112.79240	1.5
145.94496	1.7
165.09282	2.2
201.02486	4.6
222.95145	1.4
256.31390	1.6
294.12262	2.1
294.61520	1.6
307.19086	2.1
334.47153	1.5
347.25961	100.0
365.27048	34.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.2704
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
52.53149	0.8
53.14517	1.0
55.84058	0.9
58.28433	0.9
59.01397	5.2
59.20869	1.3
60.47033	0.9
61.98853	1.6
83.65027	1.0
97.06619	1.7
106.64058	1.1
112.38730	1.1
115.20940	0.9
115.48544	1.0
147.92078	1.1
194.72679	1.5
217.36386	1.1
259.21335	1.2
294.68668	1.2
298.19455	1.4
347.26001	100.0
348.26309	2.1
365.27029	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19177	0.7
58.73771	0.7
59.01385	1.5
75.49670	0.6
82.51286	0.7
86.50301	0.8
120.04614	0.8
131.96315	0.7
132.04584	3.2
136.52823	0.8
146.06104	3.6
148.07713	61.9
152.62625	0.7
189.09592	0.8
303.98883	0.9
366.24445	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89357	0.5
51.73109	0.5
54.03937	0.5
54.55445	0.5
56.37400	0.5
57.03467	2.2
59.01392	100.0
61.98840	27.5
71.01381	11.4
72.99315	0.6
73.02961	2.8
75.29063	0.5
76.83759	0.5
80.39780	0.5
83.01401	1.0
85.02972	4.1
87.00880	24.6
89.02445	6.3
95.01392	0.7
96.96021	2.6
97.02953	0.7
99.00902	0.9
101.02463	6.3
108.56915	0.5
109.03027	0.7
113.02444	4.5
119.03483	2.1
121.03014	0.7
123.04557	1.2
133.02916	0.9
135.04517	0.7
143.07149	4.1
145.02917	0.6
149.02461	0.8
150.21640	0.5
158.03697	0.6
159.04532	1.4
161.02463	1.3
161.04541	3.5
161.05879	0.5
163.03999	1.2
165.05640	1.0
167.07141	14.3
173.05951	0.8
175.04091	1.1
177.05489	0.7
179.03532	0.6
179.05603	0.8
183.02995	6.2
186.48048	0.6
188.04755	0.7
196.79921	0.6
201.05634	1.0
213.63876	0.8
219.06667	0.6
233.08199	1.1
277.10809	1.3
289.07159	2.2
305.16113	8.4
329.12225	1.0
365.14117	1.1
365.18201	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32901	1.0
54.47410	0.9
55.01890	5.4
57.03461	2.5
58.00608	2.0
59.01387	100.0
59.68737	0.9
61.98841	1.0
71.01383	60.8
72.99317	2.5
73.02940	12.2
73.54452	1.4
80.15087	1.0
83.01394	9.8
85.02949	26.8
87.00885	6.3
87.04517	4.7
89.02450	43.0
94.77735	1.0
95.01420	4.5
95.78550	1.0
96.96008	1.2
97.02929	1.2
97.06593	1.3
99.00878	5.5
101.01780	1.8
101.02444	42.7
113.02460	25.1
119.03508	13.8
123.04509	2.3
125.02442	2.0
140.00793	1.1
143.03459	1.5
149.04558	1.3
159.02960	2.6
161.04564	23.3
167.03532	9.4
179.05573	8.1
181.20900	1.0
203.12935	14.1
365.18240	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89357	0.5
51.73109	0.5
54.03937	0.5
54.55445	0.5
56.37400	0.5
57.03467	2.2
59.01392	100.0
61.98840	27.5
71.01381	11.4
72.99315	0.6
73.02961	2.8
75.29063	0.5
76.83759	0.5
80.39780	0.5
83.01401	1.0
85.02972	4.1
87.00880	24.6
89.02445	6.3
95.01392	0.7
96.96021	2.6
97.02953	0.7
99.00902	0.9
101.02463	6.3
108.56915	0.5
109.03027	0.7
113.02444	4.5
119.03483	2.1
121.03014	0.7
123.04557	1.2
133.02916	0.9
135.04517	0.7
143.07149	4.1
145.02917	0.6
149.02461	0.8
150.21640	0.5
158.03697	0.6
159.04532	1.4
161.02463	1.3
161.04541	3.5
161.05879	0.5
163.03999	1.2
165.05640	1.0
167.07141	14.3
173.05951	0.8
175.04091	1.1
177.05489	0.7
179.03532	0.6
179.05603	0.8
183.02995	6.2
186.48048	0.6
188.04755	0.7
196.79921	0.6
201.05634	1.0
213.63876	0.8
219.06667	0.6
233.08199	1.1
277.10809	1.3
289.07159	2.2
305.16113	8.4
329.12225	1.0
365.14117	1.1
365.18201	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1821
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06041	0.8
55.01886	5.8
56.02200	0.9
57.03463	1.4
57.48756	0.9
58.00602	1.9
59.01387	100.0
59.57684	0.9
67.55298	1.0
71.01385	57.3
71.01773	2.2
72.99319	2.1
73.02951	12.8
83.01394	8.2
85.02950	28.0
87.00889	2.6
87.04504	1.5
89.02444	39.5
95.01381	4.1
97.06576	2.0
99.00832	1.6
101.02445	42.4
111.00963	1.5
113.02454	25.6
119.03497	14.8
123.04514	1.6
143.03543	2.2
159.03073	1.5
161.04588	16.8
167.03528	2.7
179.05577	6.4
203.12923	8.9
240.85249	1.3
264.14783	1.1
284.02496	1.1
365.18213	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1456
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92398	0.7
57.15598	0.8
59.01394	100.0
61.54146	0.7
61.98851	1.2
65.68311	0.7
71.01391	10.5
71.74403	0.8
72.99317	4.6
73.02953	3.2
83.01395	1.3
85.02982	5.6
87.00880	1.2
89.02442	11.2
96.96008	1.9
98.95580	0.9
101.02436	6.1
108.02188	11.9
111.00883	1.4
113.02470	6.2
119.03502	4.2
123.04532	11.1
125.02448	1.5
125.06091	1.1
141.05605	1.9
152.01143	9.4
152.91795	0.9
155.12109	0.9
161.04547	4.7
167.03510	33.8
179.05591	3.6
184.57275	0.8
305.12473	11.3
329.08893	3.6
365.05167	1.5
365.14404	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	365.1819
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86920	0.4
54.82899	0.4
55.01892	0.7
57.03451	1.0
58.00596	0.4
58.86493	0.5
59.01384	100.0
71.01380	16.4
72.99301	1.2
73.02934	0.8
83.01387	0.9
85.02943	4.8
87.00904	0.9
89.02445	12.4
95.01385	1.0
101.02435	9.8
104.96288	0.6
105.15476	0.6
113.02432	6.4
119.03477	6.3
125.02505	0.5
140.54436	0.6
161.04544	2.3
165.05524	0.7
167.07080	4.0
168.02975	0.6
179.05612	0.6
180.21146	0.5
185.11819	0.7
203.12920	1.0
233.08308	0.6
305.16129	5.4
329.12381	0.7
365.18207	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1458
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72355	0.4
52.02685	0.4
52.84522	0.4
54.83162	0.4
55.01883	0.7
57.03465	0.5
59.01386	100.0
71.01389	9.5
73.02950	2.7
75.90391	0.4
83.01398	1.5
85.02953	5.5
87.00887	3.9
89.02457	2.6
95.01418	0.5
101.02446	5.1
108.02177	0.6
113.02439	4.5
133.52927	0.4
141.09239	1.6
142.55075	0.5
143.03473	0.4
143.07198	3.5
147.04463	0.5
152.65919	0.4
156.78581	0.5
159.02962	0.6
161.04562	8.4
175.04161	0.4
185.08211	0.4
249.18288	0.4
277.10803	0.5
280.26730	0.4
305.12381	0.6
323.17313	0.6
329.12128	0.6
336.55142	0.4
365.14655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1455
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74317	0.4
55.01876	0.5
57.03449	0.5
59.01386	100.0
61.98833	0.9
71.01382	8.3
73.02946	2.6
77.54597	0.4
83.01402	0.9
85.02959	6.5
87.00874	14.5
89.02453	2.5
95.01373	0.8
99.00876	0.6
101.02430	5.8
108.02244	0.5
113.02477	4.9
123.04514	0.5
133.02986	0.7
141.09160	0.7
143.03532	0.5
143.07132	0.9
147.04561	5.7
149.06097	0.6
159.03012	1.0
159.04483	0.7
161.04585	9.1
161.08250	0.5
163.03979	0.7
173.06056	0.4
175.03938	0.5
178.66826	0.4
188.04764	0.6
203.04669	0.6
277.10843	1.9
305.12375	0.9
365.14426	0.8
365.18387	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0534
Annotation	959-81-9
Peak:m/z	Relative Intensity
57.03455	6.2
59.01387	0.6
61.01020	4.1
64.82378	0.4
67.01897	5.9
71.01387	1.9
72.99284	0.3
76.53860	0.3
78.95906	1.9
83.01389	0.7
85.01038	0.4
85.02949	9.7
87.00864	5.5
91.87003	0.3
96.96016	7.2
96.96957	3.8
99.00886	1.9
99.02596	0.7
100.29491	0.4
101.02438	1.3
105.01935	4.0
111.00887	100.0
112.01210	1.8
112.98801	1.9
113.00548	0.4
115.00374	1.3
115.02132	0.6
127.00372	0.4
129.01001	0.4
129.01921	1.9
129.03673	0.4
131.01566	1.5
139.74289	0.3
142.99889	0.7
143.01537	0.7
145.32199	0.3
154.99837	0.9
155.01660	0.4
159.03091	1.6
160.04065	3.4
162.07712	0.3
165.04015	6.3
173.00902	2.1
173.02621	1.6
189.02254	0.4
191.03726	13.1
217.01683	2.5
250.22128	0.4
261.04370	0.4
266.41205	0.3
365.05362	49.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31153	1.1
57.56581	1.2
59.01395	2.1
61.98833	100.0
67.74815	1.0
80.52451	1.2
82.80909	1.2
94.35194	1.1
111.68874	1.3
120.92281	1.2
142.05251	1.1
149.47737	1.1
153.43942	1.2
166.36160	1.2
167.10820	12.2
197.02307	1.6
327.21780	6.0
329.75363	1.3
364.97479	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	364.1621
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	28.9
60.01720	2.9
61.01810	2.2
61.98835	100.0
71.66597	0.3
116.92168	0.3
126.31304	0.2
128.33521	0.3
145.34360	0.3
161.06339	0.4
168.75748	0.2
179.53287	0.3
200.83505	0.3
217.07217	0.4
218.07346	1.7
219.06876	5.6
220.07146	6.8
286.13846	0.3
287.13339	2.1
288.13541	5.1
301.16727	0.3
302.16733	1.4
303.16467	6.6
304.16678	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	365.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23724	1.0
56.44455	1.0
57.03464	8.2
57.82011	0.9
59.01386	5.1
59.51608	1.2
60.52866	1.0
61.01032	4.6
67.01916	5.9
68.99840	1.2
71.01386	23.5
71.12585	1.1
73.02939	2.2
80.67802	0.9
83.01411	8.6
85.02942	11.0
87.00876	9.6
96.96027	2.4
99.00893	24.6
101.02492	1.4
105.01968	1.9
111.00888	100.0
112.98818	55.8
115.00374	4.7
121.58358	1.2
124.98816	5.3
127.00406	1.9
129.01968	10.7
142.99876	38.7
145.01483	1.3
154.99910	1.9
165.04056	4.5
172.99460	1.8
173.00938	46.5
173.02496	2.1
178.07376	1.2
191.03712	10.1
206.33182	1.2
256.53616	1.2
365.05350	43.8
384.40186	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	364.1196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10881	1.2
59.01376	1.8
61.98851	1.4
74.55868	1.5
77.74918	1.7
93.03462	100.0
95.05045	14.0
96.04789	1.7
101.59300	1.5
108.95100	1.8
121.84581	1.5
153.58058	1.6
169.06610	4.0
197.29190	1.9
202.14534	1.7
213.22397	1.6
223.07671	7.3
249.12711	2.1
265.12360	2.3
271.11362	1.7
293.11862	52.9
316.94717	1.9
337.10818	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	364.1252
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82995	0.7
55.58957	0.5
58.06564	0.4
59.01393	37.8
61.98843	7.8
63.33691	0.5
67.32851	0.6
71.05025	4.1
71.51544	0.4
72.00919	5.2
81.27248	0.5
84.00915	21.3
86.02515	0.9
87.04533	2.8
111.00896	3.2
114.01990	2.9
114.39531	0.6
128.07227	0.8
142.05106	100.0
144.03052	5.3
147.06648	7.3
148.04144	0.7
156.06721	8.1
175.57622	0.6
216.05115	0.8
216.08835	1.1
243.84053	0.5
249.26474	0.6
276.10959	1.2
284.24719	0.6
298.27869	0.5
304.10449	7.0
364.04315	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0811
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08968	0.8
54.83123	1.1
55.01884	1.8
56.07541	0.9
57.03449	1.9
57.75463	0.8
59.01389	100.0
61.98837	31.4
71.01392	29.3
73.02941	9.0
83.01402	4.6
85.02959	13.5
89.02445	1.5
94.63392	0.9
95.01390	1.5
99.00901	2.5
101.02441	14.2
104.91173	1.1
113.02470	9.2
123.04522	1.5
130.69688	1.0
159.03015	1.6
161.04581	28.3
205.03566	1.2
246.76810	1.1
304.05804	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	363.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54084	0.4
57.03470	0.4
59.01385	100.0
65.61752	0.4
67.33411	0.4
91.78408	0.5
92.10904	0.7
105.01936	4.8
111.00896	1.0
125.02452	2.6
136.52742	0.4
151.04056	0.5
157.06654	0.4
169.01410	0.5
170.40138	0.5
172.05241	0.6
183.10236	0.6
187.07619	3.5
201.11270	2.7
227.03659	0.5
257.08197	3.2
296.96921	0.5
363.05249	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.0316
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60285	1.6
53.70452	1.7
61.98833	100.0
63.02417	4.1
64.82427	1.6
65.00333	6.7
71.97328	1.5
79.98579	1.5
80.50719	1.4
83.01398	3.5
87.84330	1.7
91.21797	1.6
107.01421	17.3
121.02951	23.3
140.53447	1.7
149.02435	2.4
150.32349	1.8
151.00372	65.6
165.03183	1.8
169.01472	3.4
178.99831	22.4
201.99113	2.2
253.38451	1.7
290.93839	1.8
301.03577	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1462
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	100.0
91.92427	0.5
104.25216	0.5
137.66832	0.5
140.07185	89.4
149.04558	0.6
159.07498	0.6
167.72122	0.5
170.14857	0.5
296.06213	0.6
302.12430	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1052
Annotation	Unknow
Peak:m/z	Relative Intensity
58.65466	0.2
59.01384	4.3
61.98834	100.0
71.01380	1.1
74.38942	0.2
85.02968	0.3
87.00857	0.3
89.02446	0.6
89.08873	0.3
92.10131	0.4
96.96001	0.3
101.02426	0.3
138.02768	0.4
138.05595	0.3
183.92436	0.3
195.25589	0.2
251.95430	0.3
270.69556	0.2
317.11807	0.3
363.11328	0.3
363.16687	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.1222
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	77.6
61.98840	100.0
62.05532	14.6
62.56214	11.6
66.70501	13.4
69.05080	15.7
85.02962	15.4
89.02435	19.0
110.51508	15.4
119.03441	21.8
119.62007	19.0
121.10184	15.6
126.13003	16.2
165.09233	24.8
202.96585	16.4
285.22745	18.0
382.87024	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	363.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.8
57.03477	7.2
59.01395	100.0
66.93346	1.6
67.01922	1.9
71.01383	24.7
73.02972	6.2
78.95933	3.1
83.01400	13.4
85.02968	16.5
87.00919	6.8
89.02455	21.9
95.01418	1.5
96.96016	36.8
96.96940	10.3
97.02959	2.4
97.06593	25.4
98.95591	1.6
99.00867	6.3
101.02456	14.4
103.00398	6.3
111.00896	93.7
113.02421	11.6
115.00404	1.8
119.03503	7.8
123.00868	1.8
123.04533	10.4
127.00380	47.5
127.02119	7.6
129.01955	2.1
139.04005	2.4
141.01959	5.9
141.05620	16.9
145.01457	6.8
161.04588	7.4
163.02478	11.0
171.01086	2.5
173.36540	1.5
179.05640	3.3
189.02138	34.0
217.01591	7.4
303.10883	10.3
363.03827	80.0
363.07501	5.0
363.13046	9.2
382.12503	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	361.188
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	95.8
76.56284	1.0
92.10146	1.5
101.54649	1.1
110.45583	1.1
114.39535	1.4
127.30857	1.1
134.99406	1.7
161.06413	2.0
217.07260	45.5
217.09259	2.2
281.16071	1.1
285.13522	22.7
301.16672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2599
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
59.82097	0.7
60.01738	0.9
60.52411	0.8
63.52136	0.8
63.52466	0.8
73.65037	0.9
83.54294	0.8
85.89329	1.0
102.59998	1.0
135.03456	0.9
280.28311	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.0732
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36205	0.4
59.01405	0.6
71.01382	0.8
78.95922	2.2
83.01418	1.0
84.04552	9.7
85.02984	0.7
94.02979	100.0
96.95988	0.7
98.95606	0.7
99.00880	0.5
111.00884	9.8
112.04135	0.7
112.98809	0.9
127.00394	3.5
138.01971	55.3
142.99875	2.5
144.37267	0.5
156.03029	8.7
163.02444	0.6
170.04582	4.2
188.02472	0.7
189.02094	0.8
211.00160	0.7
223.45947	0.6
273.40387	0.6
362.03992	4.1
362.08002	3.0
363.03641	0.8
363.07544	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1308
Annotation	Unknow
Peak:m/z	Relative Intensity
58.99357	0.5
59.01389	100.0
61.98832	0.7
66.53907	0.4
82.41460	0.5
92.10790	0.9
95.43607	0.5
96.96013	5.8
109.54846	0.5
122.03740	2.2
138.05621	39.6
140.01172	0.9
151.89264	0.5
152.03516	5.1
162.08534	1.0
165.21751	0.6
180.03055	2.1
251.05658	0.6
300.11142	0.8
304.97894	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.0118
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97882	0.4
52.60296	0.4
59.01386	100.0
60.01717	3.1
61.01793	0.9
61.98837	1.8
62.38979	0.4
63.59811	0.5
81.95967	0.4
85.63052	0.4
90.97147	0.4
94.49249	0.4
130.37495	0.4
132.98193	2.8
148.40735	0.5
156.59674	0.4
159.03288	2.1
161.01250	0.9
174.99257	27.8
175.99536	1.8
176.99796	0.9
201.02542	2.3
202.02809	0.7
202.98735	2.5
203.02319	16.0
217.00339	65.4
218.00713	4.3
219.00836	5.4
219.97853	0.5
312.14429	0.4
361.01279	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	361.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.07910	0.4
59.01395	14.0
71.01402	3.5
72.97548	0.5
73.02969	0.7
80.08894	0.4
83.28652	0.4
85.02959	1.8
88.07072	0.4
95.01393	3.3
96.96014	0.6
99.00928	0.5
101.02459	2.6
101.94721	0.5
108.02193	0.7
109.02950	0.6
113.02467	2.0
115.22456	0.4
121.02964	2.6
123.00889	100.0
123.04493	2.2
124.01672	9.7
125.02466	0.9
137.02441	1.8
138.03238	63.7
139.04019	12.5
139.04991	0.8
149.02461	2.3
151.04010	1.1
153.02031	0.5
159.02983	0.7
161.04575	8.7
166.02737	1.7
178.02745	2.8
181.05060	5.0
193.05045	2.4
235.26482	0.5
301.09320	19.2
382.35980	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.63903	1.2
54.41726	1.4
54.93927	1.2
55.01894	1.9
57.03458	7.3
58.74061	1.0
59.01105	2.6
59.01388	59.4
60.01728	1.6
64.01945	3.0
65.99837	1.5
70.58966	1.4
71.01382	62.6
71.82506	1.3
72.99311	2.3
73.02954	3.1
79.80558	1.3
80.01431	2.5
81.03442	2.0
83.01389	1.7
85.02953	15.1
86.50493	1.6
87.00852	10.6
88.98829	2.7
89.02454	6.9
97.02964	1.6
98.45216	1.6
99.00877	2.7
101.02462	6.7
109.02992	2.1
109.06628	2.0
111.00901	1.9
113.02444	9.5
117.03433	2.5
123.04566	1.3
123.08159	9.3
127.02036	4.7
130.08853	1.6
138.05592	5.1
139.00372	5.9
139.03981	3.4
139.05933	2.8
139.07683	1.6
140.20737	1.4
141.09239	11.0
145.02968	25.1
163.04004	1.8
167.07146	2.9
169.00121	3.1
169.08690	2.7
176.24309	1.3
177.98141	1.4
181.08588	1.9
181.99707	13.9
193.90985	1.4
197.99217	55.2
198.99997	100.0
215.09286	1.5
220.08644	1.3
223.44763	1.3
277.57990	1.5
285.13507	8.4
325.09567	5.0
329.12482	80.9
330.13080	1.7
361.00797	3.3
361.05341	78.9
361.09647	4.0
361.14981	24.5
361.18915	2.0
380.14395	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	359.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	33.2
64.35222	3.4
76.58571	3.1
89.95131	3.5
92.10054	7.4
109.02628	3.9
141.50471	3.7
159.99184	3.7
254.30270	3.5
277.21759	100.0
359.22110	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	359.2806
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
60.18687	1.6
93.87151	1.7
129.41100	1.7
132.88075	1.9
157.51695	1.6
217.00391	2.8
331.65436	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.0942
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54478	0.2
59.01388	6.2
67.66339	0.2
68.26840	0.2
69.60836	0.2
70.31695	0.2
74.79369	0.2
79.69077	0.2
97.94776	0.2
108.02188	10.0
130.32649	0.2
133.51341	0.2
138.01984	100.0
139.02322	0.4
151.02768	0.5
186.13194	0.2
260.06976	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09722	0.2
53.88011	0.2
59.01385	24.0
60.01736	0.4
68.01421	0.4
71.01389	1.5
71.24890	0.2
78.54515	0.2
84.90977	0.2
88.53216	0.2
89.02460	1.3
91.00613	0.2
92.10780	0.2
113.02452	0.3
119.03449	0.3
119.05016	0.5
123.03270	9.4
137.04839	1.2
138.05614	100.0
149.76840	0.2
152.07193	0.6
165.04337	0.3
167.05870	0.5
172.18060	0.3
180.06641	1.5
240.88626	0.2
270.05759	0.3
300.10922	20.7
306.12900	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1304
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.6
59.01386	28.8
67.72343	1.0
70.41701	1.2
71.01385	11.5
76.57941	1.1
83.01379	1.6
85.02959	2.7
89.02451	11.0
95.01416	1.1
95.05053	1.4
96.04560	2.7
96.96011	48.6
96.96970	2.4
99.64061	1.0
101.02457	5.3
113.02436	2.0
119.03506	2.5
123.00817	2.2
123.85642	1.0
127.91451	1.1
134.06093	1.6
135.03300	1.4
136.04080	1.3
136.07687	70.3
137.02299	1.2
153.00696	4.6
155.33852	1.3
174.17992	1.0
180.06677	100.0
185.34514	1.1
237.05428	1.1
253.34346	1.2
324.13965	1.6
360.13153	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	359.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47708	0.4
59.01384	6.0
61.98755	0.4
69.68422	0.5
70.07165	0.5
70.32207	0.4
71.01392	2.2
71.05019	5.7
84.10758	0.5
87.04546	2.5
92.10246	0.6
96.96019	0.6
98.28403	0.5
99.04517	19.6
115.04003	10.1
115.07656	1.9
117.05572	12.5
137.02509	0.8
138.03212	0.7
138.05609	0.7
138.73715	0.6
140.01158	4.8
152.23079	0.5
153.05594	0.7
153.41333	0.6
155.03485	2.5
161.08205	100.0
254.63774	0.5
359.28708	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28309	2.1
54.44450	2.1
55.01890	4.9
56.26656	2.2
56.62363	2.0
57.03450	3.4
58.00600	2.2
59.01385	100.0
61.98833	32.0
65.95695	2.3
66.30524	2.5
66.57297	2.2
67.31001	2.2
68.73885	2.6
71.01386	62.9
72.12825	2.2
72.99329	4.5
73.02956	12.7
79.69350	2.3
81.03475	3.3
82.87927	2.4
83.01395	19.0
83.63862	2.1
85.02958	29.7
87.00874	6.0
89.02441	29.4
95.01392	3.5
99.00916	4.9
101.02439	41.7
108.02233	3.7
109.02974	14.4
113.02478	20.2
119.03489	5.6
121.02948	5.5
122.03758	25.5
123.04519	39.0
125.02447	23.9
132.60202	2.4
134.02483	24.8
135.04561	10.8
136.01567	2.4
137.02463	11.5
137.06047	3.5
138.03236	14.7
141.07489	2.7
149.02489	3.8
151.00403	4.8
153.01978	3.4
153.05609	21.2
163.04002	3.5
167.03503	95.7
179.03497	42.9
179.07169	4.4
182.05844	37.9
197.04591	25.0
197.08217	89.0
239.05714	11.3
242.05952	10.2
250.76421	2.9
252.84784	3.2
254.40187	2.6
271.09808	12.0
278.56064	2.5
296.07947	4.0
298.36426	2.9
327.10736	4.5
359.09741	22.0
359.13623	38.6
365.27240	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	359.1356
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09764	0.7
58.00620	1.3
59.01387	100.0
61.54007	1.0
61.98839	1.9
71.01388	32.6
73.02945	1.5
73.54976	0.9
75.39300	0.8
83.01418	1.5
85.02963	9.1
87.00884	1.4
89.02448	31.6
92.10825	1.2
95.01401	3.6
101.02441	20.7
112.87552	0.8
113.02456	13.2
119.03534	11.3
119.05017	14.7
121.02927	1.0
122.03732	1.5
136.05368	1.3
137.02507	1.3
137.06165	1.1
143.03497	1.3
148.41737	1.0
153.05524	1.2
161.04582	4.3
179.05635	3.7
182.05869	4.5
195.06525	0.9
197.04556	5.9
197.08192	9.5
239.05659	2.1
247.93993	0.9
299.11362	14.5
359.09866	12.3
359.13727	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	359.112
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09415	0.5
59.01399	5.0
60.26394	0.5
62.44604	0.6
67.02946	0.5
71.01399	1.1
71.05029	6.3
85.48308	0.6
87.04532	4.1
92.10159	0.8
92.31338	0.6
99.04533	19.3
101.02439	0.5
115.04026	10.0
115.07646	1.2
117.05594	14.4
137.02434	0.9
138.03223	1.3
138.05693	0.5
140.01167	3.6
140.41698	0.6
146.79329	0.5
153.05569	1.0
155.03532	2.4
161.08211	100.0
178.89285	0.6
190.62828	0.6
231.41376	0.6
315.81635	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.42224	0.8
59.01385	20.3
60.11851	0.7
62.25675	0.7
67.20071	0.8
70.06709	0.7
70.12569	0.8
71.01385	3.8
71.05017	6.2
83.01379	0.7
83.89157	0.7
85.02961	0.9
87.04523	1.8
92.10167	1.7
93.03453	1.3
95.01386	2.0
96.37669	0.7
99.04517	18.2
107.05003	1.7
115.04023	10.7
115.07638	1.1
117.05571	12.9
123.00886	42.4
132.43686	0.8
136.05315	4.0
137.02481	6.6
137.06065	12.7
138.03235	54.4
153.05595	13.7
159.31361	0.9
161.02379	1.2
161.04547	1.7
161.08205	100.0
162.08559	1.0
166.99886	13.1
182.02237	34.1
197.04585	54.1
197.31873	0.8
202.89072	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0989
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.20054	0.7
55.01897	0.7
56.54479	0.8
59.42864	0.8
62.03279	0.8
63.21725	0.8
69.39751	0.8
71.01382	1.2
71.05039	1.3
85.02958	1.0
92.10201	1.3
95.01379	5.3
99.04509	7.0
115.03992	4.2
117.05574	4.1
123.00883	76.4
136.05302	4.0
137.02480	1.9
138.03226	94.3
153.05594	28.7
161.08189	35.9
166.99864	21.5
182.02220	63.6
197.04561	100.0
199.03943	0.9
359.09879	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	359.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.89943	0.7
56.91235	0.6
59.01390	13.5
59.28923	0.6
66.49063	0.7
71.01382	3.1
85.02962	1.8
92.10136	0.9
93.03458	3.8
95.01378	5.8
96.96058	1.2
101.02446	1.4
111.98387	0.8
113.02514	0.9
113.35916	0.7
117.03336	0.7
123.00882	80.4
125.35112	0.7
137.02441	11.5
137.06099	6.3
138.03235	97.0
151.03990	1.1
153.05589	28.4
160.83827	0.7
166.99855	20.3
182.00583	1.4
182.02228	62.1
197.04576	100.0
198.04994	0.9
359.09946	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	359.0988
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
51.16537	0.5
51.77313	0.4
52.37299	0.4
53.67719	0.5
57.17831	0.4
58.82166	0.5
59.01400	3.6
60.52618	0.5
66.56319	0.4
73.56380	0.5
101.02461	0.5
119.23639	0.6
120.90802	0.5
135.04530	0.9
138.03217	9.2
151.04019	11.2
152.04802	31.2
153.05588	29.6
165.05661	0.7
178.02728	51.6
179.03465	2.4
182.02187	0.6
196.03792	100.0
197.04562	3.3
239.91452	0.5
336.33600	0.5
341.08826	3.0
359.09894	83.5
360.10339	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.0989
Annotation	Syringic acid beta-glucopyranosyl ester
Peak:m/z	Relative Intensity
55.01895	2.1
57.03467	2.2
57.55563	1.3
58.00610	1.6
59.01385	100.0
61.98837	2.8
63.51947	0.9
71.01385	38.0
71.01775	1.4
72.99340	2.1
73.02956	4.9
81.03477	1.3
83.01409	7.0
85.02947	16.0
87.00867	1.8
89.02440	22.9
95.01382	4.2
101.02445	23.4
109.89259	1.1
113.02444	13.6
119.03510	5.3
121.02969	7.4
122.03725	10.1
123.00886	1.2
123.04539	4.7
125.02477	1.8
128.86075	1.2
134.02510	1.1
137.02467	5.1
137.06096	1.6
138.03227	4.8
139.04013	1.7
153.05553	9.7
161.04538	2.8
167.03519	7.1
179.03554	2.2
179.07129	2.5
181.01425	5.4
182.02228	5.0
182.05876	14.4
196.03804	2.4
197.04613	25.4
197.08211	32.6
211.06149	6.0
220.05600	1.4
224.03363	1.7
232.57840	1.3
239.05629	14.0
299.07803	5.1
299.11407	4.4
310.56680	1.3
327.11240	1.5
359.09860	41.0
359.13721	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	358.2965
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91987	1.7
59.01386	100.0
73.75822	1.8
127.18864	1.7
222.88731	2.8
267.57333	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	359.015
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
63.64885	0.6
79.34856	0.6
120.73539	0.6
132.98203	1.3
157.03604	3.8
159.01482	1.4
174.99249	29.5
201.02586	23.2
201.04471	0.7
217.00334	82.5
274.88745	1.0
316.89954	1.1
359.01572	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	359.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30117	0.6
57.03457	4.3
59.01377	6.2
60.42516	0.7
62.39074	0.7
65.00330	2.9
67.01910	1.0
68.99825	4.3
71.01389	2.7
71.38949	0.6
75.93719	0.7
77.58555	0.7
81.03470	3.2
83.01384	20.6
84.14775	0.7
85.02963	1.6
86.65388	0.7
89.02430	1.3
91.95023	0.7
92.10144	1.3
92.65916	1.0
93.03454	23.2
95.01404	1.8
96.96007	4.5
101.02457	1.7
102.49606	0.7
107.01403	4.9
107.05082	0.7
109.02950	12.4
111.00883	4.4
113.02507	1.6
123.00876	8.8
123.04532	6.2
125.02438	49.5
135.04526	45.2
137.02449	26.0
138.03221	6.8
139.04021	1.1
149.02454	3.6
151.00383	24.2
153.01942	100.0
153.05528	6.7
166.99934	1.5
167.03513	3.1
169.01433	1.1
177.01965	1.3
178.99814	5.1
182.02217	4.1
195.02959	2.8
197.04573	12.2
299.07761	1.2
315.07147	7.0
329.08807	0.9
341.04977	0.9
359.06143	10.9
359.10013	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	358.224
Annotation	Unknow
Peak:m/z	Relative Intensity
57.37378	0.8
61.98833	100.0
64.02087	0.7
69.75898	0.9
81.27016	0.8
82.65637	0.9
139.02948	0.9
229.35127	0.9
261.25986	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2243
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02411	1.0
55.76525	1.1
59.01387	1.4
61.98836	100.0
65.65690	1.2
82.88315	1.5
114.73817	1.4
151.50230	1.5
234.57721	1.4
371.44940	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	358.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36715	66.3
51.18819	64.7
51.35053	66.1
53.95582	69.7
53.96849	68.5
57.44661	71.5
57.54491	72.6
59.01398	80.4
59.56130	78.4
63.05017	67.0
67.48775	73.4
71.64121	69.9
89.31818	88.7
92.66132	72.0
99.80480	76.5
116.80701	92.9
131.53801	80.9
232.82684	87.2
246.37553	89.4
268.93121	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	358.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30968	0.3
55.06923	0.4
59.01384	4.4
60.55418	0.4
62.23220	0.4
66.99783	0.4
71.01392	0.9
76.02315	0.4
85.02920	0.5
94.82351	0.4
108.08202	100.0
120.08202	2.4
124.04041	0.5
132.08191	1.0
134.06102	0.6
148.07655	1.6
152.07181	53.2
164.07141	0.5
166.08752	13.2
176.07146	1.1
194.08296	4.1
196.06177	31.0
238.07198	5.1
298.09409	3.2
358.11609	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	358.1626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82582	1.7
59.01393	25.7
61.98833	15.8
67.85149	1.4
72.00909	2.0
74.02483	100.0
76.57477	1.7
82.03014	2.7
82.06654	2.8
86.52492	1.7
92.05067	19.0
92.10802	4.2
98.02489	97.4
99.00885	2.7
100.00423	3.4
103.41039	1.6
108.04567	20.1
111.03269	2.0
112.02827	3.1
112.04050	2.6
112.07700	2.1
118.05124	7.1
125.03597	7.4
134.02509	3.8
136.04037	37.9
136.05000	2.2
138.09277	2.3
139.08777	4.2
140.07173	7.2
141.10359	6.9
150.09326	3.0
155.08324	3.0
161.93872	1.7
164.10818	2.5
166.08846	2.0
168.10300	17.7
169.09804	4.2
181.09805	2.6
194.08286	21.4
207.11447	17.9
212.09392	2.0
225.12444	7.5
227.08290	1.8
239.05783	4.0
257.11401	3.8
269.11475	53.5
313.14157	18.7
314.13580	18.7
358.16266	38.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73965	1.5
55.01899	4.5
57.03469	8.3
58.00619	7.8
58.49969	1.6
59.01387	30.0
61.98847	3.7
71.01385	54.9
71.01767	2.5
72.99422	1.8
73.02943	16.9
83.01418	11.3
85.02965	32.5
87.00903	3.1
93.97151	2.1
95.01414	7.8
95.05035	2.2
96.96027	3.0
99.00908	9.8
99.04568	7.4
101.02466	31.9
108.02164	3.4
109.02974	7.4
113.02457	22.9
121.03009	2.7
121.06586	2.7
122.03767	2.9
123.04530	25.0
125.02489	2.8
134.03755	2.3
135.04524	3.8
135.79794	2.0
136.05324	28.8
137.06071	15.6
142.11311	1.8
149.06128	7.8
150.06885	66.5
151.04131	2.9
151.07661	100.0
152.01137	3.6
159.02975	3.1
161.02434	2.6
161.04594	27.0
163.04016	4.5
165.05588	26.0
178.06432	2.5
180.04250	2.5
191.03549	2.5
195.03017	11.5
195.04994	4.0
195.06693	10.0
205.08669	4.4
209.08221	3.7
214.11357	2.4
220.07401	2.2
237.05586	3.2
237.07730	3.5
267.08792	25.2
269.08270	3.2
319.13882	1.9
357.08276	3.0
357.12039	8.9
372.30322	2.3
383.25253	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	357.1195
Annotation	Unknow
Peak:m/z	Relative Intensity
56.67417	0.7
57.69056	0.7
59.01394	4.4
70.96731	0.7
71.01395	1.7
76.69973	0.8
80.87016	0.7
87.00848	0.8
101.02502	0.8
102.87830	0.7
109.02953	0.8
114.17499	0.7
116.07208	1.5
116.73995	0.9
119.04836	0.7
123.04533	1.1
135.58231	0.7
136.05341	1.9
150.06879	100.0
151.07677	5.6
165.05621	0.9
175.03986	0.8
180.04210	1.2
194.05869	84.9
195.06609	4.4
196.02551	3.3
203.40721	0.8
281.79944	0.8
357.12030	40.7
357.16470	1.5
358.07611	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.1197
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.65128	0.5
58.52431	0.6
59.01387	9.3
65.00331	0.8
75.67243	0.6
81.03449	6.9
83.01405	1.1
93.48497	0.7
109.06629	4.6
111.04523	6.7
122.03757	2.4
125.02457	10.8
149.02518	0.8
151.00371	1.6
151.07666	46.0
153.05611	0.7
195.06654	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	357.1197
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
55.01883	1.8
59.01387	51.2
59.01684	1.7
71.01392	20.9
72.99274	1.9
78.51756	1.9
83.01385	2.3
89.02451	20.7
101.02449	8.6
104.25335	1.4
113.02474	4.0
119.03502	6.6
134.03757	2.7
161.02408	1.7
162.03244	100.0
163.03951	2.7
177.05588	96.7
185.43710	1.9
190.24042	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
55.14085	0.2
61.98835	100.0
88.64648	0.1
116.66298	0.2
122.17882	0.2
193.12402	0.2
220.14783	0.3
221.15552	1.2
236.10637	0.6
252.24573	0.2
356.97656	0.2
368.22296	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	7.5
57.03960	1.0
59.01389	10.7
61.98829	1.3
65.22018	1.0
71.01402	5.6
73.87309	1.1
81.03476	2.8
82.42438	1.3
83.01382	8.5
85.02965	1.6
86.37852	1.1
89.02473	2.2
93.03423	8.3
96.96031	2.1
101.02461	2.8
107.01389	1.3
108.02206	4.7
109.02973	2.3
113.02435	2.2
119.50386	1.2
121.02968	2.2
123.04530	31.9
125.02448	100.0
135.04539	26.2
137.02412	13.4
139.03993	2.3
149.02440	12.2
149.06076	2.6
150.06877	60.0
151.00317	1.6
151.04013	4.6
161.04491	1.5
163.04076	1.6
167.03508	56.1
177.01944	2.0
181.05150	1.3
191.03575	9.7
191.33685	1.3
195.03032	10.0
195.06653	2.2
205.08769	1.5
209.04549	1.5
215.87265	1.2
228.28319	1.3
267.08847	1.8
287.07858	2.9
329.08914	2.1
339.03506	1.1
357.08286	12.6
357.12189	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	356.0993
Annotation	cyclo-Dopa 5-O-glucoside
Peak:m/z	Relative Intensity
51.45564	0.4
59.01396	2.8
71.01402	1.1
75.42587	0.6
76.85471	0.6
85.02945	0.7
106.06638	100.0
113.02464	1.2
116.93737	0.6
118.06645	4.3
146.06113	0.9
150.05623	52.2
152.54062	0.6
164.07175	10.9
179.16054	0.6
190.75844	0.7
192.06711	4.4
194.04578	6.3
236.05511	0.9
277.54535	0.6
281.66452	0.6
296.07855	0.9
356.09970	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	356.12
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43544	0.8
51.76145	0.7
59.01389	100.0
61.98836	86.7
71.01379	1.3
74.51060	0.8
79.25755	0.7
82.40385	0.7
89.32901	0.8
92.10872	1.4
103.07389	0.9
111.99599	4.0
113.27573	0.8
113.99308	4.2
115.00379	1.0
123.04531	1.3
134.04723	17.3
153.05513	1.0
155.98566	6.5
157.98228	7.0
172.41655	0.8
174.01707	1.1
194.09407	1.4
201.01881	0.8
264.39935	0.8
356.10803	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	355.3222
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
57.24523	0.7
61.98834	1.7
68.76064	0.9
69.82645	1.0
70.84277	0.8
74.11988	0.7
79.81177	0.9
80.14754	0.8
103.80127	1.0
122.97865	0.9
127.81552	1.0
178.67958	0.9
218.24622	1.0
309.31586	4.0
353.30310	1.2
355.32233	100.0
356.32800	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	355.1611
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46918	0.8
51.01664	0.7
55.01890	1.6
55.66193	0.7
57.03456	4.0
58.00613	0.8
58.25951	0.7
59.01388	100.0
61.98832	1.5
66.31356	0.7
71.01389	34.1
72.97530	1.0
72.99320	4.1
73.02961	6.9
75.00879	1.0
76.51020	0.8
83.01419	5.0
85.02966	18.6
87.00912	1.0
89.02443	17.7
93.54784	0.9
95.01405	1.9
96.96014	5.1
99.00892	1.3
101.02448	24.6
103.00384	1.7
103.04008	11.4
106.93037	0.8
109.02989	1.0
111.00915	1.6
113.02467	11.5
119.03496	7.5
125.02383	1.3
129.01991	1.1
133.05064	0.9
133.08678	6.1
147.06647	1.5
159.03018	1.8
161.04597	16.4
179.05577	1.2
209.03012	1.1
295.14011	58.5
313.51389	0.9
315.11554	0.9
340.18640	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2857
Annotation	2-Monoolein
Peak:m/z	Relative Intensity
70.68627	2.5
126.80465	2.5
127.01067	2.0
145.38431	2.3
193.89012	2.5
210.82668	2.3
268.96640	2.7
293.28537	88.0
311.29407	2.7
337.27628	25.0
355.19495	9.9
355.28583	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	355.3224
Annotation	13-Hydroxydocosanoic acid
Peak:m/z	Relative Intensity
50.86572	1.5
56.28976	1.7
68.52820	2.0
90.37634	1.8
93.97227	2.1
97.19038	2.1
104.55019	2.4
188.85190	2.0
194.56755	1.9
211.85721	2.7
240.77216	2.3
268.78940	2.5
293.28827	4.6
310.37286	2.1
355.32272	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	355.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.79692	0.6
71.01395	0.6
77.30952	0.7
78.26536	0.6
80.00279	0.6
98.30994	0.8
121.02955	1.5
132.02226	0.8
133.02979	0.9
134.03743	100.0
137.02451	9.7
139.04021	3.3
149.06084	22.4
160.01637	2.8
175.03993	3.4
178.02719	44.6
193.05072	90.5
194.05428	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1251
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24604	0.3
51.77015	0.4
57.03436	0.3
59.01386	21.7
59.01690	0.7
71.01378	18.1
73.02936	3.8
75.00894	0.4
85.02947	4.1
87.00878	10.6
87.04505	5.2
89.02445	12.3
92.10153	0.8
96.96036	0.5
99.00874	0.4
101.02441	3.7
103.04037	0.7
104.31115	0.4
113.02437	4.8
117.01961	0.6
119.03487	2.9
131.03516	1.6
133.05072	100.0
149.04584	1.9
161.04550	1.7
175.06102	0.9
179.05666	0.5
203.31900	0.4
205.07231	1.7
208.73497	0.4
295.13867	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	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52312	0.4
56.06054	0.4
58.00593	0.5
58.41595	0.4
59.01386	14.2
71.01395	4.4
83.57557	0.5
85.02975	0.9
89.02451	3.7
93.87918	0.5
95.01388	0.7
101.02450	1.2
111.00922	0.6
113.02464	0.7
119.03462	1.0
132.02171	22.5
134.03746	11.4
141.48518	0.5
147.04510	0.7
149.06110	2.3
152.12872	0.5
160.01668	100.0
161.01947	0.7
171.33804	0.6
175.04012	91.0
176.04695	1.0
191.07028	1.1
193.05096	9.7
202.02756	0.7
217.05066	3.9
235.06105	1.3
295.08160	1.0
355.10464	5.6
361.90704	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1039
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03457	1.4
59.01384	13.2
59.99202	0.6
66.61575	0.4
71.01382	6.4
85.02962	2.9
89.02448	3.0
92.10795	1.4
101.02454	2.5
113.02428	2.4
119.03514	0.7
125.02445	9.6
132.02180	22.4
134.03741	13.2
134.05321	0.6
147.04524	1.0
149.02396	0.8
149.06073	3.4
151.04013	2.5
160.01663	100.0
161.02336	3.0
175.04010	93.9
176.04645	1.3
177.01918	0.6
191.07114	1.2
193.01408	0.7
193.05061	11.7
202.02672	1.0
217.05043	3.2
235.06195	3.1
242.85170	0.5
287.05374	0.9
295.08289	1.0
355.10544	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	354.9763
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25450	1.6
55.01876	2.6
55.30630	1.8
57.03468	5.2
59.01387	36.5
63.29104	2.0
71.01396	11.5
77.04002	2.2
79.70789	2.2
85.02946	38.7
87.00896	3.5
92.10738	4.4
96.95381	2.8
96.96004	65.8
98.95599	100.0
98.96439	18.2
99.92583	52.9
100.93382	4.2
102.38371	2.1
104.82098	2.4
105.03507	3.4
111.00905	2.2
115.92069	63.3
116.92848	32.8
121.02917	3.3
122.03728	2.4
123.04510	10.6
127.01048	2.6
131.03476	2.9
147.02968	2.2
149.06032	2.7
161.06105	16.9
163.04065	3.3
165.05577	2.9
170.93915	82.0
191.01978	2.7
193.01497	2.7
205.96823	16.6
206.95641	2.7
206.97569	68.3
209.03082	17.4
219.94713	2.7
237.95657	9.8
238.96518	10.0
239.60530	2.4
248.98628	48.1
257.05536	3.9
292.97610	2.4
295.08429	3.5
318.95453	10.2
330.60370	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	355.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	4.5
59.01387	6.4
67.66632	0.7
71.01398	6.9
73.02944	18.0
83.01396	4.2
85.02972	1.5
87.00890	1.3
87.04529	2.0
89.02433	1.0
99.00865	2.0
101.02444	31.4
103.00375	27.5
103.59813	0.8
114.39127	1.0
115.00372	4.4
115.03957	0.8
117.05591	4.0
119.03503	24.0
127.00414	6.9
133.01407	1.4
145.01434	24.7
145.05080	1.1
161.48811	0.8
163.02499	100.0
163.06134	65.6
217.78651	0.9
293.47717	1.0
328.46320	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1042
Annotation	trans-p-Feruloyl-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.18212	1.1
54.11404	1.2
57.03458	2.0
57.28156	1.2
58.00614	1.1
59.01384	25.8
60.85423	1.2
61.98827	13.9
71.01385	7.8
72.99320	3.2
73.02959	7.4
75.00877	1.4
82.17043	1.4
83.01409	5.6
85.02949	23.9
87.00880	5.3
89.42999	1.3
92.10128	2.7
97.23454	1.2
111.00885	11.3
113.01370	1.7
113.02472	2.1
113.99557	1.9
115.00375	9.2
121.02968	2.0
133.05099	2.8
135.04521	2.7
137.02457	2.8
149.02454	3.0
158.48540	1.4
161.06102	9.4
164.04817	3.3
174.01701	64.9
175.02524	2.9
179.07124	2.2
191.01945	2.3
193.01453	11.1
193.03238	1.3
209.03078	8.0
209.08197	1.8
215.51826	1.4
223.06125	5.2
237.07707	2.6
265.07086	9.5
295.08237	12.7
299.40152	1.8
355.06812	6.4
355.10413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07159	1.0
58.44410	1.1
59.01384	2.9
72.22263	1.2
75.49201	1.3
77.00760	1.2
79.95734	18.4
94.98104	1.3
95.95248	2.5
96.96012	95.7
119.91853	1.3
122.97582	7.2
137.86832	1.2
147.45612	1.2
183.17566	1.5
191.05582	1.5
297.72263	1.2
335.20447	1.3
353.20129	100.0
354.06540	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	353.2313
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32461	1.7
62.25507	1.9
62.96663	1.7
63.98914	1.7
93.70947	1.8
104.94912	2.1
109.61854	2.0
128.85753	2.1
187.44426	2.1
191.05659	2.1
205.62421	2.4
223.20683	2.0
225.22287	71.9
252.85429	2.6
271.22830	100.0
271.25684	4.3
353.22824	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	353.3062
Annotation	22-Oxo-docosanoate
Peak:m/z	Relative Intensity
55.94676	1.6
57.01885	1.3
67.44095	1.7
67.44468	1.4
80.22373	1.5
87.00992	1.8
101.36881	1.8
181.94441	1.8
183.00853	1.7
209.08078	1.9
272.14499	1.8
353.30658	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	354.1046
Annotation	Unknow
Peak:m/z	Relative Intensity
53.25178	0.2
59.01382	3.3
61.01819	0.3
61.98835	100.0
68.93173	0.3
71.01382	0.3
76.58138	0.2
80.75220	0.3
85.02969	0.4
89.61693	0.3
104.32489	0.3
105.21141	0.3
113.08640	0.3
143.47826	0.4
154.08693	0.3
158.44775	0.3
339.80609	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1926
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98952	0.6
59.01387	13.0
59.83319	0.6
61.98832	100.0
68.96677	0.7
112.74319	0.8
123.23924	0.8
135.03687	0.9
192.41588	0.7
257.11554	0.8
296.19962	0.8
376.76279	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
57.46643	0.2
59.01387	3.0
63.00745	0.2
63.79060	0.2
64.34800	0.3
71.01385	0.2
75.00860	0.3
79.95737	1.0
85.02954	0.3
87.00890	2.6
92.65857	0.2
96.96009	100.0
99.92577	0.8
101.02503	0.2
115.92084	0.5
119.05022	0.9
120.58794	0.2
121.02934	0.5
122.03728	0.5
123.04527	12.9
131.07159	0.4
132.98161	0.3
145.02950	0.4
149.06097	2.7
150.03239	0.3
161.02454	0.3
163.03970	0.4
165.05566	2.1
179.00198	0.3
191.02029	0.3
193.05083	1.6
195.03024	2.6
218.97646	0.2
221.01387	0.8
232.98523	0.2
246.97198	0.3
255.05151	12.1
292.99847	1.6
337.07944	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0519
Annotation	Unknow
Peak:m/z	Relative Intensity
56.73331	0.5
59.01386	44.2
60.81388	0.6
61.98836	15.5
67.01897	5.4
71.01393	2.9
72.99321	5.1
73.02958	3.2
83.01382	5.5
85.02953	23.6
89.02438	0.7
90.25916	0.6
92.10117	0.7
99.00859	1.2
101.02467	4.9
111.00887	100.0
113.02493	1.0
117.01939	1.4
129.01956	6.0
135.04530	9.8
147.04616	0.7
154.99887	12.2
161.04562	0.9
173.00934	19.9
179.03442	3.3
191.01984	11.6
191.03558	1.1
191.05481	0.6
191.12915	0.7
246.71201	0.6
270.22711	0.6
293.15900	4.4
357.81281	0.6
370.64441	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.052
Annotation	Unknow
Peak:m/z	Relative Intensity
54.37238	0.3
54.43899	0.4
56.99715	0.3
59.01389	25.4
61.98845	1.6
67.01901	4.3
70.13933	0.3
71.01382	2.2
72.99306	5.0
73.02954	2.3
77.03055	0.4
83.01400	4.7
85.02958	22.3
85.92809	0.3
86.14969	0.4
87.00873	0.7
88.99217	0.4
89.02439	0.4
93.03468	0.6
99.00882	0.8
101.02460	4.1
107.05069	0.4
111.00892	100.0
112.01195	0.4
113.02464	0.6
117.01949	2.5
129.01982	4.5
133.02959	0.7
134.03757	0.8
135.04532	8.1
147.66844	0.5
153.01950	0.5
154.98595	0.5
154.99884	12.7
155.07146	0.4
161.04604	0.6
173.00928	19.5
179.03523	4.2
179.95758	0.4
191.02002	12.7
191.05624	9.3
230.84114	0.4
293.16086	0.9
305.00494	0.4
353.17935	0.5
371.08551	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.103
Annotation	Fremontin
Peak:m/z	Relative Intensity
54.83673	2.9
59.01404	2.5
60.14702	2.7
60.21289	2.3
61.81247	2.8
74.80071	3.7
84.57701	3.0
85.02954	2.7
97.45065	3.5
99.37814	3.0
108.02179	7.0
111.00899	16.2
117.03461	3.2
123.04513	7.0
131.15826	3.2
133.02951	3.6
134.03746	100.0
145.02937	3.0
149.06090	88.1
161.02371	3.5
163.04045	7.2
173.02473	7.9
177.01961	35.8
189.01895	4.3
191.05559	4.0
196.76657	3.2
201.01993	39.5
230.70882	3.4
323.05713	14.5
353.10312	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91092	0.2
58.46333	0.2
58.86723	0.2
59.01382	4.2
60.01721	0.3
61.98834	100.0
71.01392	0.2
72.99296	0.3
85.02962	1.4
89.31117	0.2
101.02444	0.2
111.00895	5.9
112.01188	0.8
112.69257	0.2
154.99948	0.4
162.44519	0.3
173.00908	1.2
191.01863	0.3
203.34013	0.3
210.53464	0.3
225.71571	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.0189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97135	0.2
59.01393	3.6
73.02959	0.2
79.95746	1.3
85.02967	0.3
87.00891	3.0
96.96014	100.0
99.92617	0.5
111.00864	0.3
114.40583	0.3
115.92049	0.4
116.92860	0.3
119.04984	0.5
121.02972	0.3
122.03730	0.3
123.04528	10.5
132.98183	0.6
135.09732	0.2
149.06075	2.9
149.11398	0.2
163.04008	0.5
165.05565	2.1
188.90656	0.3
191.05522	0.5
193.05099	2.0
195.02966	2.3
221.01324	0.5
232.98572	0.3
251.99568	0.3
255.02446	0.4
255.05135	10.7
281.36057	0.3
292.99799	2.4
345.54517	0.3
352.34695	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01875	0.7
59.01385	100.0
59.38633	0.5
63.22010	0.4
71.01382	7.0
73.02946	3.1
83.01398	0.5
83.53450	0.6
84.33565	0.4
85.02957	4.5
89.02432	0.6
92.66087	0.5
95.01380	0.5
99.00893	0.9
101.02478	4.5
113.02456	3.3
143.56062	0.5
147.06612	1.2
161.04553	9.7
291.10873	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1301
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29409	0.5
56.40325	0.4
58.75222	0.6
59.01392	100.0
66.44202	0.6
70.91353	0.5
71.01384	8.8
73.02972	2.3
77.72498	0.5
85.02968	4.8
91.83201	0.6
99.00905	0.5
101.02460	5.2
113.02497	2.9
147.06671	0.8
161.04570	9.2
291.10913	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1665
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03462	0.8
59.01385	74.0
65.00333	0.6
68.99840	0.8
71.01374	4.3
73.02965	0.7
74.27764	0.4
74.34555	0.4
77.36324	0.3
78.25074	0.4
83.01387	9.7
85.02969	2.5
89.02451	2.3
93.03459	0.7
101.02448	3.4
101.39509	0.4
101.77676	0.4
107.01396	1.7
109.02972	4.3
111.00896	2.6
113.02471	1.9
125.02438	8.4
131.34998	0.4
133.02975	2.8
137.02438	0.4
151.00389	13.5
153.01953	100.0
154.02258	0.9
161.04523	3.1
167.03487	0.8
173.04485	0.7
177.01897	1.8
191.05634	0.7
195.02950	3.0
213.78535	0.5
291.14505	4.1
315.07321	19.7
346.67084	0.5
351.03665	0.6
351.16461	0.9
351.20441	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	351.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03448	0.7
57.33706	0.5
59.01386	100.0
61.98847	4.5
64.26175	0.5
67.01912	3.1
71.01391	5.5
72.99310	2.6
73.02932	0.9
83.01380	4.6
85.02962	8.3
89.02443	3.2
94.19371	0.6
99.00874	1.1
101.02464	5.8
105.03445	1.0
111.00893	62.1
113.02480	1.0
119.03481	1.2
129.02005	0.9
132.58934	0.6
133.02939	2.8
153.01915	3.7
153.03040	0.7
154.99875	7.0
161.04576	3.1
169.06552	1.0
171.04463	2.4
173.00926	13.2
187.07646	4.1
201.05592	0.6
203.03436	0.8
252.92998	0.7
291.14478	7.5
351.03812	1.2
351.16550	2.8
351.20300	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	351.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	2.3
63.14238	1.9
64.35388	2.1
67.83658	2.3
69.03502	2.3
75.96870	2.2
76.58167	2.4
87.00874	60.6
87.01366	3.6
91.16113	2.0
97.06590	18.2
104.63900	2.2
118.17750	2.4
121.02948	5.5
123.04516	11.5
125.57726	2.2
130.99893	15.6
146.03726	23.8
147.04547	15.4
149.06075	3.1
161.06137	4.6
162.06877	3.7
163.07643	4.5
172.05327	12.8
173.06102	5.2
174.03275	5.8
174.06854	2.9
175.04039	11.9
175.07678	50.7
176.04865	3.5
186.06870	10.2
187.07692	14.1
188.04839	5.2
189.05557	5.8
189.99821	2.9
190.06357	15.7
191.10887	2.5
200.04831	25.6
201.09261	18.6
203.07130	18.8
204.07980	9.6
215.07172	2.9
217.08801	21.0
219.10295	28.2
227.10812	8.8
228.08003	3.4
229.08740	73.0
245.08173	4.3
245.11882	4.4
247.09766	9.3
263.05063	2.5
273.07794	37.1
275.90042	2.2
289.10898	3.8
320.71222	2.6
333.09726	17.4
351.10925	100.0
365.79999	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	351.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83357	0.4
59.01389	9.3
62.74185	0.4
71.01405	0.5
72.38921	0.4
87.00900	3.6
92.66013	0.4
95.05028	0.5
96.96027	4.2
105.39523	0.5
123.04535	65.6
142.00238	0.6
153.05594	100.0
165.05573	0.6
174.04274	0.5
187.63988	0.5
195.38020	0.4
253.03636	0.7
315.10919	20.5
337.28674	0.5
351.03662	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1088
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40783	1.8
54.42034	2.0
59.01385	3.6
68.38157	2.3
69.03466	4.5
86.47459	2.1
87.00872	56.4
91.12497	1.9
92.10179	2.4
97.06590	11.5
121.02938	8.6
122.03720	2.7
123.04517	11.1
128.75523	2.1
130.99872	15.4
146.03757	23.8
147.04533	13.0
149.06081	5.2
161.06120	3.6
162.06911	2.8
163.07634	11.0
172.05289	12.3
173.06085	9.6
174.03221	4.6
175.03970	7.7
175.07646	56.7
176.04805	3.6
185.06078	2.7
186.06859	12.1
187.07629	11.9
188.04779	8.6
189.05595	10.2
189.09244	2.4
190.06395	18.5
199.03931	3.0
200.04831	32.6
200.08461	2.0
201.05533	3.3
201.09230	18.5
203.07112	18.1
204.07965	4.9
214.06552	2.1
216.07887	4.1
217.08763	15.7
219.10301	26.7
227.10786	8.5
229.06400	2.5
229.08687	76.6
229.10794	4.2
245.08195	9.0
245.11862	4.4
247.09703	8.2
254.04369	3.4
271.09723	3.7
273.07709	42.4
289.10831	5.3
333.09830	13.4
351.10922	100.0
370.90988	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	350.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89183	71.8
51.64031	69.9
59.01389	100.0
64.82167	83.8
108.44660	86.3
113.40731	81.0
153.03439	88.3
205.49158	94.4
302.41550	90.0
334.69812	94.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.0493
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03483	0.5
59.01389	22.4
60.55949	0.3
65.00336	0.6
67.01913	0.3
68.99827	0.5
71.01396	1.9
81.03498	0.4
83.01395	7.4
85.02962	1.3
89.02457	0.5
93.03439	0.5
95.05037	0.3
97.02926	0.4
101.02432	1.6
107.01411	1.3
109.02948	4.0
111.00909	1.8
113.02504	0.6
125.02445	7.3
133.02969	1.9
139.04048	1.3
144.68376	0.4
146.07564	0.3
149.02449	0.7
151.00371	12.1
152.01144	0.4
153.01944	100.0
154.02303	0.5
160.96057	0.3
161.04501	0.7
167.03519	0.5
173.68396	0.3
177.01907	1.8
193.07365	0.4
195.03009	2.5
214.36186	0.3
249.08904	0.3
291.14557	0.7
315.07272	23.1
348.92505	0.4
351.03729	0.7
351.16534	0.5
351.20349	2.1
370.89752	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.57725	0.3
57.03458	1.9
59.01394	2.9
61.59044	0.4
71.01402	0.6
72.64863	0.4
72.99352	0.4
76.58666	0.6
78.95901	41.1
79.95744	2.5
83.01411	2.0
85.02972	1.9
88.37433	0.4
89.02468	0.5
91.20490	0.4
95.27703	0.5
96.96016	100.0
96.96967	65.5
97.06502	0.4
101.02441	2.7
111.00889	8.6
127.00376	2.9
127.02078	5.2
127.04066	0.7
129.01965	0.6
145.01382	0.8
145.62973	0.4
149.04570	0.5
189.02136	0.8
209.45015	0.5
274.85855	0.5
317.03265	4.1
349.05896	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	350.0523
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01376	0.3
61.98833	100.0
66.12900	0.2
66.40411	0.2
70.92478	0.2
71.12189	0.2
76.01305	0.2
83.80055	0.2
88.06288	0.3
107.01373	0.3
121.02954	0.5
121.46442	0.2
135.04524	2.9
146.02429	0.2
151.00418	1.8
163.40276	0.2
171.12964	0.2
185.61618	0.2
191.68875	0.2
204.46039	0.3
239.05513	0.2
239.57706	0.2
287.05533	1.1
312.86807	0.2
314.03970	1.0
351.10928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19967	0.4
50.40215	0.4
54.82658	0.4
59.01384	100.0
61.98846	1.8
63.89903	0.4
65.24422	0.4
68.03303	0.5
95.46535	0.4
95.88029	0.5
126.72908	0.5
138.40555	0.4
163.82870	0.5
178.87869	0.5
181.37076	0.5
204.02495	0.4
233.69716	0.5
285.04160	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0586
Annotation	Ibhayinol
Peak:m/z	Relative Intensity
55.01891	0.7
55.56237	0.6
57.03453	6.8
59.01400	1.1
60.50101	0.6
61.01028	3.0
64.16473	0.6
67.01897	4.1
71.01397	4.0
72.99297	0.8
73.02956	1.6
74.06189	0.6
78.95945	3.1
83.01404	6.1
85.02962	6.6
87.00870	0.8
89.02460	2.8
92.66650	0.8
96.96945	5.6
99.00907	2.8
101.02445	14.2
111.00891	100.0
112.01306	0.6
113.02496	0.9
115.00374	3.9
115.02092	3.2
116.19134	0.6
127.00407	12.8
127.02081	23.6
127.02953	1.4
133.69170	0.7
139.04083	1.0
145.01439	8.4
149.04576	4.5
154.99892	1.0
156.03093	0.8
157.03143	3.4
159.01076	1.3
159.04706	0.8
171.01060	1.3
172.12907	0.8
173.00888	0.9
175.04176	3.8
189.02118	8.8
203.03725	1.0
217.01688	1.4
273.04254	1.7
317.03293	16.3
317.06808	1.3
336.76917	0.8
349.02640	1.9
349.05902	54.8
349.09494	4.6
367.47418	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82345	1.0
54.82958	1.3
57.03456	2.5
67.01909	1.3
70.53214	1.4
71.01392	4.8
78.95911	1.3
80.53263	1.2
84.04550	83.9
85.02957	2.2
88.04044	1.8
89.02435	1.4
91.48985	1.1
94.02983	91.3
97.01723	1.4
99.00903	2.2
100.04173	1.2
101.02457	5.2
111.00890	48.8
112.01239	2.5
112.04068	7.5
112.98822	6.2
114.60709	1.4
125.02423	1.4
126.02534	2.2
138.01979	85.2
142.99875	2.2
145.01443	2.7
156.03041	100.0
173.00980	2.3
179.54802	1.3
348.06274	19.5
348.09918	2.8
349.05911	2.7
349.52191	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0861
Annotation	10-Hydroxydihydrosanguinarine
Peak:m/z	Relative Intensity
56.42757	14.9
59.01405	17.6
60.40923	16.2
61.98839	38.1
67.11176	15.1
68.77772	14.3
77.76199	18.4
79.41365	15.8
92.10223	19.0
101.50578	16.7
112.66211	19.5
135.04587	21.7
150.05612	100.0
178.06015	21.2
190.05978	23.1
278.07306	17.3
287.82858	19.6
312.08252	18.2
346.94968	20.8
348.08524	69.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0364
Annotation	Unknow
Peak:m/z	Relative Intensity
59.47730	0.3
61.65148	0.2
61.98837	14.2
65.00343	1.5
69.21147	0.2
71.29392	0.3
79.07318	0.2
79.35322	0.3
83.01412	0.6
101.41415	0.3
101.73183	0.3
105.03447	0.5
107.01411	3.3
133.02960	22.0
135.04626	0.3
136.04843	0.4
147.04335	0.3
149.02451	2.7
151.00386	7.4
165.95317	0.3
175.04024	4.1
186.12328	0.3
197.06235	0.6
198.03185	0.4
199.04001	2.9
200.73738	0.3
201.01939	1.8
213.05571	0.4
215.03497	0.5
217.05098	1.8
233.83971	0.3
241.05127	1.7
243.02985	0.6
285.04089	100.0
286.04526	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2444
Annotation	Unknow
Peak:m/z	Relative Intensity
54.36187	0.3
57.03450	6.7
59.01379	2.8
71.01379	0.6
71.05014	4.4
76.57697	0.4
83.05031	7.1
85.02951	0.7
96.95998	4.1
97.21185	0.3
100.51980	0.3
111.63369	0.4
115.07656	3.2
117.94751	0.3
127.11237	0.9
127.52248	0.4
129.09158	0.5
141.12851	0.7
145.08672	0.6
155.10760	0.4
159.10316	0.9
169.12355	4.7
171.13910	2.9
185.15489	0.4
187.04153	0.4
187.13341	0.7
211.17059	1.9
229.99821	0.5
241.14572	0.5
253.18025	0.9
266.44543	0.4
329.23425	4.8
345.22699	1.6
347.12094	2.5
347.24438	100.0
348.24719	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.0363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72598	0.3
59.47699	0.4
61.98837	100.0
71.15951	0.3
75.23605	0.3
84.49828	0.4
89.30882	0.4
120.50534	0.4
123.48561	0.3
129.95358	0.4
135.87877	0.4
151.00381	0.7
184.28484	0.4
216.10387	0.6
242.15475	1.7
285.04111	18.5
304.11862	0.6
304.15460	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92588	0.2
54.06371	0.2
57.03447	2.6
58.00610	0.3
58.60895	0.2
59.01397	0.3
69.03468	0.3
71.01407	0.6
71.05033	1.0
73.02943	8.3
83.05045	1.4
85.06609	1.4
87.04531	1.1
90.70786	0.3
92.21967	0.3
97.06585	0.6
113.63091	0.2
129.09210	0.6
137.84669	0.3
141.12865	1.1
169.12357	1.6
181.15892	0.3
183.13887	1.2
185.15456	2.3
195.33376	0.3
197.15361	0.3
213.18611	0.6
251.13922	0.3
257.21185	1.4
287.22418	0.5
301.23993	0.4
329.23383	4.1
347.24423	100.0
348.24905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.92588	0.2
54.06371	0.2
57.03447	2.6
58.00610	0.3
58.60895	0.2
59.01397	0.3
69.03468	0.3
71.01407	0.6
71.05033	1.0
73.02943	8.3
83.05045	1.4
85.06609	1.4
87.04531	1.1
90.70786	0.3
92.21967	0.3
97.06585	0.6
113.63091	0.2
129.09210	0.6
137.84669	0.3
141.12865	1.1
169.12357	1.6
181.15892	0.3
183.13887	1.2
185.15456	2.3
195.33376	0.3
197.15361	0.3
213.18611	0.6
251.13922	0.3
257.21185	1.4
287.22418	0.5
301.23993	0.4
329.23383	4.1
347.24423	100.0
348.24905	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01395	22.0
59.74060	4.4
61.98837	7.7
78.01846	4.5
80.15376	5.1
92.10086	14.2
111.08143	6.8
114.94707	4.8
115.04032	22.3
121.03010	6.1
128.07991	4.9
145.80458	5.8
173.08214	20.4
208.33940	4.9
222.80220	5.1
291.19528	6.5
293.21350	7.6
309.20825	19.1
311.22342	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	347.1998
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82743	2.4
59.01394	2.4
59.30527	2.1
68.37717	2.6
68.84747	2.8
73.59992	2.5
77.89684	2.4
110.79736	2.7
127.83366	2.8
195.13916	10.6
232.65163	2.5
235.12102	2.6
265.71762	2.8
293.21146	5.1
311.22354	100.0
352.94098	2.7
353.45218	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	347.1978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16568	5.3
58.02983	43.3
59.01384	49.9
59.57253	5.2
59.95452	4.8
62.90455	5.7
83.24181	6.2
99.00892	8.2
105.14510	5.9
111.84415	6.7
127.67747	6.5
168.13925	100.0
212.12923	7.7
293.98734	6.1
304.19232	12.2
309.17529	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	347.2
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12739	4.5
73.51161	4.8
79.74621	4.8
187.18730	5.1
210.59116	4.9
211.13284	6.4
224.84909	5.4
311.22336	100.0
316.71191	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	347.0988
Annotation	Unknow
Peak:m/z	Relative Intensity
54.67184	0.4
57.03468	0.5
57.31259	0.5
59.01390	100.0
59.75357	0.5
66.36090	0.5
66.45876	0.5
69.16658	0.5
71.01383	6.3
73.02959	2.6
80.06797	0.5
82.62940	0.6
85.02964	3.1
96.96003	0.9
97.02947	1.1
99.00876	0.7
99.85149	0.6
101.02432	3.3
102.14894	0.6
111.00896	0.9
112.04090	0.6
113.02456	3.2
125.02450	5.3
130.19606	0.7
161.04602	6.9
163.98253	0.7
167.05391	0.8
174.09203	0.6
345.96655	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1718
Annotation	Unknow
Peak:m/z	Relative Intensity
50.04831	3.7
50.43536	4.2
63.27578	4.6
79.06429	5.2
92.10097	11.3
107.04346	4.4
114.39596	5.9
178.32030	6.6
217.07295	44.6
283.20471	5.3
285.13434	25.2
301.16647	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	346.2755
Annotation	Anandamide
Peak:m/z	Relative Intensity
50.90336	2.0
52.92286	2.1
58.02990	17.5
59.22625	2.3
61.25192	2.3
65.41850	2.4
66.33612	2.2
82.06640	3.5
92.10121	9.3
100.97601	2.6
128.10815	46.3
148.87126	3.3
346.27594	100.0
354.66379	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	347.0796
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	1.6
59.01384	17.9
61.01030	6.3
61.98822	1.6
67.71540	1.2
69.03459	2.2
71.01383	4.4
73.02975	1.6
83.01369	11.8
85.02960	2.4
85.06584	2.7
95.05022	12.9
96.96013	2.4
97.02970	2.2
99.00848	10.0
101.02464	5.9
109.02938	14.1
111.00914	7.5
113.06076	10.4
115.03995	1.6
119.05033	1.4
127.00372	44.5
127.02013	9.8
135.04539	27.8
139.04012	65.9
143.05008	13.8
145.01442	1.5
145.03027	1.3
149.06085	14.4
159.04517	1.6
161.06064	22.6
163.07791	1.2
171.04536	18.3
174.03268	5.0
177.05585	7.5
179.03474	2.2
188.04767	1.9
189.02122	16.7
189.05589	100.0
201.05762	15.9
207.06635	8.1
214.50797	1.3
221.04601	3.0
233.04521	3.0
237.59583	1.3
251.05658	1.8
269.25650	1.2
311.07733	15.8
328.05783	1.2
347.07996	96.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0782
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76508	0.4
53.51366	0.4
56.47921	0.4
86.14429	0.6
86.79550	0.5
87.44395	0.5
104.24394	0.6
111.00876	2.5
124.95894	0.5
139.00395	10.3
140.82909	0.6
167.99388	12.3
169.00177	100.0
170.00940	0.8
183.01753	4.3
184.02521	82.4
224.29219	0.6
325.06866	0.7
346.07855	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	346.0938
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04670	0.8
61.98838	100.0
70.56284	0.8
71.17519	0.8
75.74799	0.8
93.65419	0.9
114.40221	1.1
122.48208	0.9
175.59645	0.9
191.18880	0.9
278.68085	1.0
298.78415	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.0122
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79996	0.3
59.01395	27.3
60.01723	1.7
61.01826	0.3
61.77466	0.2
61.98842	100.0
62.75087	0.3
67.42099	0.3
74.80546	0.3
76.01849	0.3
78.60110	0.3
89.77280	0.3
92.10688	0.4
93.23106	0.3
113.58974	0.3
119.14437	0.3
128.94907	0.3
153.31735	0.3
158.03798	0.5
201.02577	2.9
202.02745	7.7
203.02333	6.8
204.00032	32.3
204.02803	1.7
221.17496	0.3
292.90567	0.3
346.03949	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88770	0.4
52.62514	0.5
55.01883	1.0
59.01387	11.5
61.98831	0.5
63.04675	0.5
64.00608	0.4
71.01385	7.5
71.05018	9.9
71.21023	0.5
72.99323	0.9
73.02923	0.9
75.26315	0.6
78.95911	0.9
83.01394	2.5
85.02960	4.0
87.00891	2.1
89.02435	7.9
93.03462	1.1
95.05013	6.1
96.96024	3.8
96.96941	0.7
97.02952	24.6
99.00912	0.8
101.02441	3.0
103.70656	0.8
109.02966	1.1
111.00884	10.1
113.02460	1.4
119.03497	1.1
119.05019	2.2
120.04547	0.7
121.02963	3.2
123.00880	0.8
123.04568	0.7
124.01676	2.6
125.02431	2.6
127.00347	1.0
127.44623	0.5
131.01067	0.5
135.04543	1.3
136.93303	0.5
137.02484	4.2
138.03224	5.1
138.05698	0.5
139.04022	100.0
141.89352	0.5
147.04530	0.8
149.00943	1.1
150.03194	0.7
151.03996	3.0
161.04491	0.5
163.03993	0.8
165.01924	10.2
165.03860	2.1
169.01479	0.8
183.03018	4.5
284.92963	0.6
287.47830	0.6
294.77194	0.6
301.11261	0.8
309.11911	2.5
345.02737	3.1
345.08170	24.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0985
Annotation	Nigrolineaxanthone U
Peak:m/z	Relative Intensity
51.22612	0.9
54.83124	1.0
59.01401	5.0
72.01295	1.1
81.87262	1.4
86.96012	1.1
108.02194	34.6
123.04497	1.7
134.03748	32.6
136.01665	66.3
145.88429	1.3
149.05032	1.7
149.06105	30.1
150.03246	2.4
151.04025	100.0
165.05586	19.2
179.07268	1.5
195.02959	4.9
212.69684	1.1
289.48694	1.5
327.08685	14.3
343.55661	1.5
345.09799	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	345.1195
Annotation	3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
50.60165	0.5
51.86402	0.5
55.01892	0.7
57.03455	0.9
59.01388	100.0
62.27555	0.5
69.61787	0.5
71.01389	7.2
73.02951	1.2
75.00889	1.2
83.01407	0.8
85.02517	0.7
85.02977	4.6
85.03439	0.6
94.73120	0.5
95.01430	0.6
96.96009	16.1
99.00903	0.5
101.02445	4.5
108.02193	12.1
113.02486	3.3
123.04535	17.9
127.25943	0.5
130.08763	0.6
132.56163	0.6
132.98225	2.8
143.42816	0.7
161.04628	8.1
161.08241	2.5
161.55060	0.6
186.97572	0.6
209.96425	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55561	0.1
55.80156	0.1
56.37871	0.1
58.73985	0.1
65.99869	0.3
70.06665	0.1
71.05061	0.1
106.91206	0.1
109.02947	0.3
111.47743	0.1
123.04505	0.3
124.16676	0.1
134.77757	0.1
135.04514	0.2
137.02449	3.1
151.04030	2.3
152.04807	7.2
167.02231	2.6
167.08484	0.1
177.03290	0.1
180.03047	0.9
181.03802	3.2
182.04610	100.0
183.04927	0.8
199.01236	1.5
204.61960	0.1
344.09918	14.9
358.68085	0.2
367.60553	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1721
Annotation	Unknow
Peak:m/z	Relative Intensity
80.72916	100.0
88.80844	88.5
92.65866	95.6
110.81833	93.0
144.40079	94.6
187.84187	89.3
218.47652	98.9
321.19586	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87956	0.8
55.01875	0.8
57.03465	1.4
58.00610	1.9
59.01387	100.0
69.94554	0.7
71.01387	46.5
71.01778	1.7
72.99316	3.3
73.02957	0.7
83.01398	1.5
85.02953	9.6
87.00886	1.0
89.02448	46.1
93.87034	0.8
95.01377	3.2
101.02448	22.9
104.42735	0.8
111.20956	0.9
113.02474	16.6
119.03506	15.6
121.02270	0.8
122.03732	1.1
136.05322	0.8
143.03471	1.1
152.03546	4.6
163.00374	1.3
166.05104	12.3
172.25211	0.8
179.05652	4.1
180.03041	2.0
182.04617	34.1
182.16342	0.7
194.04611	1.1
224.05673	8.4
236.05746	3.1
284.07739	1.9
284.10950	0.8
344.09933	50.3
369.65826	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.0992
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69199	0.2
59.01102	0.6
59.01396	14.2
61.94504	0.2
71.01400	6.5
83.84944	0.3
85.02966	1.6
89.02453	6.5
90.77660	0.3
92.10699	0.6
95.01391	0.5
101.02448	2.5
113.02427	2.1
119.03510	2.2
134.03755	10.0
138.02007	0.5
164.03552	100.0
165.03937	0.6
166.05048	0.3
179.05649	0.3
182.04630	2.5
224.05753	0.3
273.53775	0.3
276.48181	0.3
344.09933	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	343.1683
Annotation	Unknow
Peak:m/z	Relative Intensity
54.24498	7.5
55.88834	9.6
59.01379	79.1
60.87822	8.6
76.25645	9.8
79.66470	9.6
83.70377	11.5
89.16483	9.9
91.91559	10.5
113.88621	9.4
121.02937	12.5
133.02950	75.8
150.79883	11.5
187.48592	9.7
283.09814	100.0
289.18088	57.3
307.19131	48.7
343.28885	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	344.0989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.7
57.03449	1.6
58.00587	1.5
59.01387	100.0
61.59338	1.2
61.98845	7.2
69.86208	1.3
71.01382	39.6
72.99318	3.3
73.02969	1.8
83.01419	2.4
85.02952	12.9
87.00913	2.7
89.02452	34.5
92.05066	10.2
92.10711	1.4
94.02959	4.2
95.01428	3.2
96.96020	6.5
97.02968	2.7
99.00884	3.2
101.02444	22.2
108.04595	6.0
111.00919	1.8
113.02454	11.8
119.03529	11.9
119.05045	8.4
120.04573	27.0
120.05397	6.8
121.02988	6.7
122.03319	3.4
122.06153	8.8
127.00465	1.9
129.54584	1.6
133.01546	3.0
136.04056	12.3
137.48511	1.3
138.05629	54.1
139.04010	18.8
150.04181	5.2
152.04361	2.0
164.03554	78.7
180.06717	5.1
300.10989	16.9
344.10013	68.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1514
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88898	0.8
58.36258	0.7
59.01392	6.1
63.37186	0.7
63.77184	0.7
67.01906	0.8
67.24630	0.8
69.03647	0.7
71.01389	1.9
81.02202	7.4
82.02991	17.6
83.01415	0.9
85.02946	6.8
91.61108	0.8
116.07185	100.0
121.02927	1.3
123.04497	1.4
125.02465	1.3
135.04527	2.2
136.07687	6.9
137.02446	4.6
137.16611	0.9
138.09276	7.4
141.06670	1.6
151.03975	1.1
154.07512	2.0
156.14064	0.9
164.07185	11.0
166.02733	6.7
171.15170	1.1
178.07605	1.0
180.07950	1.7
181.05156	7.8
181.09940	1.5
197.12892	1.4
197.41370	0.9
208.06197	2.1
215.13995	5.0
237.16098	13.3
281.15131	34.7
325.14084	9.5
343.11218	2.1
343.15170	55.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1404
Annotation	Taxuside
Peak:m/z	Relative Intensity
57.03457	6.9
59.01387	1.3
62.72657	0.2
64.35384	0.2
69.57326	0.2
83.01389	0.5
93.03490	0.3
101.02478	0.5
106.00610	0.3
108.02200	1.1
109.02991	0.4
111.04517	0.4
120.71268	0.3
121.02931	2.5
122.03737	12.1
127.00345	0.5
135.04546	0.5
136.05304	5.2
137.02477	1.2
137.06084	3.6
138.03290	0.3
145.01416	0.5
146.03758	0.3
147.35318	0.3
153.05595	1.1
154.02763	1.5
163.07648	0.3
180.04301	6.3
181.08722	100.0
182.02290	0.5
182.09007	0.4
197.04550	1.9
241.21992	0.3
267.30325	0.3
343.10413	3.1
343.14160	1.5
352.34567	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.104
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03459	1.5
57.49541	0.9
59.01386	74.7
61.86263	1.1
67.21337	0.9
68.92303	1.2
71.01386	7.6
76.58255	1.0
85.02965	1.2
93.03463	8.9
101.45885	1.1
103.49040	1.0
108.02180	17.4
109.02963	35.8
113.02444	1.1
115.00394	2.7
119.05040	1.7
121.02956	92.3
122.03749	14.9
123.04505	5.9
135.04498	6.0
137.02440	2.6
137.06097	8.1
142.63423	1.3
145.06609	2.6
147.04602	2.6
154.02681	1.3
163.04004	1.4
209.08600	1.3
223.09966	1.2
223.92290	1.2
225.05563	1.4
226.06381	27.9
227.07141	18.0
253.08794	4.8
255.10292	100.0
272.70502	1.7
312.93799	1.1
343.08066	11.7
369.66748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1036
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
54.83366	0.7
57.03455	9.5
57.50713	0.6
59.01384	4.2
66.66505	0.6
71.01374	4.4
73.02939	0.6
75.00889	0.7
81.03441	0.6
83.01412	2.4
85.02959	2.7
87.00160	0.5
93.03468	0.7
101.02465	4.0
108.02211	1.0
109.02972	1.4
113.02485	0.7
121.02987	4.9
121.06624	0.9
122.03738	20.2
123.04539	1.2
125.83525	0.6
127.00407	0.8
135.04529	5.7
136.05307	95.9
137.06087	10.8
145.01439	1.1
151.04030	2.7
153.05560	1.1
154.02740	0.9
161.06123	0.9
163.04015	0.7
166.06334	3.4
179.07077	1.4
180.04300	100.0
181.05144	15.2
181.08719	57.4
191.07043	0.8
197.04591	3.8
251.57076	0.6
253.07121	0.7
255.10320	3.5
343.10391	50.9
343.13968	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	343.0827
Annotation	Araneol
Peak:m/z	Relative Intensity
54.83004	3.9
59.01381	37.5
69.77473	4.7
78.60787	4.5
81.00259	4.4
83.56907	4.1
92.10773	15.6
121.02930	7.2
135.04521	5.3
149.02307	5.4
167.91483	4.0
225.98506	5.2
232.72656	5.0
241.05124	6.1
256.03790	29.9
257.04636	55.4
271.06177	9.3
284.03403	10.4
285.04056	75.8
299.05722	26.4
300.06326	7.6
305.94772	5.1
313.03513	40.8
328.05960	68.2
334.18112	4.8
343.08237	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1037
Annotation	Teuhircoside
Peak:m/z	Relative Intensity
52.72728	0.4
56.15943	0.4
57.03471	0.8
59.01402	4.1
63.89164	0.5
65.00325	0.6
71.01404	0.7
73.02956	2.0
81.03455	6.3
83.01415	1.2
85.02964	0.6
87.00824	0.6
89.02478	0.6
92.10154	0.9
93.03513	0.5
95.05027	4.3
97.02968	5.5
99.08094	0.5
101.02470	0.6
107.01382	0.7
113.86247	0.5
122.03728	1.2
123.04539	0.9
123.46519	0.5
125.02450	7.0
135.04439	0.7
137.06081	49.5
139.04008	0.6
151.00427	0.9
151.03986	0.6
163.04002	0.7
172.19608	0.5
180.20682	0.5
181.05078	100.0
223.06047	0.7
244.45616	0.6
249.91492	0.5
307.14047	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	343.0465
Annotation	3,4,3'-Tri-O-methylellagic acid
Peak:m/z	Relative Intensity
54.83006	1.7
58.68439	1.3
59.01383	10.6
61.98626	1.3
63.06964	1.5
67.24616	1.3
97.06597	1.4
114.86872	1.5
115.18507	1.6
119.01369	3.5
123.04562	2.5
124.67971	1.6
135.04506	2.2
147.00937	1.7
167.05112	1.9
177.01807	1.9
183.04575	1.8
187.04022	2.1
199.03889	2.2
202.99869	28.2
211.04037	10.2
213.02075	2.7
215.03586	7.4
224.44850	1.5
227.03535	6.3
239.03535	19.7
240.25967	1.5
241.01491	2.1
243.03017	6.0
255.03062	11.7
260.47705	1.5
267.02780	2.7
283.02423	11.1
292.43442	1.8
311.02042	100.0
334.41367	1.5
343.04651	75.9
343.17734	2.0
343.21243	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	343.0674
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	20.9
61.98852	1.4
64.35467	0.9
66.02146	0.7
70.60922	0.7
71.01402	1.2
72.99310	21.5
72.99679	1.1
78.95896	1.2
81.03456	1.6
85.06610	1.3
87.00867	7.8
91.00391	4.2
93.03465	3.6
96.96027	4.4
99.00877	2.1
101.02469	1.2
109.02983	1.3
111.00899	1.5
111.02036	1.1
111.04549	1.1
112.98845	0.9
119.05044	3.7
120.05343	1.6
121.02923	1.5
123.04534	4.9
125.02435	5.3
134.03732	8.2
135.04498	1.6
136.01665	55.6
136.07687	3.3
137.02530	6.0
137.03403	0.9
137.08060	1.1
149.00935	4.0
149.06059	1.4
151.04028	100.0
152.91776	1.7
155.03523	1.2
169.01447	4.8
173.04581	5.4
173.40402	0.9
180.06621	1.7
181.05170	0.7
181.07068	3.2
211.06172	62.0
292.85910	0.9
343.06833	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	342.1045
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68786	0.7
53.60965	0.6
53.80618	0.8
59.01387	100.0
61.98835	19.0
65.46180	0.7
69.76748	1.0
71.01384	2.9
74.61796	0.7
93.03474	1.2
101.43015	0.8
163.03958	1.7
165.66736	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45743	0.6
55.39240	0.8
59.01386	100.0
61.91230	0.6
61.98838	26.6
71.01413	1.7
101.18937	0.8
205.51123	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.0374
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18730	0.1
55.89960	0.1
55.97445	0.1
59.01389	100.0
61.73343	0.1
85.34557	0.1
90.43279	0.1
108.97346	0.1
115.02519	0.6
116.92890	0.2
117.00446	0.6
124.05157	0.1
136.93968	0.2
157.03577	6.4
159.01501	6.2
178.95071	0.3
201.02576	75.1
202.02716	0.6
205.81407	0.1
343.03793	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	341.3065
Annotation	21-hydroxy-heneicosanoic acid
Peak:m/z	Relative Intensity
52.95640	1.3
57.30976	1.2
59.01399	3.6
73.50749	1.4
138.82175	1.7
166.77498	1.5
341.30667	100.0
357.11066	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	341.3068
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	3.3
66.88116	1.5
79.17118	1.6
149.98936	1.5
159.91229	1.9
213.49019	1.7
256.03909	1.8
295.30054	3.2
297.28058	16.2
341.26987	14.1
341.30670	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.3065
Annotation	1-O-Octadec-9-enyl glycerol
Peak:m/z	Relative Intensity
53.61694	0.8
54.82566	1.0
58.24927	0.8
64.34313	0.8
71.05029	39.0
72.85528	0.7
73.02944	2.0
73.96278	0.7
79.16007	0.9
83.05003	1.7
84.20119	0.8
112.07259	1.0
267.26950	6.2
281.28513	45.7
281.31464	1.9
323.29605	22.8
341.30655	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.109
Annotation	Trehalose
Peak:m/z	Relative Intensity
54.95283	1.8
55.75800	1.9
59.01384	100.0
63.66220	1.8
67.35592	2.3
71.01379	61.0
72.99294	8.7
73.02958	4.7
75.00861	33.2
83.01387	1.9
85.02963	10.9
85.52152	2.0
87.00877	4.6
88.50771	1.8
89.02441	61.8
93.37333	2.1
95.01434	3.2
101.02450	20.6
113.02446	17.5
115.00378	4.0
119.03491	13.4
120.81622	2.4
131.03493	9.6
133.01427	11.5
143.03554	3.2
148.60706	2.4
149.00897	3.2
149.04558	94.6
161.04601	3.7
178.69585	2.3
179.05597	18.8
207.44727	1.8
225.68211	2.0
232.35834	2.4
281.98007	2.1
301.25577	2.0
330.28870	2.0
335.13324	2.1
340.95090	1.9
341.10941	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	341.2698
Annotation	Eicosanedioic acid
Peak:m/z	Relative Intensity
50.25111	1.4
54.82835	1.5
55.46632	1.4
62.78331	1.5
89.56824	2.2
96.02288	2.1
98.56664	1.5
110.25042	2.0
128.57970	1.6
149.09738	2.6
182.96861	2.2
185.00748	2.5
201.10252	1.9
279.26956	97.8
297.28027	2.1
315.27908	1.9
323.25839	14.8
341.20221	6.8
341.26990	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38474	0.8
55.01896	9.5
57.03455	37.7
59.01413	1.9
67.01911	1.0
70.24725	0.8
70.30208	0.8
71.01396	5.4
72.99326	1.2
73.02969	2.0
75.00887	1.2
83.01385	9.3
84.02167	1.2
85.02947	100.0
87.66341	0.9
91.05545	3.7
99.00912	0.9
101.02444	3.9
111.00871	21.8
111.01543	1.2
129.01936	37.5
134.40172	1.1
135.04512	19.5
161.04591	1.1
205.03589	11.1
286.31705	0.9
341.08713	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0881
Annotation	1-Caffeoyl-beta-D-glucose
Peak:m/z	Relative Intensity
52.30292	0.2
53.17566	0.3
59.01386	8.2
71.01067	0.3
71.01373	3.0
82.32535	0.3
85.02951	0.6
89.02428	2.7
92.10653	0.4
98.48595	0.3
101.02460	0.7
105.03472	0.3
113.02430	0.5
116.69423	0.4
119.03495	0.4
132.02170	2.3
133.02960	36.5
135.04533	7.2
139.56613	0.3
149.06082	0.4
161.02460	100.0
162.02826	0.5
177.05611	0.5
179.02086	0.5
179.03551	10.4
203.03543	1.6
221.04593	0.9
240.02371	0.4
263.61212	0.4
263.63943	0.4
281.06659	0.7
285.25412	0.4
319.19214	0.4
341.08850	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	341.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82753	0.4
59.01390	10.2
71.01392	3.7
83.37773	0.6
89.02467	3.0
101.02464	1.0
107.05109	0.5
113.02470	0.7
117.37021	0.5
132.02176	1.9
133.02968	39.6
134.03751	2.3
135.04538	51.0
161.02473	100.0
162.02806	0.5
177.05621	1.0
179.02045	1.0
179.03520	12.7
203.03658	0.6
221.04547	0.8
246.57220	0.5
341.08875	8.8
353.02313	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01390	100.0
60.01740	8.1
61.98862	17.9
63.33780	4.3
66.11789	3.9
68.17549	3.9
71.01408	8.0
72.99337	4.0
73.02962	5.0
78.95950	25.0
79.05701	4.5
83.94501	4.4
85.02941	8.1
85.39206	4.1
88.00425	5.4
89.02467	5.6
96.96036	6.8
96.97007	7.8
117.05599	27.4
118.05931	9.9
125.02418	4.4
127.20256	4.6
137.03590	18.7
142.05109	56.5
192.37335	5.0
194.24419	4.9
196.67645	5.2
242.01532	5.6
304.10498	60.5
339.99088	5.1
340.07657	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	341.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	9.8
56.49813	1.0
57.03455	29.4
57.03715	1.6
59.01394	6.0
67.01894	1.4
68.37951	1.3
71.01382	9.7
72.99325	2.4
73.02967	7.2
78.95914	7.6
83.01366	12.1
84.02217	1.4
85.02946	100.0
87.00894	1.6
91.05541	2.5
101.02459	6.9
111.00866	23.5
117.01873	1.2
129.01939	38.1
135.04533	18.3
152.99675	5.2
159.34036	1.2
203.17845	1.2
205.03529	15.0
341.08640	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	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03460	1.2
59.01385	100.0
69.03459	2.7
69.52204	0.6
71.01388	8.3
71.05032	0.6
73.02949	10.0
78.95902	33.3
79.15177	0.7
83.01389	2.8
85.02965	4.6
87.00870	0.8
87.04472	0.6
89.02451	4.3
95.01405	0.9
96.96034	0.8
96.96951	7.6
97.62936	0.7
101.02444	9.2
103.00385	1.1
113.02444	10.0
117.05577	67.0
119.03489	3.5
120.42857	0.9
158.92514	5.9
159.06575	2.3
161.04567	3.4
189.07686	1.0
207.08731	1.2
241.01245	13.7
259.02127	0.8
279.11130	0.9
313.73608	0.7
318.23050	0.6
331.82529	0.6
338.98926	9.3
339.12921	3.7
341.57855	0.7
348.74100	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1664
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07267	0.4
55.01876	0.5
59.01384	100.0
64.37433	0.5
71.01379	6.6
73.02940	1.7
76.65958	0.4
83.01376	0.8
85.02936	3.6
87.00935	0.5
88.60864	0.4
89.02426	3.2
95.75104	0.4
99.00871	0.8
101.02425	6.3
102.74435	0.4
113.02450	2.8
119.03526	0.7
131.03598	0.5
158.53862	0.5
159.02888	0.7
161.04576	4.6
177.01920	6.7
262.81326	0.4
279.14511	16.5
339.07092	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.233
Annotation	Dimethisterone
Peak:m/z	Relative Intensity
64.44495	0.3
70.46608	0.3
79.96551	0.3
84.18063	0.3
85.70342	0.3
89.10247	0.4
92.10208	0.4
97.12724	0.4
116.69187	0.4
146.27861	0.4
158.40369	0.3
163.11298	100.0
181.71445	0.4
192.81400	0.4
209.56265	0.4
237.32602	0.4
283.41296	0.4
287.44611	0.4
339.23340	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	339.0936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	3.7
55.82039	0.8
57.03461	3.9
59.01384	28.4
64.04408	0.6
66.64367	0.7
68.99909	0.7
71.01382	39.0
72.99310	1.2
73.02940	7.0
73.61771	0.7
75.00874	0.7
78.95901	25.3
79.20461	0.7
83.01384	5.1
85.02955	13.2
87.00873	16.6
87.04526	3.3
89.02431	8.2
95.01393	1.7
96.96971	4.8
97.02972	0.7
99.00891	2.7
101.02444	17.5
112.98822	1.0
113.02458	6.0
115.00375	7.1
129.01938	1.8
133.01425	11.1
133.05067	100.0
140.69220	0.8
142.99869	1.7
143.03516	0.9
147.03006	4.5
147.06657	1.6
158.92540	5.5
159.02994	0.7
161.04585	5.3
177.07700	4.8
196.15211	0.7
232.75224	0.8
241.01231	13.1
250.77780	0.8
260.74707	0.8
260.92557	0.8
307.06375	0.9
338.98999	7.2
339.13007	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	339.1298
Annotation	Unknow
Peak:m/z	Relative Intensity
53.43474	0.6
55.01882	4.5
57.03456	3.4
59.01384	34.8
61.76361	0.7
61.87149	0.7
71.01379	37.1
72.99297	1.1
73.02934	9.1
78.95899	48.2
83.01395	5.4
85.02949	15.1
87.00880	14.3
87.04522	1.8
89.02451	10.1
93.20075	0.9
96.96959	11.2
99.00864	1.2
101.02441	22.6
103.00327	1.1
112.98801	1.0
113.02489	7.0
115.00374	8.1
119.03505	1.2
120.93515	0.9
129.01927	3.8
133.01463	11.6
133.05070	100.0
142.99895	1.3
146.51697	0.8
147.03006	3.7
147.06593	1.9
148.39040	1.0
158.92574	8.4
159.02980	1.0
161.04532	4.9
172.09227	0.9
177.07707	6.1
218.63881	0.9
237.09775	1.0
241.01231	17.9
338.98828	8.1
339.12936	10.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85728	0.5
54.83162	0.5
57.00603	0.5
57.03457	16.9
57.03716	1.0
59.01382	8.0
69.03470	1.1
71.01379	19.1
71.01767	0.7
72.99302	5.0
73.02954	3.6
75.00880	0.9
78.71755	0.5
78.95911	8.4
79.47872	0.5
85.02950	24.2
85.03448	1.0
87.00876	28.1
87.04546	2.6
89.02441	4.3
96.96981	2.3
101.02411	4.3
103.04031	3.2
112.98784	1.2
113.02427	0.7
115.00380	25.0
115.04037	3.1
129.01941	10.2
133.00571	0.8
133.01433	36.2
133.05069	100.0
139.41597	0.5
140.39417	0.6
142.99883	1.0
147.03006	68.2
158.92476	0.9
161.04465	0.6
173.00967	1.0
241.01353	2.0
286.90820	0.6
329.15717	0.7
338.98859	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0725
Annotation	4-O- beta -D-glucosyl-daphnetin
Peak:m/z	Relative Intensity
50.01504	0.3
50.43509	0.3
51.75218	0.4
57.19808	0.3
57.76997	0.3
59.01381	2.0
65.00322	0.8
65.03966	0.8
66.11465	0.3
67.01894	0.7
69.03475	0.4
69.77036	0.3
69.99120	0.3
74.30476	0.3
74.39674	0.3
77.12825	0.3
90.00994	0.3
91.01894	65.1
108.02169	1.5
109.02961	14.5
114.39530	0.3
119.16541	0.3
121.02964	1.7
123.04576	1.7
133.02968	1.8
135.00888	100.0
136.01634	0.7
137.02475	2.7
149.02426	1.4
153.01949	42.9
161.02464	1.9
177.01901	1.4
189.01918	0.8
194.91576	0.4
240.28021	0.4
279.05014	0.4
297.06287	0.5
323.59558	0.4
339.07266	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	339.0724
Annotation	4-O-beta-D-glucosyl-esculetin
Peak:m/z	Relative Intensity
55.01898	0.8
59.01395	100.0
60.65681	0.4
71.01398	5.5
73.02966	1.8
78.95914	0.8
81.03475	0.7
83.01397	1.7
85.02963	3.8
89.02460	2.3
89.03992	1.7
91.86199	0.3
95.01428	0.4
99.00906	1.6
101.02438	6.0
105.03437	2.8
113.02451	2.3
119.03475	1.5
131.03514	1.4
133.02965	6.5
135.04527	0.8
143.03433	0.4
149.02477	0.5
159.03053	0.8
161.02516	0.5
161.04578	5.6
175.04013	0.4
175.94385	0.7
177.01949	54.9
179.45021	0.3
193.03581	0.7
197.38820	0.3
241.01201	0.6
272.79724	0.3
276.67816	0.3
279.14511	16.4
339.07495	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0723
Annotation	AESCULIN
Peak:m/z	Relative Intensity
58.80388	0.3
59.01387	6.9
63.02400	0.5
65.00327	0.5
67.01894	0.5
71.01404	0.7
72.99352	0.6
85.02937	4.8
86.83447	0.5
89.03986	3.9
91.01907	2.0
95.05020	0.6
97.02948	3.6
101.02464	1.9
107.01382	0.8
109.02963	6.8
115.04008	5.3
115.92059	0.6
121.02970	0.9
129.01895	4.1
131.03496	2.2
133.02965	9.7
135.00887	0.8
135.04529	3.6
141.01947	5.6
148.01614	0.6
149.02425	1.7
159.03000	13.7
161.02574	0.5
163.03987	0.5
177.01936	100.0
177.03885	8.5
179.03519	1.1
189.01877	0.5
196.54916	0.5
219.03165	0.6
339.07254	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79569	0.6
51.09940	0.6
55.08080	0.6
57.03457	100.0
57.29902	0.6
59.01389	1.7
65.07814	0.6
66.36110	0.6
72.99361	1.0
73.02961	4.8
76.57996	0.8
83.01389	12.3
92.66017	0.7
101.02459	10.9
103.00382	4.3
103.92576	0.7
112.58417	0.8
115.00398	0.9
117.03456	2.6
125.78459	0.7
127.00393	13.8
133.01440	0.8
134.03757	42.3
137.02521	1.3
145.01451	10.9
149.06126	5.6
163.02516	22.3
178.02757	8.0
190.05843	0.7
193.05092	32.2
204.73717	0.7
255.75435	0.8
325.59348	0.9
328.09167	0.7
339.07254	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	339.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
53.83860	0.4
57.03453	2.7
59.01375	2.9
59.66108	0.3
61.01026	2.8
71.01381	24.5
71.01775	0.8
72.99306	7.3
73.02957	2.4
74.39882	0.4
75.00873	0.6
75.96162	0.4
78.95908	2.3
83.01374	0.6
85.02953	12.1
87.00872	6.8
87.67786	0.4
89.02429	3.1
96.97004	0.7
99.00867	0.6
99.02557	0.6
101.00578	0.4
101.02476	1.8
103.00450	0.4
103.04017	0.8
104.32413	0.4
105.01884	0.5
115.00374	63.8
117.01871	0.4
127.00409	0.9
129.00970	0.4
129.01924	4.0
133.01431	100.0
133.05040	4.1
138.35928	0.4
143.01584	0.8
145.01419	0.9
147.03009	22.7
165.04041	1.8
173.02574	1.8
191.03719	4.5
195.13571	0.4
241.01254	0.6
339.07422	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0572
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83204	0.8
57.03452	11.5
59.01384	14.2
71.01379	28.7
72.99320	6.4
73.02958	1.4
75.95665	0.9
76.31575	0.9
76.58132	0.9
78.95902	22.2
78.99983	0.9
83.95918	0.9
85.02953	29.7
87.00871	42.6
88.73299	0.9
89.02447	8.6
92.10748	1.3
96.96967	5.3
99.00890	0.9
101.02445	6.6
103.04026	2.4
112.98849	1.0
113.02477	1.3
115.00372	59.2
115.04004	1.4
129.01929	12.6
133.01433	81.8
133.05072	50.2
133.05861	1.2
141.64514	0.9
147.03011	100.0
147.06689	1.7
158.92590	1.5
161.74512	1.1
183.21207	1.0
207.75951	1.0
241.01169	9.0
275.31335	0.9
285.61929	1.0
321.04745	1.3
338.98965	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	339.0725
Annotation	Esculin sesquihydrate 
Peak:m/z	Relative Intensity
57.03456	0.7
57.39469	0.4
59.01390	4.7
66.29461	0.4
72.99318	0.7
73.25129	0.4
82.14371	0.4
83.01411	2.6
85.02956	1.0
91.18076	0.4
93.03490	0.7
93.72667	0.4
93.92735	0.4
97.02959	1.0
99.00899	0.8
101.02463	2.3
105.03472	0.9
106.06841	0.5
108.02196	2.0
110.33447	0.4
117.03469	0.6
120.02194	0.7
121.02960	2.1
123.04548	1.0
131.03496	0.6
133.02965	3.7
134.03738	7.8
141.01982	0.9
145.01468	2.5
145.02997	0.6
148.01630	1.8
149.02463	3.0
159.03040	3.2
172.20174	0.5
176.01161	15.0
176.02695	0.6
177.01952	100.0
177.03996	3.9
178.02553	0.8
193.05063	4.7
249.67480	0.5
251.42017	0.4
291.44296	0.5
339.07272	16.6
342.41333	0.5
359.39725	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.0817
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20026	1.4
55.01894	2.7
55.78186	1.6
56.49733	1.6
57.03455	28.9
58.02998	1.9
59.01384	35.2
60.01768	2.1
61.01044	8.1
63.31155	1.7
68.99573	3.9
69.03479	2.6
71.01392	27.5
72.01771	2.0
72.52308	1.9
72.99298	15.8
73.02942	21.4
74.02528	2.2
75.00890	3.9
78.95889	31.5
80.96532	2.1
83.01418	8.2
84.01716	1.9
84.04604	2.1
85.02958	73.3
85.03455	2.8
86.03298	7.5
87.00877	33.1
87.01354	2.1
89.02470	8.3
94.03040	2.7
96.96982	3.4
97.02969	2.1
99.00842	15.3
100.01225	4.0
101.02444	38.9
102.02779	18.6
103.00434	2.8
103.03996	4.1
111.00881	8.2
112.01242	3.0
112.98732	2.3
113.02460	8.2
113.99598	23.2
115.00437	22.9
115.04054	2.5
117.01984	11.3
119.03553	2.5
119.05012	14.5
127.00391	13.0
127.02046	2.1
128.00743	8.5
128.03549	2.5
129.01929	27.6
130.02299	2.8
133.01447	20.8
133.05083	88.9
145.01443	23.7
145.03162	4.6
146.01797	13.4
147.03012	100.0
157.01421	2.3
158.92575	3.6
163.02527	12.6
163.03886	3.2
164.02850	11.5
164.89589	7.7
174.01733	8.4
175.02028	15.0
189.05832	2.0
190.02420	3.5
190.06084	4.4
190.18269	2.1
192.04242	2.3
204.08794	9.0
222.48679	2.2
235.06105	4.6
241.01256	13.4
278.05933	17.8
338.08337	98.5
338.99030	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	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.90813	0.4
54.29741	0.5
55.01892	1.0
59.01384	100.0
61.31374	0.4
66.19287	0.4
71.01382	9.1
73.02939	0.8
77.32257	0.5
83.01400	0.6
85.02965	2.5
87.00882	0.8
89.02440	8.7
93.03467	2.6
95.01409	0.5
101.02445	4.8
113.02455	3.2
119.03501	4.0
122.03732	2.8
123.04484	1.9
133.02950	2.0
136.01598	0.5
137.02452	6.8
161.04520	0.9
163.02495	1.8
166.50217	0.5
179.03482	3.0
179.05592	2.2
213.40096	0.5
217.01164	2.1
277.03201	2.5
277.12839	2.7
299.07785	12.7
300.08096	0.6
337.14633	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
62.80964	0.4
66.54564	0.4
67.20580	0.4
67.56925	0.4
71.01383	7.6
79.16191	0.4
79.65916	0.4
83.01385	0.5
85.02977	1.9
87.00864	0.5
89.02451	8.1
93.03416	0.7
95.01410	0.6
101.02464	3.4
113.02461	2.5
119.03501	2.6
133.02945	0.6
137.02419	3.4
143.03523	0.5
147.04582	0.5
161.04524	0.9
179.03520	1.7
179.05612	2.1
239.00484	0.5
239.05637	0.5
277.12927	1.0
299.07751	5.6
337.15134	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1512
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20014	0.3
55.01907	0.4
56.23851	0.3
57.03455	2.1
59.01388	94.1
59.43564	0.3
67.01900	5.3
69.03452	1.8
71.01382	1.4
72.84059	0.4
72.99306	5.0
83.01385	4.6
85.02444	0.7
85.02959	21.2
85.65457	0.3
93.03458	12.7
93.04015	0.7
94.03820	0.4
99.00877	1.9
101.02441	2.7
111.00893	100.0
112.01225	0.9
113.02436	0.5
119.05023	1.8
129.01968	4.2
131.03508	0.8
131.07098	0.5
135.04529	5.3
136.04924	0.4
137.01434	0.7
137.02460	19.1
137.05191	0.4
154.99878	11.3
157.01427	2.2
172.99419	0.6
173.00935	16.6
175.02493	4.0
179.03519	2.1
180.03873	0.4
181.04016	0.6
196.99062	0.4
215.09801	0.4
231.06651	0.5
328.22528	0.4
337.08517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18561	0.8
52.26216	0.6
53.43261	0.7
54.19876	0.6
54.82742	0.6
57.03461	0.7
59.01392	100.0
60.42481	0.6
61.85534	0.6
65.63154	0.5
71.01393	8.9
73.02958	2.7
78.95908	24.8
83.01416	0.8
85.02966	4.9
87.00883	3.4
87.04507	0.9
89.02444	8.7
96.96970	2.5
99.00854	1.6
100.22746	0.7
100.61250	0.7
101.02442	7.2
111.00882	1.6
111.02021	9.2
112.98802	0.9
113.02454	3.1
115.04012	20.3
119.03498	2.9
127.00452	0.9
131.03513	0.8
145.01439	1.5
161.04549	3.4
163.02473	3.3
173.01070	0.7
179.05667	1.7
187.07672	0.9
225.01695	3.5
260.07159	0.7
266.78284	0.8
277.09244	11.8
337.04843	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	337.0779
Annotation	L-Ascorbic acid-2-glucoside
Peak:m/z	Relative Intensity
53.66252	0.9
55.01901	1.1
57.03467	8.6
57.03720	1.0
59.01404	2.0
61.01036	2.8
65.44646	1.0
68.99832	4.6
69.63035	1.0
71.01409	4.8
73.02985	4.5
83.01395	10.7
85.02960	11.4
87.00890	4.6
99.00866	7.9
101.02451	37.2
106.99302	1.0
107.52321	0.9
112.71648	1.1
113.02470	6.2
113.99588	26.3
115.00361	10.9
127.00381	27.4
129.01968	2.1
139.00504	1.2
142.01872	1.2
145.01437	55.0
145.02602	1.7
157.01466	4.5
173.02686	2.2
174.01704	26.1
175.02594	1.9
189.02155	2.7
191.03708	6.7
277.05682	23.7
337.08047	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	337.0783
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82869	0.4
54.84253	0.4
55.01897	0.8
57.03461	0.5
59.01393	3.0
63.11201	0.4
68.99826	3.4
69.03464	0.7
71.01398	3.2
73.02958	0.9
75.00907	0.5
76.60014	0.4
78.95906	5.2
83.01421	1.2
85.02960	6.7
87.00886	3.9
92.66048	0.6
95.01405	1.0
96.96950	6.7
98.25207	0.5
99.00888	5.6
101.02468	1.1
111.00888	1.1
113.02448	7.1
113.99590	22.2
115.00397	7.6
124.02917	0.5
127.00393	4.4
129.01944	3.2
129.70641	0.5
139.00406	0.7
148.50797	0.5
157.01453	4.6
169.01378	0.9
174.00209	0.8
174.01711	20.8
175.02438	1.9
178.96141	0.6
200.29643	0.6
208.93849	0.7
216.50012	0.5
234.86916	0.8
259.59137	0.6
277.02634	0.7
277.05655	21.9
294.87039	0.7
294.93942	0.7
296.40051	0.6
336.88144	1.2
337.07846	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	337.1144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01914	0.7
57.03458	1.6
59.01384	100.0
66.25893	0.6
71.01378	28.7
72.99326	1.4
73.02956	3.7
78.95892	6.3
83.01412	1.5
85.02951	8.7
87.00866	4.5
89.02441	29.9
90.03469	0.7
95.01412	3.7
96.96011	2.9
97.02940	0.9
99.00859	1.5
99.04461	0.6
101.02435	13.3
101.02998	0.8
102.54895	0.7
103.00370	0.6
107.40508	0.6
111.00919	1.3
111.01984	0.9
111.04591	0.6
113.02452	10.8
113.06052	0.7
115.04026	1.3
119.03500	11.0
125.02449	0.9
127.00424	1.3
128.03328	0.7
131.03535	2.8
133.05072	0.7
143.03546	1.1
157.05144	0.7
161.04529	4.7
163.02470	4.8
179.05583	7.6
185.31609	0.7
203.56178	0.7
277.09210	1.5
337.05099	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	337.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
54.72260	1.8
57.03464	2.0
59.01385	100.0
60.09087	1.6
67.26791	1.8
71.01389	9.4
71.56014	2.0
73.02953	3.6
85.02966	10.8
86.82780	1.8
87.04516	2.3
89.02448	2.9
92.10738	4.0
96.96011	2.4
99.00925	2.8
101.02451	11.6
103.00403	3.2
111.00918	4.6
113.02448	3.3
115.04072	2.0
118.98293	1.9
124.96232	2.4
127.00426	2.7
135.39548	2.1
139.03964	3.3
143.55711	2.0
145.01506	2.4
159.06636	9.9
161.04588	2.2
163.02477	15.6
169.06587	7.3
169.64851	2.3
171.04576	13.8
172.05313	3.3
185.06088	2.7
186.06470	2.1
187.07632	18.9
203.03607	3.4
277.13049	7.6
319.04718	3.4
320.84528	2.5
337.05667	4.4
337.14975	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	337.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01391	0.7
67.01895	6.9
72.99306	4.8
73.02964	1.2
73.57690	0.5
81.79750	0.5
83.01405	3.4
85.02957	18.5
92.10735	0.7
99.00883	0.6
101.02465	2.7
111.00886	100.0
117.01934	1.3
119.05041	0.8
129.01982	4.9
131.19089	0.6
146.16315	0.6
154.99875	12.8
173.00914	26.3
175.02432	0.6
191.01967	5.0
254.15967	0.6
329.19989	0.6
340.42529	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.059
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33903	1.6
54.49326	1.4
55.01891	3.0
57.03459	8.0
59.01384	4.1
61.01022	21.4
68.99846	2.0
71.01392	10.1
73.02956	8.8
83.01393	28.9
85.02959	32.2
87.00873	16.0
89.87473	1.8
93.61134	1.7
99.00861	20.5
99.02617	8.9
101.02459	18.9
103.00472	1.8
103.49051	1.9
105.01971	4.5
113.00520	4.3
113.02449	8.8
113.99584	32.9
115.00383	11.8
115.02068	7.2
117.03625	2.6
127.00381	66.7
127.02100	4.5
129.01942	3.5
129.03629	3.5
131.01582	9.2
143.01579	2.2
145.01439	47.2
157.01395	3.9
163.02489	4.5
165.04036	11.6
173.02632	12.9
174.01711	24.8
175.02470	2.1
189.02161	21.6
191.03748	36.4
236.86148	1.9
247.06325	4.6
277.05743	24.7
337.05966	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	337.0571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21098	0.4
59.01384	2.4
59.47582	0.4
67.01897	5.0
69.03475	0.4
72.99315	4.2
83.01390	5.2
85.02954	19.6
87.77319	0.4
88.06070	0.4
99.00883	1.8
101.02452	3.0
102.14591	0.4
111.00891	100.0
119.05054	0.9
124.71160	0.4
126.63841	0.4
129.01933	2.9
131.03520	0.8
133.03021	0.5
135.04529	2.0
148.51349	0.4
154.93953	0.4
154.99875	11.4
157.01402	0.6
173.00926	17.0
175.02475	3.8
205.81114	0.4
211.96870	0.4
299.79462	0.5
353.31384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32329	2.5
51.62054	2.2
52.40600	2.4
55.01878	3.2
57.03445	2.8
57.97795	2.4
59.01383	100.0
60.01736	3.2
61.98842	14.4
65.96703	2.6
71.01376	47.8
73.02964	3.1
74.17054	3.2
76.92947	2.7
77.43941	3.0
83.01387	5.9
85.02962	14.2
87.00871	4.2
89.02438	35.6
95.01391	3.3
99.00900	6.3
101.02444	31.0
111.00896	7.5
113.00523	4.3
113.02488	18.0
114.39247	3.5
115.73803	3.0
119.03497	14.4
127.00375	32.9
127.02098	6.2
137.06039	5.1
141.06172	3.7
155.07115	6.7
161.04465	3.6
173.08197	5.4
185.00945	4.6
189.02151	17.4
217.32378	3.1
259.27609	3.1
286.65271	3.2
335.04471	35.8
335.13574	70.6
339.38675	3.6
353.33264	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	335.1353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27839	0.6
57.35542	0.6
57.75755	0.6
58.93353	0.6
59.01386	100.0
60.84606	0.6
71.01389	9.8
71.89646	0.7
73.00476	0.6
73.40319	0.6
85.02964	3.0
87.00847	0.8
89.02450	6.4
92.10750	1.9
94.97644	0.7
95.01391	0.7
95.65400	0.7
96.96017	1.8
101.02442	4.2
109.06580	0.9
113.02467	7.0
113.06092	27.5
119.03487	3.4
121.03003	1.6
123.08173	1.0
137.06099	8.5
161.04590	2.9
167.07146	4.6
175.99258	0.8
179.05658	1.6
210.55055	0.9
275.11356	1.3
319.83612	0.8
335.20773	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	336.0859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.51514	4.6
59.01390	11.1
75.46555	5.5
89.21619	5.3
96.96018	7.1
135.04546	26.9
138.05617	100.0
274.20844	7.3
300.10944	37.3
343.80533	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	337.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70073	0.3
59.01390	7.5
59.35852	0.3
66.86901	0.3
69.03436	0.6
71.01383	0.6
79.95748	1.5
81.14893	0.3
83.01399	0.4
85.02966	3.0
87.00894	0.9
96.96009	100.0
97.93163	0.4
99.00892	0.3
101.02472	0.7
105.03459	0.7
107.05043	2.4
113.02488	0.5
113.92596	0.7
114.93446	0.5
116.92860	0.8
121.02934	0.5
131.03470	0.4
133.02972	4.2
133.06615	1.4
134.03804	0.5
135.04509	1.7
149.06105	3.1
156.17950	0.3
157.01431	0.5
158.98596	0.4
159.03008	0.5
163.02412	0.4
175.02489	2.7
177.01871	0.6
177.05603	3.6
179.03522	6.2
191.00298	3.1
195.06773	0.5
204.86691	0.4
233.01350	3.3
239.05640	12.5
277.00308	5.4
277.13000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.043
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	4.1
57.03469	4.4
57.24845	0.7
59.01405	0.8
61.01036	4.1
71.01379	5.9
73.02936	6.4
78.95913	0.8
79.17807	0.8
79.95004	0.8
83.01392	25.5
83.01879	1.0
87.00907	1.9
96.96990	1.5
99.00875	13.8
99.02588	4.4
101.02443	13.1
103.00395	5.1
111.00916	5.1
112.98851	1.0
115.00381	4.5
115.02114	1.6
117.03667	1.5
119.03474	1.1
123.12000	0.8
125.73893	0.8
127.00379	95.1
127.02015	17.5
128.00731	1.0
133.01450	1.2
145.01430	6.1
145.03127	6.3
163.02493	10.4
171.01109	5.0
189.02142	36.8
189.05714	6.4
201.05736	1.2
219.06934	3.9
219.33955	0.9
245.04823	3.3
272.41083	1.0
303.01816	1.1
303.05209	1.1
329.46933	0.9
335.04401	100.0
335.08096	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	335.0431
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	5.0
57.03466	4.1
61.01030	2.1
62.03353	0.9
64.34994	0.9
71.01392	1.2
73.02972	5.7
78.95925	4.7
83.01396	24.4
83.01798	1.2
87.00854	1.0
92.10111	1.2
96.96043	3.7
96.96965	6.3
99.00878	16.3
99.02599	2.2
101.02476	13.9
103.00397	4.3
111.00907	4.6
111.15252	1.1
115.00385	4.3
115.02132	1.8
117.03704	1.5
119.03493	1.2
127.00385	100.0
127.02096	11.9
128.00778	1.2
133.70374	1.0
145.01451	8.7
145.03189	5.0
159.01045	1.6
159.54973	1.0
160.89449	1.0
163.02528	13.9
171.01096	6.3
171.04684	1.1
189.02144	42.0
189.05783	5.8
196.09123	1.2
245.04799	4.4
245.11055	1.2
335.04367	93.9
335.08032	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	335.0777
Annotation	5-O-Caffeoylshikimic acid
Peak:m/z	Relative Intensity
59.01390	3.0
61.98844	0.6
71.05032	0.9
73.02951	3.2
81.03431	0.6
83.05033	1.9
83.68762	0.6
85.02957	0.6
87.04490	0.7
93.03454	65.2
101.06078	0.7
107.05038	1.0
111.04534	2.8
114.39307	0.5
117.03435	0.7
133.02950	9.0
134.03745	6.2
135.04527	90.2
136.04938	0.6
137.02446	100.0
151.03981	2.0
161.02451	18.3
173.04411	0.7
179.03513	50.3
187.13287	0.9
194.64934	0.5
285.58615	0.5
298.36661	0.6
328.48114	0.6
330.21622	0.6
335.03732	0.6
335.07736	14.9
335.20746	18.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1197
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17175	0.9
53.62766	1.4
55.01893	1.8
57.03450	1.5
58.00602	2.1
59.01386	100.0
71.01383	56.3
72.99317	2.0
73.02941	1.8
76.57892	1.2
83.01405	2.0
85.02961	16.4
87.00882	4.8
89.02441	46.1
95.01378	2.0
97.06617	2.3
101.02454	28.2
109.06594	2.5
112.98561	1.8
113.02460	13.5
115.92028	1.4
116.92895	4.6
119.03501	18.9
125.06081	2.6
126.42751	1.1
127.07652	5.2
132.81015	1.2
135.04529	12.1
137.06064	4.9
153.05600	21.3
179.05643	2.0
199.66029	1.2
333.12030	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	333.1194
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.0
57.03460	3.0
58.00612	1.6
59.01388	100.0
71.01385	46.7
72.99326	3.0
73.02941	2.1
74.85120	1.1
81.85091	1.0
83.01389	2.3
84.69165	1.1
85.02938	12.8
87.00889	5.3
89.02443	41.5
90.56248	1.1
95.01374	2.8
96.96027	1.2
97.06596	2.6
100.76108	1.0
101.02435	21.0
107.01169	1.2
109.06600	4.9
111.74639	1.2
112.98556	2.6
113.02452	19.8
115.02111	1.5
116.92822	1.5
119.03504	15.6
119.84801	1.3
125.06084	2.4
127.07640	6.3
135.04486	8.2
137.06062	2.5
139.03957	1.5
153.05592	16.4
163.02440	1.4
175.04156	1.8
179.05612	1.3
315.11002	1.3
333.12518	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	334.0939
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05198	0.5
53.57720	0.6
60.17222	0.6
61.98832	100.0
70.50423	0.6
92.10859	1.5
283.04562	0.7
312.04498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2239
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13498	0.4
57.72586	0.4
61.98834	100.0
87.95876	0.5
90.18689	0.4
114.73498	0.5
124.61693	0.4
138.85550	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1097
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51385	7.7
59.01405	14.7
61.52955	6.5
62.30262	6.2
70.62965	7.0
80.43475	7.0
92.05083	7.8
94.27390	8.4
98.46638	7.8
104.05096	9.7
112.54465	10.1
112.55226	7.6
122.06117	15.1
123.77674	8.1
135.04561	11.7
138.05626	34.3
140.07167	10.0
147.04628	8.7
184.11252	14.0
211.08847	9.3
216.10347	10.8
217.07494	39.7
231.09177	8.9
241.09883	18.9
246.11395	56.7
253.09967	12.6
271.10989	100.0
289.11978	33.1
333.10925	61.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1096
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10298	0.6
57.03460	0.9
59.01390	14.2
65.05058	0.7
65.63308	0.6
71.01382	1.5
73.02925	0.7
77.86234	0.7
78.03518	0.9
80.01289	0.7
92.05068	3.8
94.06615	7.3
94.15587	0.8
96.04733	1.0
104.05081	5.1
105.03476	4.2
106.03036	1.1
106.06636	17.4
108.04597	0.8
120.04565	8.3
121.05379	3.1
122.02460	0.9
122.06120	22.4
123.03296	3.9
123.04503	1.0
124.07765	0.7
125.02477	1.3
131.03798	0.8
132.04562	12.7
136.51369	0.7
138.05617	34.8
148.04076	1.1
150.03346	0.7
150.05608	3.4
151.04031	3.8
187.65872	0.8
188.07278	0.9
189.07986	1.1
215.11812	0.9
217.07430	1.8
226.07547	1.0
241.09845	3.5
243.11421	4.0
273.07663	1.0
273.20901	3.1
289.11984	100.0
333.10846	7.8
333.19403	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	333.0829
Annotation	Unknow
Peak:m/z	Relative Intensity
55.45640	0.9
57.38029	0.9
59.01385	91.5
61.98836	4.0
63.99779	0.9
67.01896	15.4
69.03462	1.2
71.01385	6.0
72.99314	4.4
74.02486	4.4
83.01387	1.2
84.16199	0.9
85.02972	2.5
87.00888	4.4
87.66180	1.1
89.02467	1.7
92.10101	2.3
96.96040	2.0
101.02406	1.4
111.00882	100.0
112.98573	11.0
113.02414	2.4
115.92113	1.0
116.92902	1.1
121.13089	1.1
124.01682	1.8
125.02469	12.2
126.02829	1.9
127.02081	6.9
127.02927	2.2
134.03711	3.6
135.04497	7.8
146.62672	1.0
149.99626	5.2
150.99988	1.1
152.00092	1.1
153.01939	4.5
155.02385	1.0
161.02454	1.7
168.00648	4.5
169.00984	1.6
170.01126	3.8
170.99059	4.4
179.03545	2.0
201.01666	1.2
255.70476	1.1
301.03662	2.3
333.07141	21.7
333.11172	1.8
349.46341	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0981
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03466	19.6
59.01391	6.2
65.17494	2.6
69.03452	3.9
75.22308	2.5
75.36433	2.3
85.02968	18.4
95.05015	2.9
97.06620	3.1
101.02437	11.3
102.26093	3.1
109.02955	4.4
111.00940	3.9
112.71489	3.2
119.05051	4.6
127.87254	2.9
129.01961	3.1
135.04572	5.3
137.02490	5.7
145.89952	2.6
146.03773	6.7
147.04530	55.8
148.05292	14.0
149.06082	6.4
159.04514	34.6
160.05379	5.5
161.06099	15.8
161.29971	2.7
163.07655	3.8
172.05304	57.1
173.06076	100.0
174.03271	5.3
174.06844	5.2
175.04025	4.3
175.07626	4.7
176.04755	11.5
185.06129	5.5
186.06825	12.6
187.04066	13.1
187.07666	52.2
188.08324	4.3
189.05595	33.7
189.09256	10.4
196.05368	3.3
197.06114	40.8
198.06903	5.8
200.04810	10.1
201.05592	42.7
201.09251	72.2
203.07158	3.8
204.07948	53.8
205.03564	4.9
211.07607	3.7
215.07156	46.5
216.07962	35.3
223.04623	5.9
225.09271	12.5
227.10803	74.5
229.08727	10.5
245.11833	59.5
271.09811	11.2
289.10892	48.5
333.03885	3.0
333.09924	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	332.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57153	0.6
52.06675	0.7
59.01410	0.7
69.00065	0.6
69.42445	0.7
71.01382	3.0
84.19398	0.7
85.03830	0.8
88.04034	14.7
100.85380	0.7
110.00111	0.9
111.00925	1.6
115.00370	3.2
122.00073	0.8
123.00880	1.4
132.03029	16.9
135.04544	1.0
139.00385	26.1
139.01414	1.4
140.01167	78.6
140.31659	0.7
151.99878	5.6
153.00674	7.9
154.01239	5.5
156.32047	0.8
169.00163	19.0
170.00957	100.0
188.87354	0.8
199.49205	0.8
250.07191	8.3
332.06281	57.2
335.95645	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.0779
Annotation	Unknow
Peak:m/z	Relative Intensity
54.18043	0.9
61.98835	100.0
70.23212	0.9
75.63303	0.9
92.33626	0.8
95.90557	0.9
105.11168	1.0
131.44539	1.0
136.91861	1.0
151.04755	1.1
157.86343	1.2
331.24829	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	332.078
Annotation	Unknow
Peak:m/z	Relative Intensity
55.81976	0.8
61.98834	100.0
100.49419	1.0
107.51395	1.1
119.32076	0.8
121.12579	1.0
179.51833	0.8
266.16946	0.9
321.66098	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0598
Annotation	sn-Glycero-3-phospho-1-inositol
Peak:m/z	Relative Intensity
50.78266	0.2
54.07838	0.3
63.73394	0.3
78.95901	100.0
96.57090	0.3
96.96959	19.2
108.99038	0.3
132.89464	0.4
150.98015	1.3
152.99600	65.0
171.00661	8.6
223.00211	0.7
241.01216	33.7
259.02231	2.3
261.64841	0.3
305.98105	0.4
333.05984	64.7
334.06076	0.4
336.08899	0.4
349.09222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1039
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
63.60175	0.4
71.01401	0.5
79.71796	0.3
82.00613	0.6
85.02981	0.5
98.42698	0.3
110.00121	6.5
113.02510	0.6
117.91356	0.3
120.59074	0.3
124.01652	0.8
125.02458	7.6
126.85324	0.3
137.99608	8.6
139.00371	1.6
149.99614	0.7
151.00340	0.3
152.01146	2.4
153.01955	100.0
154.02792	2.9
155.03505	0.7
157.60132	0.3
166.02724	0.4
167.03496	5.6
168.00677	1.6
168.04303	31.7
169.01346	0.4
169.05069	4.2
191.03522	0.6
192.25485	0.4
291.02420	0.4
331.06711	2.0
331.10440	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	331.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82283	0.3
79.22237	0.4
82.00602	0.5
85.02965	0.6
96.96044	0.5
101.02430	0.4
110.00108	7.0
113.02451	0.7
123.00890	0.7
124.01662	2.0
125.02447	11.8
137.99586	9.4
139.00374	1.5
140.01190	0.5
147.83113	0.4
149.99590	2.2
151.00415	0.5
152.01155	2.6
153.01949	100.0
154.02678	2.1
155.03543	0.6
167.03496	6.3
168.00629	4.0
168.04288	30.6
169.01434	0.4
169.05060	4.0
170.38431	0.3
173.06425	0.4
181.31987	0.3
209.04622	0.5
232.20767	0.3
313.05615	0.5
331.06741	4.5
331.10468	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	331.1668
Annotation	Isoxaben
Peak:m/z	Relative Intensity
51.21457	3.0
57.03457	14.2
59.01385	7.4
72.00921	7.4
78.62689	3.2
85.06598	3.8
95.28336	3.3
132.04581	4.4
138.41949	3.1
144.04530	25.9
157.05325	19.1
158.06114	14.6
163.00343	4.5
173.07112	12.8
185.07193	8.2
192.03871	4.0
197.43738	4.3
219.07748	19.1
228.13776	3.6
255.15149	4.9
280.80756	4.2
287.09262	4.5
331.16656	100.0
331.24933	79.1
346.07086	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	331.0828
Annotation	(2R,3S)-3,5,3'-Trihydroxy-7,4'-dimethoxyflavanone
Peak:m/z	Relative Intensity
59.01392	0.4
59.18879	0.3
67.94981	0.3
71.05033	3.5
73.65666	0.3
77.03964	0.5
79.01915	0.6
90.32404	0.2
93.02859	0.4
93.03460	12.0
95.04994	0.3
97.02388	0.3
97.02940	2.0
108.02177	0.5
109.02949	0.4
119.05031	100.0
120.05460	0.3
121.02959	2.1
122.03742	0.4
123.04517	0.4
125.02439	0.4
133.02962	7.9
134.03755	2.0
137.02432	0.6
138.03233	2.3
139.04013	15.0
148.01698	0.5
149.02466	0.7
149.06114	2.1
150.03220	1.4
165.01926	3.3
165.05627	0.6
166.02718	6.6
177.01939	0.3
185.06151	0.3
192.04228	0.6
193.01410	1.5
198.01814	0.4
201.05545	0.3
207.06624	0.4
233.04852	0.4
244.07433	0.3
245.08234	0.6
255.10313	7.6
259.09457	0.3
272.06915	0.5
284.19653	0.4
287.09384	2.2
303.08807	7.4
331.08286	8.4
331.11993	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1037
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
57.03458	0.8
59.01383	5.2
61.98856	0.6
65.00353	0.6
66.63545	0.6
69.03468	1.1
71.01400	3.9
71.05032	1.3
72.97536	0.8
73.02935	1.2
78.95898	0.7
79.95760	1.2
81.03462	1.1
83.01410	3.0
87.00890	4.7
92.10243	1.1
93.46572	0.6
96.96012	100.0
97.02947	1.1
99.04544	3.8
101.02476	2.3
107.01420	3.6
109.02946	2.8
115.04010	1.1
120.66560	0.6
122.03728	3.3
123.00906	1.3
123.04539	3.1
124.01662	5.7
124.04904	1.1
125.02447	41.5
135.04562	0.9
136.04866	0.6
137.02438	0.7
138.03217	2.4
139.04024	88.1
143.03539	3.7
147.03297	8.5
149.99605	9.3
151.00404	10.8
152.98338	0.7
153.01939	5.2
160.04054	1.0
161.04587	13.7
167.03526	0.7
168.00645	22.2
168.04306	3.6
169.01448	15.7
169.05075	93.7
173.04774	0.8
189.06740	3.7
211.02554	1.0
233.05765	3.6
262.48163	0.6
313.05826	1.3
323.57108	0.7
331.06735	34.9
331.10464	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0673
Annotation	Unknow
Peak:m/z	Relative Intensity
63.98631	0.4
68.32516	0.5
69.03445	4.0
71.01382	0.6
81.03467	2.4
83.01387	1.2
94.38761	0.5
95.01412	1.1
97.02927	4.2
97.67791	0.5
101.02539	0.5
107.01395	3.4
111.00904	0.9
112.79514	0.6
115.52573	0.5
123.00883	5.8
124.01662	25.4
125.02441	97.5
135.04556	0.8
136.04839	0.6
137.02373	0.8
149.99597	41.2
151.00377	5.6
164.82983	0.5
167.03453	0.7
168.00644	80.3
169.01431	12.4
193.01506	0.9
196.65366	0.5
313.05768	8.3
331.06760	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.73412	0.6
59.01395	3.1
59.96325	0.6
60.38114	0.7
69.03480	1.2
69.56461	0.7
73.96397	0.7
81.03463	1.2
83.01437	1.0
90.45320	0.7
96.96043	1.1
97.02974	0.9
108.02190	4.7
111.00951	1.0
113.42567	0.7
123.00887	3.0
124.01649	9.4
125.02447	100.0
137.22084	0.7
151.00385	4.7
168.00659	11.8
169.01442	99.2
172.32242	0.8
322.00113	0.9
331.06769	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.0675
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
56.33173	0.6
60.57341	0.7
63.97583	0.9
69.03468	4.0
81.03444	1.5
83.01394	2.0
95.01390	1.2
97.02971	6.0
107.01388	1.3
123.00894	6.8
124.01667	25.1
125.02448	96.4
140.02213	0.8
149.99600	47.5
151.00334	3.6
153.32256	0.8
167.03368	0.9
168.00656	92.6
169.01511	7.6
199.06837	0.8
313.05707	9.7
331.06769	100.0
332.07205	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2336
Annotation	9,10,13-TriHOME
Peak:m/z	Relative Intensity
57.03462	0.8
59.01388	4.7
71.05009	0.8
83.05030	1.2
84.02164	0.5
86.16432	0.5
99.08147	11.6
125.09722	1.9
127.11304	4.9
129.09285	0.6
135.04520	0.6
139.11302	10.6
155.10745	0.7
155.14380	0.9
157.12280	0.9
167.14429	1.9
171.10280	21.6
171.11652	1.1
183.13895	7.0
193.12390	1.9
201.11407	0.5
207.41017	0.5
209.11850	2.5
211.13429	34.1
229.14459	19.0
293.21381	0.7
311.22375	1.0
329.23373	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2702
Annotation	CHEBI:79291
Peak:m/z	Relative Intensity
60.55045	3.5
82.46404	3.5
110.19749	3.5
131.63120	3.3
221.15425	14.0
236.10422	5.0
253.25418	25.6
267.26993	4.0
283.26428	20.4
329.27017	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	330.0834
Annotation	Unknow
Peak:m/z	Relative Intensity
60.40029	0.5
61.64505	0.4
79.04910	0.4
83.16114	0.4
109.02976	0.6
137.02423	4.5
138.03232	8.6
141.25923	0.5
167.02197	4.2
168.03035	100.0
168.79506	0.5
203.73000	0.5
256.70755	0.6
330.08319	14.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	1.3
57.03464	1.4
58.00608	3.1
59.01388	100.0
60.61673	0.5
71.01384	43.8
71.01772	1.5
72.99323	3.6
83.01418	3.1
85.02966	10.4
87.00896	2.4
89.02446	45.7
95.01393	3.0
99.00885	0.6
101.02442	19.3
108.02206	1.2
113.02457	17.2
114.13138	0.6
119.03511	16.5
122.03772	3.1
126.41114	0.6
131.03490	1.1
138.01991	6.1
143.03534	1.2
146.12903	0.6
151.02794	4.0
152.02425	1.1
152.03554	16.0
161.04584	1.1
164.03621	0.7
166.01463	7.0
168.03040	46.3
179.05704	3.6
180.03056	0.8
183.01814	1.3
186.65616	0.7
192.03040	3.8
210.04103	8.6
217.74728	0.7
222.04126	4.1
240.04996	1.0
257.81134	0.7
270.06226	0.7
318.92181	0.8
330.08392	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1399
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01384	100.0
68.03564	0.8
70.93115	0.6
92.10187	1.1
133.02939	1.5
149.06035	0.7
154.41928	0.7
167.24413	0.8
170.03497	0.7
170.80533	0.7
180.05760	0.9
193.06461	0.8
195.08188	0.9
222.06830	4.9
222.92281	0.7
238.06311	1.1
239.07094	10.6
253.08684	8.3
269.11832	12.7
269.21100	1.1
275.63135	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1145
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	12.1
61.41990	1.5
70.81383	1.6
72.00918	9.1
72.45921	1.4
75.34376	1.3
96.71904	1.6
135.04503	3.6
145.05345	2.2
147.03220	2.7
160.04063	61.9
161.04800	2.6
168.04541	2.6
170.06157	1.9
172.03999	2.5
173.04808	3.3
174.05473	2.2
182.43617	1.9
184.03958	6.8
184.07677	3.4
186.05623	65.6
187.06352	12.5
188.03526	3.0
198.05646	30.5
200.03513	2.5
200.07153	10.3
210.05667	3.1
212.07289	11.5
212.10835	1.7
214.05148	3.6
214.07262	3.2
214.09109	1.8
215.09552	82.2
215.11601	3.0
225.07921	2.1
226.05139	100.0
226.08580	3.3
227.05774	6.5
227.09616	2.8
228.10275	9.7
230.06992	2.1
239.05870	10.5
239.11842	2.4
240.06642	8.5
240.10355	6.8
241.11105	6.5
243.08984	8.2
254.08292	2.0
256.08704	2.0
257.13004	30.7
267.11383	9.2
284.09290	2.1
285.12473	63.1
300.07553	53.2
301.11993	8.8
329.11420	36.9
329.15091	2.1
329.19821	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1037
Annotation	beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
56.12470	1.0
59.01394	5.5
59.55821	1.0
65.00346	0.9
65.68311	0.9
71.15183	1.2
77.50874	1.3
95.12196	1.2
107.01446	1.2
108.02203	4.6
123.04499	2.2
131.22427	1.1
133.16318	1.4
134.03752	100.0
136.01695	12.1
145.03012	1.7
149.02449	8.4
149.06102	61.9
150.03273	1.6
151.00426	1.7
151.04027	4.4
153.01941	17.2
163.00453	1.4
164.01161	2.1
165.01889	1.6
167.03540	2.4
174.11266	1.1
175.00388	2.5
177.01984	18.3
177.16304	1.1
178.02734	1.7
179.02016	2.4
179.03525	49.7
187.04083	1.6
191.03493	2.8
193.05132	5.4
193.16005	1.3
204.48732	1.1
220.14810	1.4
221.15468	1.7
293.17563	1.8
299.05850	2.3
329.10355	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.68586	0.4
57.03453	0.7
57.80862	0.4
59.01383	5.0
60.63239	0.4
71.01393	0.6
71.40241	0.3
74.16650	0.4
74.30124	0.4
81.03451	6.8
83.01390	4.4
93.03457	0.5
95.05037	1.6
97.02939	0.6
98.89184	0.4
99.04502	0.5
121.02957	1.0
123.04524	55.7
125.02441	7.2
135.04515	1.7
137.02415	1.0
139.04057	0.5
149.02460	2.0
151.00388	2.0
151.04013	1.6
163.04027	2.7
166.02693	0.6
167.03506	100.0
175.00435	0.6
179.03543	2.1
181.05107	3.3
191.03531	18.8
209.04626	6.8
221.04614	2.4
329.08679	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	329.0881
Annotation	Unknow
Peak:m/z	Relative Intensity
55.97866	0.2
57.03461	0.5
59.01385	2.5
60.90553	0.3
65.00341	0.5
69.94619	0.3
70.44319	0.3
71.01398	0.4
74.85575	0.3
76.02814	0.3
81.03461	7.0
83.01383	3.0
93.03490	0.5
95.01403	0.6
95.05032	2.0
97.02961	0.5
100.19301	0.3
102.03131	0.3
107.01407	0.3
109.02985	0.3
120.12669	0.4
121.02966	0.7
123.04526	55.3
125.02457	6.7
135.04523	2.5
139.04016	0.6
149.02470	0.5
151.00415	1.8
151.04045	1.4
163.03998	1.7
166.02705	0.5
167.03513	100.0
175.00404	0.8
179.03516	1.4
180.04301	0.5
181.05092	3.7
191.03517	20.0
193.05084	0.3
194.21312	0.3
209.04591	8.1
221.04692	2.3
262.07959	0.3
329.08914	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	329.0882
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.28696	1.0
54.15910	0.9
55.49021	1.0
58.00598	2.3
59.01384	100.0
66.48555	1.1
71.01382	38.2
72.99303	1.4
76.55207	1.0
77.59196	1.3
80.02702	1.2
83.01392	1.5
84.53863	1.1
85.02945	11.5
89.02441	45.2
91.42584	1.0
92.12469	1.2
95.01424	1.5
101.02443	19.0
106.55577	1.1
106.68827	1.2
108.02174	14.3
113.02440	14.9
119.03482	16.3
121.02988	2.0
123.04521	23.2
133.05817	1.2
143.03529	1.3
155.51904	1.3
167.03517	25.7
179.05574	1.6
188.56174	1.3
190.29716	1.1
209.04593	18.1
239.05547	2.8
239.21182	1.2
269.06702	15.3
329.08875	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.088
Annotation	Unknow
Peak:m/z	Relative Intensity
54.71107	0.3
57.03461	0.4
57.23081	0.3
57.76068	0.4
59.01390	2.1
66.06067	0.4
71.01380	8.5
73.02956	3.5
77.84013	0.4
82.76212	0.4
83.01411	0.5
85.02951	5.7
87.00896	0.6
93.03457	0.5
95.01398	1.0
99.00893	0.8
101.02442	5.8
108.02180	3.1
109.02942	2.1
112.60542	0.4
113.02448	5.0
118.10286	0.5
121.02961	2.0
122.03738	100.0
123.04525	24.1
125.02462	0.5
135.04533	20.3
135.31592	0.4
137.02448	1.6
137.03473	0.7
137.06067	0.7
143.03484	0.7
147.04514	0.7
149.00882	1.8
153.05600	0.9
159.02963	1.9
161.04552	8.1
165.05536	3.4
167.03543	0.6
177.05598	2.0
186.89084	0.4
197.04544	0.5
278.96423	0.4
285.09811	0.9
329.05515	0.5
329.08908	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	329.088
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
55.91827	0.3
55.95316	0.3
57.03443	0.5
69.22797	0.3
76.57851	0.4
81.03456	7.2
83.01382	4.4
85.84261	0.4
95.05032	0.7
99.04515	0.6
107.01360	0.5
117.81882	0.3
123.04522	44.9
125.02453	8.6
151.00372	2.4
163.04008	0.5
167.03503	100.0
168.03716	0.7
171.87506	0.4
183.92412	0.4
188.42494	0.5
209.04744	0.7
242.50050	0.4
286.34348	0.4
329.08905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0883
Annotation	Unknow
Peak:m/z	Relative Intensity
53.41283	0.9
55.01884	5.5
57.03462	2.6
58.15491	1.0
59.01396	6.2
71.01385	36.3
73.02953	11.8
83.01401	6.5
85.02957	21.8
87.00890	4.3
89.02478	1.1
95.01404	2.6
99.00876	4.9
99.04528	1.1
99.40693	1.0
101.02454	19.5
108.02194	10.2
109.02966	6.3
113.02467	11.4
114.39195	1.0
115.72128	1.3
121.02968	1.3
122.03747	89.3
123.04533	100.0
135.04536	59.0
137.02480	2.0
143.03589	1.3
149.00893	4.5
152.87160	1.1
153.05574	1.9
159.02975	5.2
161.04572	23.9
167.03520	3.9
177.05615	1.9
197.04668	1.3
205.66270	1.1
215.64247	1.2
258.84335	1.1
329.08817	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	329.0518
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	1.3
57.03459	0.7
58.09879	0.3
59.01386	3.0
68.93547	0.3
71.01379	10.3
73.02949	3.5
74.05935	0.3
83.01379	0.7
85.02943	5.8
87.00877	0.5
89.02419	0.4
95.01389	1.4
99.00897	0.8
101.02438	6.3
108.02151	2.7
109.02965	2.7
113.02452	4.9
116.16479	0.3
121.02953	1.4
122.03738	100.0
123.04526	26.6
133.04340	0.3
134.03696	0.4
135.04521	18.4
136.05347	0.3
137.02429	1.5
137.03516	1.1
137.06100	1.6
147.04543	0.7
149.00908	0.6
153.05614	0.6
157.55795	0.3
159.02989	0.8
161.04568	8.1
164.93628	0.3
165.05573	3.6
167.03510	0.4
177.05554	1.4
285.09860	0.6
317.80692	0.3
325.17480	0.4
329.05096	0.5
329.08789	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0672
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
57.51110	1.7
59.01389	11.4
63.96409	2.3
80.06978	2.8
90.62691	2.6
96.09817	2.0
97.78615	2.1
99.08159	4.6
104.25832	2.2
121.02942	2.9
122.70919	2.3
171.10287	3.7
183.13893	5.0
199.04056	10.5
203.37108	2.7
211.13475	27.1
215.03490	9.9
227.03506	5.7
229.14464	13.4
242.02232	20.5
243.03004	86.7
255.03020	2.9
257.04636	17.1
259.15561	2.6
270.01733	18.1
271.02536	98.4
281.12827	2.4
285.04089	43.7
286.04794	4.9
299.02042	51.4
314.04391	91.5
329.06750	100.0
329.19894	4.5
329.23416	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
50.09876	1.1
54.83046	1.1
56.07370	0.9
59.01393	100.0
68.01440	1.0
73.52815	1.1
74.15806	1.0
140.97937	1.1
143.79747	1.2
327.29086	65.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.104
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74198	1.9
51.51619	1.9
51.98345	1.9
55.01906	2.6
55.30519	1.6
59.01384	26.1
59.17733	1.8
59.62579	1.6
61.98834	19.8
63.85005	1.6
67.37337	1.8
69.35135	1.7
71.01385	38.9
72.99346	1.7
73.02954	8.5
76.31640	1.8
83.01408	3.4
83.49265	2.4
85.02971	18.9
87.00898	2.5
89.02457	4.0
93.03454	3.9
96.96039	2.6
101.02461	16.5
105.03491	3.0
106.03786	2.9
107.04986	2.2
108.02179	8.0
108.05395	2.2
109.02960	3.5
113.02443	18.4
120.04565	2.8
121.02950	99.6
123.04547	4.7
130.02988	100.0
133.02940	27.6
134.03316	34.9
135.04514	22.1
148.04060	67.2
149.00925	3.4
152.04358	3.0
159.02974	2.4
161.04581	25.0
166.05116	33.9
167.03458	4.2
195.02994	3.5
196.03313	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	329.0218
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96653	0.5
59.01385	58.0
60.39304	0.5
63.39469	0.6
65.65804	0.6
66.90018	0.5
70.39477	0.6
70.84182	0.6
76.84812	0.5
81.63096	0.6
89.41277	0.6
89.85872	0.5
99.64629	0.6
115.02536	2.8
117.00439	11.1
127.36965	0.6
142.34158	0.6
143.02023	1.5
144.99986	0.7
159.01501	100.0
160.01602	0.9
170.97844	6.7
187.01003	83.8
201.02557	13.8
232.98335	1.1
274.99371	3.4
328.96762	1.0
329.02173	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	327.2544
Annotation	2-palmitoleoyl-glycerol
Peak:m/z	Relative Intensity
50.57426	1.1
51.62782	1.5
52.91444	1.3
63.46269	1.7
65.55094	1.7
70.85641	1.3
92.10046	3.3
97.53817	1.3
126.69747	1.5
132.93622	1.5
140.42728	1.6
201.67772	1.6
265.22614	3.0
265.25397	75.8
309.24377	26.8
327.18396	9.2
327.25430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2907
Annotation	20-hydroxyicosanoic acid
Peak:m/z	Relative Intensity
61.49018	2.1
81.59743	2.3
92.10820	6.9
134.35410	2.4
136.40999	2.9
175.12540	2.4
184.93834	2.7
327.29095	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2908
Annotation	L-2-Hydroxyphytanate
Peak:m/z	Relative Intensity
51.19864	1.3
55.74461	1.2
56.11811	1.2
56.48418	1.1
58.51816	1.2
92.65694	1.4
281.28543	5.5
320.31418	1.6
327.29080	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.218
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
50.96157	0.6
57.03459	3.6
59.01379	1.2
69.03467	3.3
71.32066	0.6
83.05003	0.8
84.02149	0.7
85.02961	12.9
89.19521	0.7
93.78080	0.7
97.02898	1.0
97.06592	5.6
112.01845	0.7
125.09698	2.6
127.11304	3.4
133.02936	3.0
137.09729	1.6
149.00877	0.8
165.12886	1.7
171.10286	27.0
177.12817	1.0
183.13924	6.6
185.11855	1.1
193.12358	1.6
201.11275	0.8
209.11864	1.5
211.11423	1.1
211.13411	25.6
221.11827	3.8
229.14493	12.8
239.12920	4.0
270.85608	0.8
291.19650	2.9
327.21820	100.0
328.21777	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2182
Annotation	9S,12R,13S-Trihydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
59.01395	3.4
73.02972	9.4
87.00896	10.1
99.08178	3.6
105.03449	3.4
112.05309	2.7
114.95102	2.4
121.71626	2.6
123.04572	2.7
127.07687	13.6
129.09230	48.0
133.02956	30.5
141.09210	23.6
149.00961	19.0
151.04001	5.7
155.10818	25.8
171.10283	15.8
185.11845	59.5
195.03038	11.1
197.11861	55.8
209.11823	15.0
230.69264	2.6
257.57623	2.3
264.71887	2.3
291.19754	17.9
309.20734	34.3
327.21851	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0857
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	14.6
61.26825	9.9
76.40421	10.3
86.23872	11.3
92.66441	12.2
133.02962	100.0
134.03729	17.7
137.02515	13.8
142.79138	13.1
150.41942	11.3
151.03987	13.9
165.01907	58.6
200.86790	12.2
327.08719	16.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0879
Annotation	6,8-Di-C-methylkaempferol 7-methyl ether
Peak:m/z	Relative Intensity
57.03460	2.0
59.01383	12.0
61.92328	1.6
71.01408	2.0
85.02958	10.2
87.00884	3.6
89.67365	2.3
93.03456	31.3
96.99322	7.2
105.03455	2.6
109.02987	4.6
117.03420	3.4
119.05015	41.3
123.04522	4.4
131.04997	8.4
133.02954	47.1
134.03773	3.6
137.02434	2.6
143.05045	22.9
143.43813	1.9
145.02989	3.5
149.00914	9.6
151.03979	3.8
153.16434	2.0
163.03984	13.3
165.01978	3.1
165.05542	25.3
171.60219	2.0
195.02977	15.3
211.07596	11.8
235.07605	9.4
237.09166	9.6
265.06735	1.9
265.08752	27.7
309.07690	4.7
327.08737	100.0
327.14484	2.7
327.18188	2.4
348.06165	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	327.1089
Annotation	Androsin
Peak:m/z	Relative Intensity
53.45633	0.5
55.01899	1.4
57.03462	4.7
58.00608	0.7
58.91779	0.5
59.01388	31.1
64.13952	0.5
71.01395	5.5
72.99305	0.6
73.02954	0.7
81.82393	0.6
83.01405	1.5
85.02954	16.4
87.00883	0.7
89.02428	0.9
93.03455	8.3
101.02466	3.0
105.03466	1.2
110.04395	0.6
111.00882	2.5
113.02456	0.7
119.03490	0.6
121.02956	3.2
121.06617	8.0
123.04478	2.4
129.01958	3.7
133.02963	10.2
134.03712	0.8
145.39583	0.7
147.04552	9.4
151.04007	1.3
161.04599	0.9
164.03639	0.9
165.04149	3.7
165.05577	100.0
177.02025	0.7
195.03062	3.0
205.03693	1.1
238.12366	0.6
258.89389	0.6
282.65613	0.7
327.10965	3.2
335.26523	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0723
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79321	1.1
54.74333	1.2
55.01878	11.8
57.03454	31.8
59.01385	15.9
67.01891	1.4
68.28287	1.1
71.01376	12.1
72.62817	1.0
72.99294	1.7
73.02957	6.4
75.00858	1.7
75.01247	1.2
83.01387	17.2
84.02163	2.3
85.02951	100.0
88.01685	1.1
89.02460	4.7
92.66739	1.5
99.00891	2.3
101.02448	8.3
105.03468	1.9
107.05015	1.4
111.00884	25.7
113.02409	1.8
121.02963	20.8
123.04526	1.7
129.01942	30.1
133.02957	21.7
134.03752	1.9
147.04543	60.9
149.00951	1.7
151.03966	1.6
161.04495	2.1
165.05515	1.4
177.01982	2.4
194.62129	1.2
195.03023	7.7
205.03545	12.8
267.63870	1.2
327.07404	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	327.0726
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	7.1
57.03450	30.0
57.03710	1.5
58.03467	1.0
59.01389	5.1
67.01909	1.9
67.45422	0.9
71.01370	7.2
72.99330	4.9
73.02950	6.2
75.00861	1.1
80.00286	1.0
83.01376	14.2
84.02180	2.2
85.02955	100.0
87.00873	4.1
99.00871	1.6
101.02444	6.2
105.03461	2.5
107.05035	1.5
109.02934	2.3
111.00876	20.8
111.61147	0.9
111.72232	0.9
119.31384	1.1
121.02962	26.5
123.04521	1.8
129.01944	35.7
129.02829	2.0
133.02969	38.0
134.03732	4.2
149.00900	1.3
151.04034	6.7
154.97498	1.1
159.82944	1.0
161.04503	1.5
164.96410	1.2
177.01921	1.9
195.03008	12.3
205.03569	14.4
257.82138	1.3
286.45462	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99976	2.2
59.01392	6.0
59.32902	2.7
69.88526	2.3
77.47145	2.7
77.71482	2.5
85.02947	3.5
87.00901	6.2
87.67574	2.6
92.10013	2.8
95.05047	3.1
96.96011	3.3
105.03466	16.5
107.05043	3.3
108.02148	2.6
109.02948	26.0
109.34302	2.5
123.04537	3.1
123.25626	2.4
133.02948	100.0
134.03711	13.2
135.04530	41.5
147.03021	5.1
149.00908	22.2
151.04027	20.3
165.01976	5.2
177.01900	11.7
183.75877	3.1
195.03008	28.7
259.97461	2.9
261.35977	3.0
327.08206	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	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69802	0.5
55.01884	0.5
55.72127	0.5
59.01389	100.0
60.30944	0.6
64.93307	0.5
71.01392	3.3
73.02969	0.7
84.61156	0.7
85.02966	1.3
87.00880	1.2
89.02467	0.7
101.02451	5.3
110.12164	0.5
112.98798	1.1
113.02408	0.8
114.39601	0.8
117.03506	2.4
131.67279	0.5
134.03740	20.4
135.04532	2.3
141.50940	0.7
149.06084	2.3
152.70142	0.5
161.04579	3.5
166.13771	0.5
178.02750	1.3
179.03481	1.4
193.05084	14.8
223.57779	0.6
247.66336	0.6
256.60757	0.6
265.12961	10.0
283.69223	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2752
Annotation	2-Oxophytanate
Peak:m/z	Relative Intensity
50.22373	3.7
53.14079	4.1
54.69207	4.1
54.94846	4.0
64.70239	5.1
65.70624	4.6
68.28455	5.2
71.05033	11.0
72.74632	4.3
113.60092	5.3
163.19452	5.2
183.01207	65.3
281.28473	23.0
297.49380	5.3
304.19022	6.2
325.18484	72.8
325.27490	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.2755
Annotation	Lesquerolic acid
Peak:m/z	Relative Intensity
51.43890	1.6
56.19557	1.9
56.90107	1.7
122.61372	2.2
126.69411	2.2
134.03726	3.7
176.80266	2.2
183.01244	9.2
240.14311	2.2
265.21750	2.7
325.18552	21.8
325.27551	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.0361
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	12.6
59.83020	0.4
60.01719	0.6
61.01815	1.1
61.67727	0.5
64.03241	0.4
69.54877	0.5
71.01400	0.7
72.99320	0.7
73.66105	0.5
75.00912	0.6
77.03968	1.8
81.03463	2.2
82.52132	0.5
85.02969	0.7
87.00877	5.2
89.03985	0.5
93.03476	0.7
95.05035	4.4
96.96070	0.6
101.02417	1.0
105.03468	13.0
107.05032	8.2
108.02212	1.1
109.02967	12.3
121.02969	2.3
123.04527	7.7
131.63988	0.5
133.02963	100.0
134.85307	0.5
135.04562	6.5
149.00937	8.0
151.04010	15.2
165.01912	0.7
177.01927	10.7
195.03004	33.3
195.44844	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0932
Annotation	Unknow
Peak:m/z	Relative Intensity
54.16120	0.3
57.03465	0.3
59.01398	0.3
64.09505	0.2
67.12688	0.3
76.56899	0.3
81.03466	0.7
83.01417	0.5
87.00888	0.3
89.02464	0.3
93.03457	0.7
95.05013	0.3
97.02965	1.2
102.80384	0.3
109.02962	4.5
112.98795	0.5
113.07129	0.3
115.59283	0.3
117.03454	1.0
119.05029	100.0
120.05340	0.4
121.02968	0.4
123.04517	3.8
125.02444	3.6
134.03754	9.9
137.02422	1.7
139.04028	0.5
145.02994	0.3
149.00920	1.4
149.02429	0.6
149.06119	0.3
151.04044	2.1
161.06030	1.3
163.04018	44.4
164.01144	0.4
175.03963	0.4
178.02623	0.3
179.03505	0.5
187.04071	0.5
188.04735	0.5
193.05075	6.5
200.49245	0.3
203.07159	2.9
205.05072	1.5
221.08180	1.5
242.66190	0.3
245.08206	2.8
289.07199	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	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01396	0.3
68.42215	0.2
71.88273	0.2
73.70875	0.2
76.67326	0.2
79.85437	0.2
80.51005	0.2
87.00925	0.3
91.97710	0.2
92.10097	0.5
117.03454	0.3
119.05032	100.0
120.05336	0.3
134.03758	4.5
149.00952	0.3
163.04025	47.1
164.04253	0.3
187.11328	0.3
193.05058	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	325.1507
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26469	0.5
59.01387	100.0
71.01396	3.9
73.02968	2.3
76.07770	0.5
76.68035	0.5
85.02985	2.2
87.00903	2.4
89.02467	1.0
96.96044	0.6
99.00854	0.8
101.02476	3.5
112.98798	0.6
113.02467	0.7
113.90593	0.5
117.03487	3.0
134.03749	24.1
135.04456	0.7
149.06102	1.3
161.04559	4.2
178.02730	1.2
192.28946	0.6
193.05078	18.2
196.54132	0.6
200.79195	0.6
214.18950	0.5
218.56613	0.5
223.44821	0.6
265.12973	8.5
284.17862	0.6
296.58743	0.6
324.42673	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99998	0.5
57.03477	0.6
59.01385	10.5
65.60872	0.8
71.01391	4.9
72.99318	1.3
73.02973	1.1
84.15887	0.7
87.00876	5.6
89.02464	3.3
89.03998	0.7
101.02448	3.1
103.00379	1.2
106.04280	0.7
112.98866	1.3
117.03465	33.7
119.05027	5.7
119.12881	0.7
133.06648	1.1
134.03746	60.4
135.04482	3.0
143.03593	0.8
145.02966	100.0
149.00937	9.9
149.06104	3.3
161.06174	1.2
162.54146	0.8
163.02505	8.9
163.04028	5.7
187.04045	2.9
193.05083	35.9
202.90778	0.7
210.01315	0.7
233.70889	0.8
258.60986	0.7
265.07095	0.8
325.09412	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	325.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11024	0.5
54.79058	0.5
58.92053	0.6
59.01386	8.8
72.99313	1.2
74.22726	0.5
75.33475	0.6
76.15979	0.6
84.99373	0.8
87.00869	7.7
89.03961	2.4
101.02419	0.8
103.00380	3.1
103.80368	0.6
112.98811	4.9
117.03464	8.7
119.05039	0.7
133.84152	0.5
134.03751	100.0
135.04536	12.9
137.02502	0.8
141.07500	0.6
145.01410	0.9
146.95544	0.7
149.00894	8.5
149.06099	6.1
163.02483	3.9
163.03836	0.7
178.02699	4.9
179.03532	8.2
192.74417	0.7
193.05083	68.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0699
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45602	0.8
57.03459	6.1
59.01385	14.5
64.83559	1.0
71.01379	21.6
72.93736	1.0
72.99332	4.6
73.02959	2.2
75.00855	1.2
83.01405	4.6
84.05705	1.0
85.02960	4.4
87.00875	12.9
89.03966	1.6
90.45699	0.9
99.00879	21.2
101.02455	1.1
103.00378	3.9
111.00905	13.6
112.98824	59.4
115.00353	2.0
117.03470	8.8
129.01939	7.4
134.03752	100.0
142.99817	1.9
145.01401	1.7
149.00955	11.6
149.06056	8.2
163.02490	3.8
163.03790	1.2
173.00899	8.7
178.02707	6.5
191.02092	2.0
193.03302	2.2
193.05089	67.7
308.77347	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2233
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
52.01395	4.7
54.20705	4.7
59.01406	25.5
59.57589	5.5
67.02332	4.8
92.10094	5.1
109.31281	4.7
129.42958	4.9
143.55283	5.8
151.11333	7.4
167.04768	5.5
181.12370	7.5
185.99805	6.2
197.11853	66.0
273.18573	8.1
291.19736	37.0
323.22360	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	323.223
Annotation	Decylubiquinol
Peak:m/z	Relative Intensity
56.69466	3.9
59.01394	16.2
60.55649	3.6
92.66257	4.5
93.40372	4.2
95.73318	3.9
99.26524	4.1
150.78404	4.4
208.53969	4.4
234.98366	4.1
291.19699	100.0
323.16794	8.5
323.22327	91.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2316
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21233	5.4
57.94992	5.4
59.01384	11.6
61.98858	6.7
117.03457	7.1
134.03764	100.0
179.06812	7.0
193.05101	54.8
266.99246	8.1
337.10461	8.8
338.69876	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	325.0416
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45335	0.3
52.56293	0.3
54.33870	0.3
60.11152	0.3
67.87169	0.4
71.01389	22.2
72.99309	4.1
73.40543	0.3
87.00893	0.7
89.02470	3.9
115.00378	68.4
118.29482	0.5
126.50875	0.4
133.01434	100.0
182.78349	0.4
206.87346	0.4
245.88684	0.4
284.16833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0567
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	11.4
59.01391	38.2
71.01385	5.3
72.99315	3.4
73.02959	15.9
83.01421	2.5
87.00890	18.5
92.10243	2.1
101.02437	12.2
103.00377	29.7
103.18755	1.2
115.00385	2.7
117.03470	16.0
119.03477	2.5
119.05011	1.7
126.10738	1.3
127.00360	9.0
133.01460	2.7
133.02945	2.9
134.03741	100.0
135.04539	24.4
137.02454	1.5
145.01466	12.0
145.02966	27.2
149.00954	23.4
149.06145	10.3
161.97525	1.3
163.02502	99.2
178.02763	13.6
179.03503	8.9
193.03288	2.8
193.05070	78.2
217.20461	1.5
221.39986	1.3
325.05649	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	322.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03468	1.1
59.01389	10.0
71.01405	5.2
71.05027	9.6
72.00935	1.3
82.70023	1.0
84.00913	91.0
86.02505	4.3
87.04545	6.2
99.04548	1.7
101.02422	2.1
114.01974	41.9
117.01974	1.8
118.85506	1.0
128.07202	5.5
132.74417	1.1
142.05112	100.0
156.06683	77.4
158.80861	1.2
160.04010	1.4
178.75435	1.0
184.06160	10.6
202.07205	12.2
234.06184	1.2
244.52884	1.0
271.48233	1.0
276.10794	5.2
304.10385	19.5
312.97229	1.2
322.11514	20.1
323.09576	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	322.2026
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
51.00578	0.7
51.79394	0.7
53.62531	0.6
58.02985	1.3
59.01394	1.0
59.92741	0.8
69.52874	0.7
78.50563	0.8
81.03503	0.9
92.00138	0.8
92.10112	1.7
109.06590	0.8
111.97007	0.7
117.48972	0.8
128.10828	5.7
130.08740	100.0
135.04539	1.0
165.05548	1.1
190.29483	0.8
322.20288	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	0.3
55.24688	0.2
59.01378	0.9
71.01379	0.5
73.02957	73.0
74.03299	0.3
78.95898	0.3
99.00887	6.7
112.98788	0.3
116.92855	1.2
117.01948	100.0
118.02174	0.2
124.00694	0.8
251.03568	0.9
323.09171	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78649	0.3
53.23522	0.2
59.01379	0.4
63.78854	0.3
72.99335	0.3
85.02956	12.6
89.03977	3.4
92.10105	0.6
106.04274	0.7
111.00897	0.5
111.12409	0.3
111.53461	0.3
117.03466	10.1
129.01929	0.6
133.02977	1.9
134.03741	100.0
135.04028	0.3
137.02423	1.4
149.06111	7.0
177.01967	0.3
178.02669	3.2
187.70839	0.4
193.05077	63.1
202.14276	0.4
219.47728	0.4
250.45694	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84564	0.3
53.24294	0.3
54.52297	0.3
57.03463	3.6
57.95528	0.3
58.11218	0.3
59.01397	2.1
72.99316	6.7
85.02957	21.4
89.03983	1.9
92.10168	0.5
101.02459	2.1
103.04005	0.7
110.22346	0.4
117.03477	5.1
129.01953	10.4
134.03755	100.0
135.04053	0.4
143.03558	0.7
147.03020	40.1
149.06123	3.3
149.17792	0.4
161.04619	0.6
193.05095	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1349
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99450	1.2
54.23084	1.0
55.01899	2.2
58.00595	1.8
59.01388	100.0
59.82255	1.1
69.38756	1.2
71.01390	34.1
73.02972	1.5
85.02953	11.1
85.07256	1.3
89.02455	43.1
95.01401	2.9
98.02592	1.2
101.02434	22.5
102.94150	1.2
113.02461	12.8
119.03516	16.5
179.05589	1.4
227.91194	1.7
291.53415	1.6
323.13507	72.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2233
Annotation	Annosquamosin G
Peak:m/z	Relative Intensity
59.01395	10.4
63.17868	2.2
64.34389	2.3
70.84566	2.2
73.83495	2.1
76.08312	1.9
77.65940	2.3
93.06779	2.3
103.43172	2.2
104.99577	2.5
118.22748	2.0
123.08210	2.7
125.09694	3.8
125.48617	2.2
138.23842	2.4
163.11270	3.5
197.11861	5.4
291.19666	13.8
305.21133	18.3
308.19940	9.1
323.16632	3.0
323.22357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0828
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03461	1.4
59.01384	5.4
60.33053	0.7
63.96192	0.7
64.81303	0.8
69.71944	0.9
71.01398	3.5
73.02950	14.7
83.01410	1.8
84.81577	0.8
85.06602	25.3
85.07101	1.3
92.10792	1.8
101.02431	16.3
103.00374	20.8
106.99414	0.9
113.06100	24.8
115.00369	4.7
115.04017	63.0
119.03489	2.1
119.04958	0.9
120.85886	0.9
125.02436	14.4
127.00367	4.3
128.52985	0.9
129.05582	1.1
129.64807	1.1
131.07164	4.5
133.01395	2.2
145.01440	11.3
157.05055	5.3
163.02496	100.0
167.67140	0.9
168.93233	1.0
169.01430	18.0
169.99289	0.8
175.06125	69.4
192.19556	0.8
210.25526	0.9
211.04552	0.9
213.21700	0.8
219.36122	0.9
273.88257	1.1
304.92664	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1349
Annotation	14-Acetoxy-5alpha-hydroperoxy-isoalantolactone
Peak:m/z	Relative Intensity
59.01394	1.6
67.93581	0.8
70.70736	0.8
72.02045	0.9
121.02914	7.6
122.03752	1.8
133.02965	46.1
135.04561	4.3
147.04550	10.4
148.05322	46.6
163.07663	100.0
179.06290	0.9
189.03745	1.2
215.10654	1.1
241.12329	6.0
259.13452	22.7
277.14471	32.7
321.13474	36.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1558
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	100.0
59.12018	0.3
62.74658	0.3
69.03464	2.2
71.01386	3.4
72.99300	0.5
83.01404	0.5
84.99360	0.4
85.02962	2.0
89.02427	3.0
95.01396	0.4
101.02420	1.9
113.02468	2.6
119.03484	1.7
119.05029	2.5
131.03484	0.7
133.02951	0.4
157.01370	1.9
159.06841	0.4
163.02570	0.5
163.04018	1.6
170.22229	0.4
175.02457	4.2
209.42664	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1557
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	100.0
67.97581	0.3
71.01398	1.2
78.73093	0.3
85.02968	0.5
92.10117	0.5
92.42062	0.3
101.02425	1.4
113.02438	0.6
116.57431	0.3
125.02363	0.3
134.03612	0.4
151.95831	0.3
161.04553	0.4
249.79442	0.3
261.13455	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	321.2075
Annotation	Rapanone
Peak:m/z	Relative Intensity
54.82861	0.5
56.48685	0.4
58.81820	0.6
59.01384	100.0
61.21547	0.4
76.16959	0.5
93.62051	0.6
103.04105	0.6
104.38439	0.5
111.89722	0.5
118.03288	0.5
139.23569	0.5
141.01805	0.6
185.83130	0.6
219.17679	0.8
277.18188	0.8
311.03796	0.5
321.20767	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.0934
Annotation	I3CO2Glc
Peak:m/z	Relative Intensity
55.01888	1.0
57.03440	1.5
58.00591	1.7
59.01386	100.0
71.01384	41.1
71.01779	1.5
71.44077	0.7
72.99319	4.5
78.00649	0.8
83.01399	3.3
85.02950	11.7
87.00872	0.9
89.02445	43.7
95.01395	3.5
101.02449	19.1
104.60006	0.8
113.02453	15.0
116.05065	37.7
119.03487	12.3
144.04610	1.2
149.04488	0.8
153.40237	0.8
160.04054	40.0
161.04573	1.1
162.01917	0.7
179.05652	3.0
202.05109	24.6
232.06181	1.9
262.07251	26.7
292.63605	0.8
302.37491	0.8
322.09375	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01906	1.1
57.03460	5.5
59.01387	17.4
61.01026	15.5
64.83237	0.6
67.00217	0.5
67.01919	1.1
68.99572	4.9
69.03476	1.3
71.01382	26.2
72.99326	2.4
73.02945	6.4
83.01400	8.8
85.02956	10.9
87.00878	51.8
89.02483	2.7
96.96060	0.8
97.02997	0.7
99.00882	4.6
99.02623	3.3
100.36228	0.6
101.02441	7.6
102.34676	0.6
103.00377	0.5
111.00887	19.3
112.98678	3.7
113.00600	1.3
113.02471	2.1
115.00378	76.4
115.02077	15.9
115.04031	0.7
127.00401	16.1
127.02116	2.9
129.01999	0.9
129.03664	2.1
131.01570	0.9
143.01578	0.8
145.01505	2.8
145.03200	2.3
147.03058	2.3
149.04581	4.3
150.72719	0.6
156.05043	0.6
157.01418	0.5
157.01712	0.6
157.03139	16.8
171.01109	0.7
171.04723	0.9
173.02637	6.1
175.02557	100.0
175.04236	26.2
189.02126	6.0
189.05853	0.8
191.03777	5.9
231.06961	3.2
282.93710	0.6
321.06546	72.5
321.10062	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	321.0616
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59697	1.1
51.91407	1.0
57.30777	1.0
59.01401	7.7
68.50690	1.0
69.03453	13.3
70.15853	1.0
71.01382	1.7
71.05039	1.8
72.99304	9.4
85.02970	5.2
97.02950	55.4
113.02473	9.7
115.04015	38.7
115.04768	2.2
119.05010	2.9
131.03554	2.1
133.02972	8.4
135.04555	11.7
141.01955	71.8
145.56378	1.4
157.01414	2.3
159.03001	100.0
163.03957	2.2
175.02493	9.6
177.02010	1.8
179.03499	6.2
289.90051	1.3
321.19281	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	321.0635
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22509	1.0
53.77149	0.9
54.55888	1.0
57.03463	4.8
59.01386	16.7
61.01017	16.9
64.19833	1.2
68.99580	4.2
69.03441	1.2
71.01385	27.4
71.01710	1.2
72.99319	1.9
73.02979	7.3
83.01412	7.7
85.02961	9.9
87.00883	47.4
89.02487	2.4
91.75587	1.3
97.02996	1.9
99.00929	2.2
99.02633	2.6
101.02460	9.7
111.00896	20.4
112.98659	2.0
113.02478	1.2
115.00378	73.5
115.02070	13.2
127.00359	13.3
127.02100	2.1
129.01959	2.3
129.03772	1.4
147.03012	1.5
149.04575	2.9
157.03125	14.5
173.02686	7.1
175.02545	100.0
175.04239	28.9
189.02235	6.4
189.05763	2.2
191.03740	7.0
192.46996	1.3
231.06953	2.8
321.06531	75.0
321.09799	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	321.083
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01890	1.6
57.03458	6.0
59.01395	6.8
61.01016	1.0
69.03453	9.8
71.01377	13.0
73.02946	14.5
74.71103	0.8
83.01409	1.7
85.02956	37.6
87.00876	100.0
95.01400	5.0
97.02949	34.0
99.00864	1.1
103.04014	6.8
105.49756	0.9
111.00916	0.9
113.02457	9.0
115.00379	10.5
122.97112	0.8
129.01947	1.5
152.24852	0.9
157.01396	5.7
175.02492	34.4
215.69214	0.8
217.03526	13.5
229.99641	0.9
303.07138	4.2
306.71640	0.9
321.06317	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	321.0828
Annotation	2-O-L-ramnopyranosyl-4-Deoxy-alpha-L-threo-hex-4-enopyranosiduronoic acid
Peak:m/z	Relative Intensity
52.51405	1.1
53.23954	1.4
55.01897	1.9
57.03463	6.8
59.01387	5.7
60.25048	1.3
62.91702	1.5
69.03467	8.4
71.01374	14.2
72.99317	1.4
73.02953	16.0
76.19389	1.5
83.01393	1.8
85.02952	39.1
87.00874	100.0
92.10767	1.7
95.01411	2.8
95.83602	1.3
96.23367	1.6
96.96009	7.6
97.02943	29.9
103.04022	6.3
105.11560	1.4
113.02466	7.8
115.00364	10.2
121.02734	1.3
130.58263	1.6
157.01413	8.5
164.89526	2.1
175.02496	33.5
217.03551	18.9
218.87354	1.6
303.07437	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	319.0462
Annotation	Hovenitin III
Peak:m/z	Relative Intensity
50.38372	4.7
59.01388	8.1
61.98849	6.4
66.63629	4.6
66.82555	4.7
80.99225	5.7
83.01402	9.9
90.95354	5.3
93.03438	6.6
95.15649	5.9
97.02950	39.9
101.70733	5.5
109.33522	6.2
121.02975	7.8
123.04560	7.4
125.02435	55.8
145.06580	5.9
151.00354	11.2
177.01953	64.2
187.07716	8.0
231.06734	18.5
261.03976	6.7
319.04721	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1038
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	100.0
59.19457	0.4
59.62126	0.5
59.76600	0.4
61.39947	0.5
66.41972	0.4
71.01395	2.3
73.02961	0.8
78.87671	0.4
85.02962	0.7
85.52663	0.4
101.02454	2.1
113.02450	0.9
114.00670	0.5
159.02959	0.6
161.04532	2.1
173.06258	0.5
250.36281	0.6
259.08276	3.0
285.87164	0.5
323.93756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0253
Annotation	Digallate
Peak:m/z	Relative Intensity
54.82943	0.5
57.03464	0.7
59.01382	5.6
69.03467	2.7
71.01376	1.3
72.99281	0.5
73.02949	3.2
77.48794	0.6
77.64952	0.6
81.03445	0.9
84.19837	0.5
85.02957	0.6
85.06603	2.7
87.00902	1.0
92.66292	0.6
97.02961	3.0
101.02445	3.2
103.00378	4.0
109.02964	1.1
113.06090	3.8
115.04005	9.0
125.02441	93.1
127.00391	0.8
131.07147	0.7
133.02881	0.6
145.01443	1.0
149.06105	1.1
159.06572	0.5
160.26929	0.5
163.02507	13.5
169.01431	100.0
175.06068	7.4
177.05573	0.7
179.03456	0.8
182.42015	0.6
239.05661	1.4
246.10417	0.6
281.40430	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0882
Annotation	Unknow
Peak:m/z	Relative Intensity
51.09389	0.3
55.01880	1.0
57.03463	3.1
59.01385	1.9
62.20997	0.3
64.32395	0.4
66.96298	0.3
67.01904	0.7
68.99831	0.4
71.01396	1.8
71.05037	0.4
83.01374	0.5
84.50046	0.4
85.02960	10.8
88.25861	0.4
92.12026	0.4
96.96002	2.2
99.92535	0.4
101.02457	0.6
108.02163	0.5
109.02995	0.5
111.00880	5.7
112.04088	0.9
113.04382	0.4
117.05586	1.0
120.45914	0.4
125.02425	0.4
129.01944	2.6
132.42709	0.4
134.65604	0.4
139.00404	5.3
140.01166	100.0
152.01126	0.4
153.01938	0.6
154.02789	0.5
155.03517	75.2
205.03546	1.5
227.02150	0.4
236.81924	0.4
247.06822	0.5
248.14714	0.4
273.05801	0.4
317.08859	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	317.1034
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
61.63538	0.5
63.43846	0.4
79.78094	0.5
87.00893	6.8
88.49434	0.6
93.03471	13.2
108.02190	8.0
109.03018	0.6
119.05032	100.0
122.03725	2.3
123.04543	3.1
133.02950	9.2
134.03767	4.5
136.01680	3.3
137.02480	5.3
138.03235	2.4
149.02455	1.2
149.06099	7.6
150.03227	7.1
151.04030	6.4
153.05562	0.9
162.17961	0.5
164.01155	2.5
165.01933	0.9
165.05586	17.9
166.64897	0.5
179.03535	2.4
179.79222	0.5
181.05112	0.8
193.05099	4.6
225.05521	0.7
241.05019	0.9
255.10345	7.0
269.04520	7.9
284.06961	0.7
299.09204	2.4
317.10339	27.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.0676
Annotation	Unknow
Peak:m/z	Relative Intensity
56.95847	0.2
60.48354	0.2
65.99845	0.5
85.03773	0.3
95.01418	0.3
111.45731	0.3
123.00900	2.9
124.01670	7.8
153.00674	3.1
154.01483	100.0
155.15739	0.3
276.64398	0.3
316.06802	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	317.0669
Annotation	3,5,7,2'-Tetrahydroxy-5'-methoxyflavanone
Peak:m/z	Relative Intensity
56.98709	0.7
57.03465	16.2
59.01409	1.3
63.02409	4.9
64.34796	0.9
65.00044	0.9
65.00325	6.9
69.03442	1.0
76.83422	0.7
80.02666	0.8
81.03454	0.9
83.01391	8.6
95.01384	9.2
107.01370	7.1
108.02184	1.2
109.02980	0.8
111.00890	3.7
119.05033	1.9
121.03051	0.9
122.03732	10.4
123.00857	6.3
124.01661	21.7
125.02447	100.0
126.03100	0.8
133.02962	5.8
135.04483	1.7
137.02411	1.5
137.06099	4.0
139.00372	1.2
148.01691	1.2
149.02461	4.6
150.03241	3.0
151.00381	18.5
152.01181	30.8
153.01933	4.3
177.02008	1.2
178.99918	11.5
181.05093	1.8
187.04112	1.1
188.04817	1.3
192.04295	10.9
207.06653	9.0
214.06497	1.0
216.04294	3.5
220.03790	1.7
229.08693	1.2
230.05876	3.7
231.06642	5.9
249.07599	1.4
256.03729	1.4
258.05359	4.8
273.07751	8.1
274.04758	3.8
284.03204	1.0
289.07214	50.7
299.05713	1.3
317.03024	1.7
317.06729	47.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1242
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01405	3.8
59.26764	0.7
60.84418	0.7
62.36519	0.8
66.89432	1.0
67.55838	0.9
92.10744	2.3
93.03467	11.6
102.53372	0.8
111.00809	0.9
113.07738	0.8
119.05026	84.6
125.74319	0.9
133.02951	15.4
134.03751	8.6
135.04507	1.5
136.46919	0.9
147.04538	3.8
148.01646	1.1
149.06110	15.7
150.98203	0.9
152.55923	0.9
161.02455	100.0
166.29456	0.8
174.31317	0.9
177.05623	2.2
178.99826	1.4
193.93257	0.9
217.00375	1.3
255.10315	5.2
264.13388	0.9
264.17075	0.9
268.07397	11.7
283.09970	6.3
315.12317	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	316.0675
Annotation	Unknow
Peak:m/z	Relative Intensity
58.52095	0.7
123.00880	3.2
124.01648	7.1
153.00681	1.9
154.01480	100.0
223.69412	0.9
227.36885	1.0
251.15689	1.0
316.06812	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	315.0879
Annotation	4,2',6'-Trihydroxy-3,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
52.43629	0.3
54.83407	0.4
59.01388	3.3
65.27419	0.3
67.69067	0.3
79.65707	0.3
108.02179	5.9
110.00102	1.8
111.00880	7.6
121.02972	1.9
123.00878	4.3
123.04544	3.1
125.02451	1.5
134.03743	100.0
135.00862	0.6
136.01663	1.9
137.99593	1.6
139.00319	2.7
145.02907	1.6
148.16510	0.4
149.06090	73.5
151.00403	0.9
153.01962	6.8
159.04517	5.9
161.06068	2.8
163.00362	2.6
167.04913	0.6
171.04504	0.4
173.06123	0.4
183.04564	0.4
185.06114	3.8
187.04022	1.5
211.03926	0.5
213.05585	1.6
229.05115	4.5
239.03644	0.8
243.06631	0.9
244.07407	2.9
247.23062	0.4
257.04593	7.7
272.06958	1.8
275.15396	0.4
276.06433	0.8
285.04034	5.1
300.03067	0.7
300.06268	3.4
315.05347	0.8
315.08783	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	315.1091
Annotation	Taxicatin
Peak:m/z	Relative Intensity
59.01379	0.5
65.03974	0.3
72.80223	0.3
74.54932	0.3
77.60052	0.3
86.85774	0.3
92.10161	0.4
95.60278	0.4
109.02953	4.2
122.03649	1.2
123.04533	100.0
136.62262	0.4
151.49536	0.4
153.02008	2.3
153.05594	97.7
174.05260	0.4
231.91339	0.4
315.07428	1.2
315.11023	3.1
330.64804	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1219
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69454	0.6
55.92111	0.5
57.03456	1.2
59.01386	29.7
60.99319	1.1
65.00327	1.4
67.01889	0.7
68.99821	1.0
71.01402	3.7
80.15911	0.7
81.03460	0.9
83.01392	13.0
85.02966	1.4
88.98814	4.0
93.03477	5.9
101.02402	1.1
107.01392	3.3
108.02190	1.6
109.02956	5.9
113.02495	0.9
118.98092	0.9
122.03118	0.7
123.00957	1.0
125.02430	10.2
135.35443	0.7
137.02501	0.7
139.03947	0.7
149.02460	0.9
151.00374	21.1
152.01175	1.3
153.00833	4.5
153.01949	100.0
154.02299	1.1
161.04633	1.7
189.10854	0.7
195.03001	1.4
210.32390	0.7
217.30292	0.7
302.02628	0.7
315.07321	6.9
315.11279	1.0
324.23560	0.7
337.39081	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0727
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
57.03478	0.7
59.01395	5.2
63.59838	0.3
65.00346	2.4
67.01902	0.4
68.99833	1.3
71.01400	0.5
76.89614	0.3
78.73969	0.4
81.03463	1.4
83.01395	12.8
84.85228	0.3
85.02966	1.4
88.98845	0.5
90.46547	0.3
93.03452	0.6
99.84959	0.3
102.11823	0.3
106.18285	0.4
107.01382	3.1
109.02960	5.5
111.00938	0.6
121.52545	0.3
125.02464	7.1
137.02434	0.7
149.02467	0.7
151.00388	19.4
152.01117	0.8
153.01956	100.0
167.03325	0.4
177.01959	0.6
195.03008	1.7
227.59396	0.3
261.29654	0.3
298.03043	0.3
315.07336	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	315.0878
Annotation	3,5,7-Trihydroxy-4'-methoxy-6-methylflavanone
Peak:m/z	Relative Intensity
55.01899	0.6
55.44161	0.5
57.16226	0.6
59.01388	11.4
60.01722	0.9
61.98842	3.5
65.00331	3.6
70.14405	0.5
70.22194	0.6
77.03979	12.2
79.01889	35.6
88.40008	0.7
93.03450	1.1
97.02939	7.4
106.04252	4.9
107.04545	1.0
108.02193	9.9
121.02954	40.0
122.03740	8.5
123.04535	4.4
123.33759	0.7
133.02951	13.2
134.03748	64.1
135.04575	6.8
136.01666	2.9
137.02463	3.7
138.03218	1.3
139.03882	0.8
149.01019	0.8
149.02441	3.1
149.06099	34.3
150.02109	1.2
150.03249	15.2
164.01140	0.9
165.01941	58.0
174.03236	1.4
175.04004	2.6
178.02762	10.0
179.03517	3.2
183.02982	3.8
191.03534	5.1
201.01930	1.0
202.99573	0.7
210.01779	10.3
223.02869	6.9
223.07674	3.5
239.07048	1.4
253.08733	7.1
254.09044	8.4
255.09842	30.0
299.05786	0.9
300.06284	1.5
308.11429	0.6
315.08810	100.0
316.09070	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
53.58350	0.2
59.01392	0.4
71.01379	1.1
73.02937	0.4
81.03423	0.7
81.73655	0.3
85.02963	1.3
93.03463	0.3
95.01374	0.3
101.02453	0.3
108.02177	100.0
109.02958	34.7
113.02460	0.5
115.00442	0.3
121.02923	1.1
123.00932	0.4
123.04546	0.6
126.35341	0.3
133.03001	0.4
151.04044	0.5
152.01160	55.2
153.01944	18.1
163.04016	0.6
165.01915	0.6
195.03041	0.4
231.83998	0.3
315.07269	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	315.0724
Annotation	4-(beta-D-glucosyloxy)-3-hydroxy-benzoic acid
Peak:m/z	Relative Intensity
50.31670	0.5
51.15707	0.5
57.79060	0.5
69.48476	0.5
71.01405	0.8
78.67088	0.6
81.03448	0.9
108.02180	100.0
109.02216	0.9
109.02960	24.4
113.02455	0.7
152.01155	50.5
153.01945	16.1
159.65254	0.6
182.99898	0.6
242.88092	0.6
315.07275	53.6
327.18658	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0515
Annotation	(-)-4,9,11,12a-Tetrahydroxyrotenone
Peak:m/z	Relative Intensity
51.36966	0.6
53.16099	0.7
57.02995	0.7
57.03458	4.9
59.01387	6.3
63.02397	9.1
65.00331	7.3
78.16271	0.8
82.34268	0.8
83.01384	8.3
88.58104	0.7
92.10206	1.1
107.01410	7.4
108.02182	1.0
109.02976	0.9
114.40372	0.9
121.02962	1.1
124.01667	3.3
125.02442	19.5
133.02995	1.3
134.03743	4.3
135.04475	1.1
135.72395	0.8
151.00366	6.9
152.01151	0.8
153.01938	1.7
165.01918	3.4
173.06181	1.3
176.04817	2.0
177.05612	1.4
197.06131	1.0
201.05661	0.8
205.05003	1.2
208.43622	0.8
213.05522	1.2
229.05095	1.3
241.05128	9.4
245.58777	0.8
259.06097	1.4
269.04553	3.3
297.04065	14.8
300.02826	1.3
315.05182	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	315.0515
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.72640	0.2
56.51423	0.2
59.01406	0.3
64.32456	0.3
65.00353	0.4
91.01914	0.4
107.01424	1.5
108.02183	2.8
114.64391	0.3
118.17484	0.3
120.02206	0.5
121.32705	0.4
124.01701	0.4
125.43832	0.3
135.00873	1.2
148.01674	5.0
151.00386	1.8
151.10561	0.3
163.00406	1.7
164.01157	1.5
183.04523	0.3
185.24974	0.3
192.00687	0.4
199.04041	1.7
201.01900	0.4
211.04106	0.5
215.03593	1.3
216.04309	0.4
226.02737	2.1
227.03511	4.5
230.78154	0.3
243.02986	17.5
244.03641	0.5
254.02094	2.3
255.03008	34.4
270.11252	0.3
271.02515	73.8
272.03223	2.7
299.01971	1.9
300.02786	100.0
301.03226	1.2
315.05161	40.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2752
Annotation	19-hydroxy-nonadecanoic acid
Peak:m/z	Relative Intensity
51.15242	1.6
56.02073	1.4
59.01402	2.3
77.09990	1.7
78.11258	1.6
81.56152	1.6
140.82547	1.8
146.83125	2.2
157.38545	1.7
164.50934	1.9
214.98799	2.0
265.25323	4.2
283.26468	100.0
313.27563	48.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2751
Annotation	2-Methoxyoctadecanoic acid
Peak:m/z	Relative Intensity
57.03454	15.0
58.93183	0.5
64.50423	0.5
69.03461	4.3
74.99077	0.6
91.02206	3.2
93.00121	1.3
140.20691	0.6
144.07460	0.6
175.60164	0.6
184.00514	0.6
216.35727	0.5
234.37421	0.6
251.23851	1.0
252.76930	0.6
267.26953	65.7
295.26459	2.9
313.27527	100.0
314.28006	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0517
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
56.33092	1.0
59.01390	4.8
63.02411	10.7
65.00349	7.1
76.12702	1.0
83.01380	8.6
95.01399	1.3
100.49985	1.1
103.10716	1.1
107.01408	21.8
108.02220	2.0
119.46668	1.1
120.59579	1.2
121.40996	1.1
124.01614	3.9
136.01756	1.3
148.01692	9.5
149.06087	1.5
149.99614	1.8
151.00386	24.8
163.00343	5.4
164.01187	6.5
169.01448	2.4
174.03122	1.4
199.03963	1.4
214.77327	1.3
227.03482	4.2
232.41466	1.4
243.03027	2.0
255.03044	5.1
271.02579	7.8
272.03488	1.5
283.02567	4.5
300.02808	100.0
315.05200	95.6
315.08282	2.4
325.69089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0412
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
59.01384	8.2
60.12084	0.5
72.99310	13.9
72.99680	0.7
87.00877	25.0
103.00378	5.7
105.01936	0.9
107.05058	1.8
130.99825	1.0
134.03728	9.0
135.04532	100.0
149.00926	88.7
155.90376	0.7
179.03505	62.3
256.38370	0.7
306.94370	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.0934
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01893	2.0
57.03471	1.4
58.00614	1.6
58.34006	0.9
59.01387	100.0
61.61674	0.9
69.99222	0.9
71.01388	35.6
71.21585	0.9
75.76981	0.9
77.46694	1.0
83.01437	1.5
85.02955	9.6
87.00889	1.2
89.02448	39.2
92.10730	2.2
95.01381	2.0
101.02446	21.7
113.02449	16.3
119.03506	17.3
127.72195	1.0
131.03462	1.6
136.62956	1.2
142.98038	1.0
179.05563	1.4
258.69550	1.1
313.09299	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	313.2387
Annotation	Octadecanedioic acid
Peak:m/z	Relative Intensity
50.60226	0.7
51.41830	0.8
56.77307	0.7
59.01390	3.9
60.33438	0.7
66.37349	0.7
75.88071	0.7
79.21584	1.0
91.02214	1.9
116.09074	0.9
134.00160	0.8
135.04553	1.5
149.00952	1.2
151.01323	1.2
251.23845	90.7
252.24130	1.2
269.24814	1.5
295.22809	32.8
309.58716	0.9
313.23907	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06307	0.6
57.03475	1.0
59.01403	1.8
71.01366	1.0
78.54170	0.7
88.22699	0.7
95.05025	0.9
97.44066	0.8
105.03493	4.1
109.06612	1.8
111.08183	5.1
123.04561	1.1
125.09682	0.9
127.11326	1.6
133.02959	15.3
138.55992	0.8
151.07701	0.9
151.11362	1.6
153.12885	8.7
154.99281	0.9
155.10837	1.4
165.12941	0.9
167.10759	1.1
177.01901	5.1
179.14450	3.6
181.12416	5.3
197.11861	6.1
199.13438	3.0
207.13910	4.1
215.12999	1.6
227.13008	1.5
228.13670	1.5
247.20724	7.6
265.21661	0.8
273.18781	3.6
281.21371	1.3
291.19705	53.2
309.20776	100.0
310.20938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2075
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
57.36545	1.0
64.35400	1.3
76.58698	1.0
78.16572	1.2
81.35436	1.3
87.19326	1.1
91.56538	1.1
97.06602	1.6
99.45856	1.3
105.03477	2.5
113.09736	2.3
128.14998	1.4
133.02946	14.3
141.09238	1.5
152.08435	1.3
165.12848	5.4
167.14444	1.8
177.01881	5.8
181.12364	3.0
193.12370	2.3
211.13411	5.6
211.23303	1.2
234.58435	1.3
240.13655	2.3
247.20851	4.3
255.47499	1.2
273.18668	1.9
281.21112	1.8
291.19696	44.8
309.20758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	6,9-Octadecadienedioic acid
Peak:m/z	Relative Intensity
56.39675	2.4
57.03447	3.8
59.01387	5.7
60.65171	2.2
81.03474	4.7
83.01403	12.9
83.05024	3.9
89.43539	2.5
89.52785	2.3
95.05045	14.0
97.06587	5.1
105.03461	33.1
119.65273	2.4
123.04507	5.3
123.08148	3.0
125.09749	18.8
129.09282	2.6
133.02968	95.2
135.08150	3.4
137.69949	3.1
139.11295	20.2
151.04025	3.6
151.07730	2.7
163.11269	11.7
165.12897	19.4
167.10786	4.4
177.01942	33.8
177.12851	10.4
181.12399	4.4
191.10823	3.2
193.15913	4.5
198.66086	3.1
209.11845	71.2
209.15393	3.6
247.20757	22.6
265.21777	2.9
273.18628	3.3
291.19717	100.0
309.17142	13.4
309.20743	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0413
Annotation	Unknow
Peak:m/z	Relative Intensity
56.45514	0.5
57.33654	0.7
58.66643	0.6
58.88868	0.5
59.01387	16.9
60.47440	0.7
65.92162	0.7
72.99310	14.3
87.00886	32.1
99.49431	0.7
103.00397	6.5
103.89895	0.7
105.01926	0.9
107.05046	2.6
118.62428	0.7
123.99027	0.8
130.99854	1.0
134.03772	9.5
135.04533	95.6
149.00931	100.0
170.99579	0.7
179.03514	54.5
203.52773	0.7
221.02866	0.6
239.96973	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.0414
Annotation	trans-caftaric acid
Peak:m/z	Relative Intensity
50.85338	0.6
59.01388	35.8
64.34801	0.8
72.99309	13.2
87.00889	26.1
90.92894	0.8
103.00370	5.5
105.01969	1.1
107.05056	1.8
117.03479	1.2
124.86511	0.7
130.99849	1.4
134.03784	10.4
135.04532	100.0
149.00931	96.3
149.02176	1.2
164.78136	0.8
169.34610	0.8
179.03516	61.5
248.23624	0.8
285.58694	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.0619
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46066	0.7
55.19880	0.6
57.03453	8.8
59.01385	6.5
70.19923	0.6
71.94750	0.8
72.99306	17.9
73.02961	2.8
73.22458	0.6
74.17451	0.6
81.62070	0.6
84.45683	0.6
85.02955	39.5
92.10765	1.7
95.05000	0.7
95.90294	0.6
101.02444	4.8
103.04032	1.4
105.03443	4.9
129.01056	1.2
129.01949	20.2
133.02957	19.1
135.04529	25.2
147.03009	100.0
177.01970	5.1
179.03528	12.5
208.10872	0.8
246.47824	0.9
248.23015	0.7
269.93277	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
51.99581	0.4
53.75622	0.4
56.76191	0.5
59.01403	0.6
64.97051	0.5
66.62664	0.5
77.04017	0.6
79.01634	0.5
79.95744	10.4
80.96577	0.7
90.84613	0.6
95.05033	0.9
95.95255	2.3
96.96014	100.0
105.02883	0.5
105.03444	4.1
122.97621	5.0
133.02974	16.5
151.04128	0.6
163.70624	0.6
177.01935	5.5
187.13570	0.5
209.15430	0.6
309.17487	97.2
310.17844	0.7
318.72601	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2076
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
55.01899	1.0
57.03465	2.2
71.05027	1.1
77.03996	1.1
85.74189	1.0
90.48307	1.1
95.01399	2.8
95.05024	4.5
97.06580	1.1
99.00892	7.4
105.03473	6.4
113.50902	1.1
123.04527	5.3
125.09741	1.7
133.02953	25.3
151.04028	25.7
151.07651	29.1
152.08438	46.4
162.10483	1.2
163.11295	6.9
165.09250	1.2
165.12825	8.0
167.18028	1.1
177.01877	8.4
179.14377	1.9
181.12392	2.2
184.07402	7.7
190.10004	2.1
193.08713	4.4
193.12292	1.3
193.16026	1.3
197.11896	1.3
208.11076	6.9
209.12033	1.1
209.15517	45.6
223.13380	2.0
247.17035	4.3
247.20613	10.5
252.10013	9.2
265.18073	11.6
273.18509	1.7
291.16177	5.0
291.19690	100.0
298.07065	1.5
309.17096	57.9
309.20767	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03467	8.9
58.72182	4.6
59.01382	8.6
61.98852	7.7
71.01404	8.8
97.06618	22.9
111.08175	24.8
125.09676	6.7
133.51512	6.8
149.09772	6.4
151.11336	28.1
163.11415	7.0
165.12860	39.3
181.12387	38.3
191.10838	10.8
209.11905	100.0
245.19127	27.3
263.20209	8.5
289.18121	31.9
307.19125	45.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2282
Annotation	Isoobtusilactone A
Peak:m/z	Relative Intensity
53.06844	0.3
59.01386	0.4
64.83020	0.3
92.10160	1.0
124.12694	0.3
133.54269	0.3
192.46341	0.3
203.33835	0.3
213.14990	0.4
215.56923	0.3
227.49878	0.3
243.74507	0.4
261.56357	0.4
268.48251	0.3
307.22849	100.0
308.23111	0.7
319.10620	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	92.0
59.01371	15.4
69.83504	1.5
71.01385	24.0
73.02966	9.6
75.43241	1.3
75.69471	1.2
77.04002	3.0
81.07278	1.4
83.01382	11.2
85.02973	1.9
87.00854	1.4
89.03974	5.6
95.05027	3.0
101.02433	17.3
103.00396	13.5
105.03465	13.2
108.51427	1.3
115.00378	8.1
117.01918	1.5
117.03474	10.8
119.03578	1.7
119.05035	60.1
127.00388	18.5
129.01958	2.5
133.01456	2.3
133.02969	65.3
134.03757	100.0
135.04411	1.5
145.01443	18.3
147.03029	8.9
149.06097	9.1
163.02496	76.9
163.04022	39.5
177.01926	20.5
178.02771	6.2
193.03302	2.4
193.05084	66.0
213.25655	1.4
309.06253	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	309.062
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51712	0.5
56.82521	0.5
57.03455	8.2
67.58160	0.5
72.99310	16.9
73.02954	2.6
75.00134	0.5
85.02950	39.5
95.04990	0.8
101.02449	5.6
103.04001	2.4
105.03474	4.1
107.05003	1.2
119.05047	1.2
129.01936	18.2
133.02946	18.1
134.03761	6.6
135.04532	48.0
147.03011	100.0
163.02478	0.8
177.01906	6.3
179.03510	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1555
Annotation	Cinnamodial
Peak:m/z	Relative Intensity
71.05012	0.8
71.86226	0.7
73.77362	0.7
83.81432	0.7
91.05579	0.8
104.15264	0.7
111.04538	1.6
113.06091	3.1
121.02954	86.3
122.03745	12.2
123.04545	1.3
133.02963	1.5
134.03708	0.9
135.04532	26.7
137.06035	1.0
147.04547	2.8
148.05255	1.7
149.06087	0.9
150.06891	6.3
159.04544	3.8
160.05322	9.0
162.03255	1.2
163.07614	5.2
165.09218	3.8
168.04282	3.1
171.10300	1.6
175.07671	18.9
192.04245	1.1
193.08751	0.9
241.12505	1.2
243.13943	4.5
261.14999	14.4
263.46857	0.8
264.13818	5.9
279.16064	59.6
307.15570	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38257	2.3
56.53891	2.4
57.03443	9.6
59.01390	7.0
60.40355	2.5
66.36057	2.6
67.01891	3.1
69.03451	4.7
76.79444	2.7
81.03481	7.4
83.01396	19.6
83.05035	6.6
93.03462	3.4
95.05039	6.3
97.02945	7.0
97.06590	13.4
109.51610	3.1
119.08543	3.5
123.04527	17.2
123.08195	4.7
125.09729	35.7
135.08148	6.2
137.09747	26.2
141.12862	5.5
149.06114	4.2
163.07655	3.1
163.11267	27.3
167.10770	4.4
177.12894	4.0
181.12335	4.4
185.11800	26.5
191.10793	15.2
191.14430	23.2
205.37799	3.0
207.10321	28.0
209.11890	83.7
225.11292	16.2
233.15454	3.5
245.19119	65.0
271.17065	5.3
289.18146	100.0
307.19141	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	307.192
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
50.99798	5.7
56.94977	6.1
57.03461	9.2
59.01395	7.5
60.78627	6.7
71.01408	14.4
77.33219	5.6
80.22258	6.6
83.05064	12.3
92.10178	14.1
97.06599	37.2
107.05113	7.3
111.08148	10.1
151.11267	38.0
155.10722	9.3
163.11308	11.3
165.12848	29.7
179.10823	8.2
181.12383	58.4
191.10803	12.6
194.47856	7.9
209.11882	100.0
245.19185	37.2
271.22949	30.5
289.18146	34.5
307.19275	57.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48874	3.3
57.03460	8.1
59.01397	20.0
59.77687	3.6
71.01398	3.6
75.03151	3.2
80.02708	4.5
80.35963	3.3
81.03489	8.1
83.01411	17.5
83.05061	5.6
95.05053	6.0
97.02948	5.2
97.06596	21.8
100.69781	3.5
111.08187	7.1
123.04528	16.9
123.08154	5.7
125.09733	39.9
135.08163	5.6
137.09738	18.4
142.02815	4.2
149.06116	7.9
151.11263	5.9
155.10814	4.7
163.11339	32.6
165.12836	8.0
179.10760	7.4
181.12347	16.5
182.84427	3.8
185.11861	16.7
191.10808	6.8
191.14452	20.2
207.10336	14.9
209.11848	80.4
211.13495	6.4
245.19135	60.1
271.17041	7.3
271.34570	3.6
289.18149	100.0
296.84500	4.6
307.19244	75.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.1229
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67268	1.1
62.34638	1.0
74.99100	7.1
91.02232	2.0
93.00151	4.9
107.98024	1.4
130.83965	1.6
149.00963	2.5
159.08493	10.7
161.06410	2.3
166.77754	1.3
196.87059	1.3
206.99777	1.6
209.01245	2.5
223.02884	51.7
224.02837	1.7
262.36566	1.6
289.07629	1.9
291.09161	100.0
292.09180	1.5
307.12247	2.8
319.61136	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
58.15168	1.7
58.22614	1.9
58.74238	1.6
59.01391	10.3
65.41682	1.9
69.03460	9.1
71.05033	8.6
72.99306	10.0
73.65967	2.0
97.02943	58.0
105.08103	2.1
109.79748	2.3
113.02477	2.9
115.04012	33.1
119.05022	17.8
141.01949	73.2
159.03000	100.0
159.84789	2.8
163.04024	15.8
185.80849	2.1
199.35913	2.1
209.71457	2.3
297.39093	2.3
315.87457	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	305.0781
Annotation	Unknow
Peak:m/z	Relative Intensity
57.99760	2.1
58.08332	2.5
59.01398	17.2
65.49316	2.2
65.87529	2.1
66.40137	2.3
71.01378	28.7
72.55919	2.4
74.02482	3.9
74.72749	2.1
86.27736	2.4
88.04043	100.0
88.04560	4.5
96.96014	5.7
101.02466	2.9
113.02516	3.3
115.00353	39.8
116.05083	13.1
116.56007	2.4
119.09872	2.4
122.82627	2.3
125.02406	2.9
125.63178	2.3
128.05067	12.4
131.03798	2.7
132.03026	50.0
132.04578	10.0
139.82657	2.9
144.04573	82.0
146.06136	94.3
162.05611	18.1
171.05611	5.0
172.04065	28.6
189.06744	63.4
190.05125	13.8
196.78139	2.7
261.08884	26.8
292.51144	2.4
294.96768	3.0
305.07849	75.4
305.11057	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.1761
Annotation	Compactin diol lactone
Peak:m/z	Relative Intensity
59.01382	68.2
66.67185	5.5
71.05026	76.5
73.68665	6.0
83.67555	5.9
94.91310	5.5
95.05029	22.1
108.51941	5.8
109.06585	26.4
111.04504	6.7
135.08116	7.9
141.01706	22.5
147.08264	6.9
165.09265	9.3
189.12881	25.4
204.92639	5.7
205.16043	8.9
243.17574	8.3
249.14970	11.3
287.16513	100.0
305.17590	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.094
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78911	1.4
53.82544	1.5
57.91436	1.6
59.01407	2.0
63.79599	1.7
72.00936	1.6
72.04546	28.4
87.05652	10.2
88.04043	18.6
91.05540	14.8
97.04092	3.6
99.05672	2.0
100.04050	100.0
105.89126	1.8
109.79008	1.8
115.05136	62.3
118.06642	1.9
143.03554	12.4
144.03036	31.1
147.04549	2.4
161.04590	7.1
173.07256	1.9
176.07153	14.9
189.06702	2.6
201.10362	7.6
217.09773	2.2
219.11453	1.8
231.02986	2.6
235.10931	38.2
245.09279	18.1
263.10388	13.2
289.08414	6.8
307.09378	3.3
325.21756	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	307.1225
Annotation	Unknow
Peak:m/z	Relative Intensity
74.58689	0.6
74.99058	4.7
91.02225	4.3
93.00120	4.8
114.39269	0.7
149.00948	3.8
159.08476	7.3
161.06427	3.1
206.99777	1.3
209.01262	3.3
223.02852	51.3
241.03752	0.8
245.19157	0.9
289.07547	1.5
289.18250	2.6
291.09140	100.0
292.09296	0.8
307.12189	1.2
307.19174	4.9
309.10147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01897	1.3
57.03460	5.6
59.01390	0.7
60.57304	0.7
61.01029	7.9
68.99590	1.2
69.47711	0.6
71.01385	23.4
71.01772	1.0
72.99332	2.8
73.02965	4.0
78.95891	1.0
83.01398	11.6
85.02969	0.9
87.00908	1.6
89.92655	0.7
99.00320	0.7
99.00891	6.0
99.02592	1.6
101.02448	7.9
111.00916	1.7
112.98573	1.2
113.02459	0.8
115.00382	100.0
115.02075	14.2
116.00766	0.8
117.03689	1.3
122.03484	0.7
127.00384	33.4
127.02103	3.7
133.01437	22.9
133.05096	3.2
135.60158	0.7
145.01425	3.9
145.03172	2.9
157.03119	1.1
158.01404	0.9
159.01076	44.6
159.04686	10.9
171.00859	1.3
171.04700	1.2
173.02710	0.9
189.02139	11.1
189.05721	1.1
192.41306	0.7
196.14905	0.7
215.03706	3.2
246.31789	0.8
246.52480	0.7
305.03268	80.9
305.06924	35.2
305.10489	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.013
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62963	0.3
51.41858	0.3
55.65849	0.4
65.67902	0.3
68.99583	100.0
71.01395	0.5
71.26647	0.4
74.32476	0.4
79.18584	0.4
83.01445	0.5
85.02953	0.6
92.10768	0.5
96.96013	1.9
97.13577	0.4
100.66331	0.5
112.98578	94.0
115.00378	4.1
127.00395	0.6
133.01421	0.4
138.03145	0.4
151.38039	0.4
159.01067	2.0
171.03090	0.4
190.34686	0.4
218.04921	0.5
305.03253	4.2
329.34534	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2288
Annotation	Samandarine
Peak:m/z	Relative Intensity
58.03021	0.7
59.01397	4.2
59.11037	0.8
68.73853	0.8
71.08142	0.6
71.21483	0.6
72.48058	0.7
86.06127	42.3
118.88521	0.8
141.01759	0.7
259.77664	0.7
262.21826	1.5
304.22879	100.0
305.23126	1.0
322.37802	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.192
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83126	2.0
58.02983	80.4
74.07927	2.1
82.14568	2.4
82.73549	2.5
84.78762	2.0
86.67297	2.2
86.67850	2.6
86.99477	2.2
98.55925	2.1
104.55970	2.3
118.28202	2.2
126.67883	2.5
163.20021	2.7
168.13947	100.0
186.38805	2.2
203.21138	2.4
212.13008	2.8
239.65697	2.2
241.32956	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	304.1041
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58308	0.5
53.40948	0.5
55.01880	1.0
57.03449	1.0
59.01385	11.7
68.60558	0.6
71.01375	12.0
72.00924	3.6
72.99306	0.7
73.02947	5.5
83.01401	2.9
85.02942	6.9
85.80597	0.6
87.00871	1.2
87.92546	4.5
89.02435	1.4
95.01378	1.3
96.96018	1.0
99.00848	1.0
101.02446	7.5
102.01942	0.6
103.92030	6.2
104.92839	0.9
105.93700	0.7
113.02448	2.7
113.99160	0.7
114.02459	2.7
114.05609	7.0
115.00378	1.4
119.05029	3.4
123.94631	1.3
124.04052	1.2
125.02422	0.8
126.01986	15.4
126.05569	1.1
133.01425	0.7
140.03534	6.4
142.05104	100.0
145.96741	3.0
158.05084	0.7
161.96216	3.1
199.94119	1.3
224.30569	0.7
260.09186	1.1
304.10443	78.5
305.10608	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.104
Annotation	Passiguatemalin
Peak:m/z	Relative Intensity
55.01881	1.0
59.01381	11.2
69.54295	0.6
71.01377	12.5
71.05048	0.8
72.00909	4.8
73.02968	3.0
83.01414	2.7
84.00907	1.4
85.02951	6.2
87.00874	1.0
87.92588	0.7
89.02473	0.8
98.05171	0.6
99.00893	0.9
101.02436	4.8
103.92046	0.8
113.02467	3.5
114.05596	6.5
124.04049	0.8
126.01987	12.1
126.05661	1.0
132.28810	0.8
140.03568	4.8
142.05099	100.0
145.96721	1.2
154.05138	1.0
154.92407	0.7
231.09399	0.8
262.63062	0.7
265.45911	0.6
304.10422	76.2
305.10577	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1817
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45488	0.2
53.05216	0.2
56.20650	0.2
59.01387	100.0
64.09998	0.2
91.37391	0.2
92.10769	0.5
92.66209	0.2
120.99648	0.3
237.46298	0.2
281.92996	0.2
284.04648	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2331
Annotation	Arachidonic Acid (peroxide free)
Peak:m/z	Relative Intensity
51.35886	0.4
56.78398	0.3
77.67356	0.4
109.43538	0.4
146.94661	0.4
155.39262	0.4
164.96233	0.4
303.23334	100.0
304.23746	1.9
321.85150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.0013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36835	0.7
59.01383	68.8
60.01719	9.6
60.80289	0.7
61.98832	100.0
71.28719	0.8
74.03785	0.8
90.41403	0.9
101.61430	0.8
103.32205	1.0
103.42540	0.8
105.22467	1.1
117.00458	2.0
117.02270	1.9
118.00544	4.5
119.00185	5.6
159.01491	11.0
159.22552	1.0
160.01631	22.5
161.01199	25.7
161.97768	1.4
161.98982	19.7
162.01636	5.9
162.96576	0.9
201.02609	1.0
202.02684	5.4
203.02393	3.8
204.00032	3.5
204.02547	0.9
223.76154	0.8
262.01794	0.9
291.98590	0.9
303.99472	10.7
304.03012	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1815
Annotation	Unknow
Peak:m/z	Relative Intensity
53.71438	0.3
59.01383	100.0
59.28389	0.4
61.98837	0.9
62.67765	0.4
72.96923	0.4
85.02911	0.5
113.15179	0.4
116.92975	0.5
137.02478	0.6
160.30090	0.5
297.28638	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1241
Annotation	Avicenol A
Peak:m/z	Relative Intensity
59.01387	22.6
72.68222	1.3
78.84094	1.2
79.65723	1.2
79.75005	1.3
81.03471	2.8
85.56074	1.2
93.03455	28.1
95.01855	1.4
106.04266	6.2
107.05049	28.1
108.02190	6.1
119.05006	10.9
121.02964	17.7
122.03767	3.1
123.04537	2.8
124.57729	1.4
125.02439	8.8
129.65732	1.2
133.03029	2.0
134.03749	65.7
135.04533	16.2
137.02406	1.5
146.01567	1.6
147.04453	2.1
148.01669	6.2
149.02460	33.8
151.03986	2.9
163.04004	12.9
164.04816	32.0
165.01996	1.8
173.94659	1.4
177.01950	2.9
179.03493	2.0
180.00606	6.9
181.05058	6.2
215.11896	12.9
259.10828	6.4
285.11389	12.4
303.12430	100.0
303.21774	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1241
Annotation	Virolanol C
Peak:m/z	Relative Intensity
53.94280	1.0
59.01396	6.1
64.00040	1.1
68.52862	1.2
73.02950	20.4
80.02680	2.0
91.05529	2.4
93.03465	16.1
106.04253	2.0
108.02183	50.1
119.05030	49.5
119.95958	1.5
121.02979	19.5
121.06606	11.0
122.03744	42.4
123.04526	33.7
123.05360	2.3
125.06145	1.5
133.02942	1.7
134.03761	5.4
135.04529	62.3
136.05327	5.4
137.06052	5.4
144.30363	1.3
147.04568	1.7
148.01680	1.4
149.06090	7.1
150.03238	5.4
151.00551	1.3
151.04030	10.1
151.07678	5.4
163.03995	2.0
165.05612	7.7
177.05634	2.9
179.07150	11.0
181.05081	8.0
200.68706	1.3
215.12083	2.0
257.09125	1.8
257.11877	52.7
285.11368	21.2
303.12430	100.0
304.12845	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	303.1089
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	1.9
57.03463	6.1
58.00612	2.0
58.66848	1.4
59.01387	86.2
65.02001	1.5
69.03465	2.1
71.01389	28.6
71.01711	1.5
72.99311	39.7
74.45075	1.2
75.00867	19.0
79.05565	6.4
83.01407	2.4
87.00896	2.2
89.02451	41.6
93.03465	3.3
95.05038	2.1
97.06593	27.8
99.00880	12.6
105.07141	2.0
106.04230	2.3
107.05061	7.1
108.02216	3.3
109.06631	7.5
111.00843	1.9
111.08172	19.4
112.98823	13.7
117.01955	24.9
120.05810	3.3
121.02979	3.1
121.06641	15.3
123.04530	2.9
123.08196	9.1
124.01707	6.3
124.98814	8.9
125.02470	21.4
125.06107	12.8
129.63350	1.6
131.04997	2.5
133.06653	2.3
134.03763	2.3
135.03012	9.7
135.04486	5.9
135.08203	5.6
137.02451	3.4
137.06068	2.4
139.07680	16.9
140.98236	1.6
142.99873	100.0
149.06107	28.6
150.03235	1.9
151.00412	2.8
151.03954	2.1
151.07686	1.9
152.01132	1.9
153.05598	19.2
165.05559	2.6
166.06352	6.8
167.07155	23.9
173.00940	13.7
174.01714	19.1
175.04002	2.9
177.02008	1.9
178.99846	2.4
179.07227	1.8
181.08707	11.9
183.06665	1.8
193.05083	7.3
209.08144	2.0
213.07750	3.1
225.07689	27.8
285.04166	11.2
303.05429	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72446	0.6
57.03459	19.9
59.01395	3.4
60.32330	0.6
63.02402	1.0
65.00335	7.3
72.08288	0.6
79.62941	0.6
81.03487	1.3
83.01395	10.2
93.03465	1.4
107.01398	4.9
108.02181	0.6
109.02982	5.2
111.00937	1.2
121.02992	3.2
123.04543	12.2
124.01717	5.4
125.02460	100.0
126.02795	0.9
137.02478	2.8
139.00409	0.8
139.04030	3.9
143.05022	1.2
145.02954	0.7
146.03772	1.3
147.04605	1.4
149.02458	6.2
150.03271	8.6
151.00410	14.4
151.04033	11.6
152.01189	9.5
153.01942	12.6
159.04575	1.4
160.17365	0.7
161.02420	0.8
161.06070	1.0
165.05611	0.9
169.14732	0.7
169.80002	0.6
171.04543	2.8
173.06110	3.0
174.03249	5.1
175.04027	16.4
177.01949	15.3
178.99907	7.5
181.01402	1.3
187.04059	1.6
187.07706	1.1
188.04819	3.5
189.05606	6.4
193.05090	3.4
199.04068	8.8
201.01949	1.5
201.05582	1.6
205.08783	0.7
212.04828	0.9
213.05550	1.4
216.04265	1.1
216.07886	1.5
217.05096	10.3
217.08739	3.0
230.05937	1.1
231.06691	1.2
241.05084	5.6
257.04776	1.3
257.51855	0.9
259.06100	3.8
275.05624	5.6
285.04108	55.1
303.05133	6.9
303.08585	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	303.0878
Annotation	Symplocosidin
Peak:m/z	Relative Intensity
57.03471	1.6
57.83874	1.1
59.01394	9.0
60.37637	1.1
64.75182	1.2
65.03970	5.9
69.03484	5.0
71.05025	1.3
72.48873	1.4
81.03488	1.5
83.01393	19.1
87.00880	9.7
91.05544	3.2
93.03444	17.1
95.05061	3.1
97.02942	22.3
99.25037	1.3
107.05057	11.4
108.02194	5.1
109.02972	18.0
119.05033	54.7
120.84937	1.2
121.02963	36.5
122.03717	11.3
123.04507	2.6
123.60816	1.2
124.01729	1.3
125.02463	8.7
125.07185	1.5
130.52856	1.2
135.03485	1.8
135.04529	57.6
137.02455	100.0
138.03197	3.3
139.04027	2.9
143.17703	1.5
145.01445	1.6
145.02853	1.8
147.04521	2.6
149.02524	2.7
150.03224	14.9
151.04019	23.4
159.04517	1.5
160.05305	1.7
161.02460	2.8
163.04089	2.4
165.01926	5.3
165.05560	8.7
166.02734	2.5
179.03497	2.5
193.05049	7.1
201.05731	2.3
202.06386	2.5
204.04297	2.8
217.08751	1.4
219.06601	4.9
220.07425	8.3
225.05479	1.6
226.06580	1.7
235.09752	5.4
241.05016	2.8
241.08755	9.2
244.07391	9.8
257.08209	1.7
259.09714	5.6
261.07544	1.5
269.04575	2.5
270.05399	5.4
285.07730	9.9
303.08792	72.6
316.99677	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	301.1662
Annotation	Unknow
Peak:m/z	Relative Intensity
53.36812	0.7
70.80927	1.0
72.71458	0.8
83.23321	0.8
108.28978	1.0
129.23390	1.0
134.99419	8.7
136.97296	3.7
155.26517	0.9
161.06401	8.6
203.05750	3.5
217.07236	100.0
243.38403	0.9
285.13495	46.3
301.16638	88.7
302.16907	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2174
Annotation	Neoabietic acid
Peak:m/z	Relative Intensity
54.83000	1.4
76.57958	1.1
77.39541	1.0
78.80261	1.1
82.64573	1.1
84.06593	1.1
94.95063	1.3
141.14325	1.4
161.03020	1.3
165.95535	1.2
173.36166	1.3
192.14557	1.3
263.90036	1.3
271.41907	1.4
301.21774	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	302.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
60.19018	0.5
63.02403	10.7
64.02734	4.4
65.00330	14.8
66.00663	5.1
73.19234	0.5
80.02663	1.3
81.03024	0.9
83.01389	10.3
84.01733	4.3
92.10159	1.0
107.01389	23.0
108.01695	8.3
108.02213	8.9
109.02501	9.3
123.00847	0.8
123.04514	1.3
124.04821	2.3
134.03745	31.8
135.04080	30.0
136.01685	7.0
136.04854	0.6
137.01970	6.1
149.06062	12.9
150.06424	17.3
151.00383	37.2
152.00713	27.3
164.01176	9.7
165.01503	11.4
166.02252	1.3
169.01411	2.4
175.03618	0.9
177.01953	3.3
178.02290	4.7
196.00179	3.8
197.00462	5.5
200.04434	0.7
202.02318	1.0
231.44521	0.6
243.06178	0.7
251.77391	0.7
286.04419	1.2
287.04807	3.0
302.07565	100.0
303.07736	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64475	0.4
59.01387	100.0
63.02415	2.8
65.00334	2.7
72.86707	0.5
73.02948	11.3
80.02719	0.6
82.74893	0.5
83.01397	1.2
88.85203	0.5
93.03475	3.2
106.86149	0.6
107.01397	5.1
108.02192	9.3
109.02966	0.7
119.05044	1.0
121.02968	2.8
121.06573	0.9
123.04537	5.0
125.02476	0.6
134.03745	0.7
136.01654	1.0
136.07678	2.2
137.02461	1.0
148.92786	0.5
149.00987	0.6
149.02515	1.4
151.00397	9.2
151.04033	6.3
161.02580	1.2
162.03291	2.2
162.22607	0.5
164.01157	0.6
165.01935	0.9
165.05609	3.7
171.80194	0.7
177.05589	0.8
178.99908	1.1
179.07109	1.2
189.12814	0.6
193.05098	1.1
195.06641	11.9
207.06645	0.8
207.13922	7.1
209.11833	0.8
225.14999	10.6
227.03474	1.2
227.12927	20.9
229.05054	2.1
251.12953	2.5
255.03062	9.9
257.04510	4.1
257.12943	2.6
269.13968	1.0
273.04181	0.7
283.02557	7.7
283.15558	10.5
284.03177	0.9
301.00113	1.0
301.03601	15.4
301.11108	7.5
301.16638	25.5
301.20029	1.9
302.04102	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1083
Annotation	Notholaenic acid
Peak:m/z	Relative Intensity
57.89878	0.9
59.01402	1.6
65.94884	0.9
91.05532	2.3
93.03448	13.1
94.13251	1.1
97.54197	1.0
106.04282	2.5
107.05028	2.2
118.18253	1.1
119.05029	36.2
121.02952	20.5
121.06602	9.4
122.03744	34.4
123.04531	2.6
126.89143	1.0
134.03740	1.5
135.04529	59.7
136.05313	1.3
149.06090	1.2
158.71671	1.1
183.13951	6.1
190.06412	1.2
220.07518	1.0
241.08789	9.2
257.11865	100.0
258.12091	1.1
300.99979	1.5
301.10907	19.0
318.92056	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1085
Annotation	Odoratol
Peak:m/z	Relative Intensity
59.01383	11.5
77.87531	1.2
80.02699	4.6
93.03452	30.5
93.03998	1.3
98.51641	1.1
98.75718	1.0
107.01426	5.0
108.02186	85.8
115.39064	1.2
119.05022	8.1
121.02981	4.4
123.04539	42.2
134.03751	7.2
136.01683	11.3
136.05411	1.4
137.02435	7.2
149.06085	8.6
150.03265	8.6
151.00374	2.7
151.04028	43.0
161.02507	18.1
162.03233	19.9
164.04839	1.6
165.01936	17.3
165.05560	26.3
177.05576	12.3
178.99794	1.4
179.03537	1.6
179.07184	11.2
180.04288	1.7
193.05083	15.8
195.06648	100.0
207.06628	5.8
301.03491	5.0
301.07407	2.6
301.10852	46.5
301.20303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	6-Hydroxy-2,3,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
51.76441	1.0
59.01381	20.0
83.20574	1.1
93.49863	1.2
97.02980	1.2
99.11332	1.2
121.02987	1.2
128.58377	1.2
143.05040	2.1
149.00897	7.5
151.00339	2.8
154.95985	1.2
159.47484	1.2
171.04613	1.7
185.02487	4.6
187.03964	2.4
199.04010	1.9
200.01161	18.1
201.01962	4.7
213.01924	1.5
213.05566	6.6
215.03545	22.1
228.00578	8.9
241.05215	1.4
243.02995	95.9
245.04500	1.3
257.04663	6.8
258.05292	28.1
271.02597	4.8
273.04712	1.4
273.07700	12.0
286.04858	1.4
301.00095	2.5
301.07217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0933
Annotation	Isotachioside
Peak:m/z	Relative Intensity
52.20717	0.5
54.82617	0.3
59.01392	0.6
64.90136	0.4
71.01387	1.5
86.20374	0.4
95.01375	5.7
101.02447	0.9
106.20097	0.4
108.02204	0.4
113.02486	0.7
121.02956	1.0
123.00887	100.0
124.01677	4.5
125.02467	0.5
134.79839	0.4
137.02498	1.8
138.03238	46.8
139.04042	7.3
145.75909	0.4
149.02489	0.8
151.04048	0.5
161.04573	1.7
166.02716	0.9
178.02776	1.0
181.05049	3.6
193.05122	0.9
217.45505	0.4
301.09351	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	301.1083
Annotation	Afzelechin 5,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.60619	0.9
60.48326	1.0
61.69654	1.0
81.29860	1.3
88.54167	1.2
108.02184	29.7
114.39848	1.3
121.02950	1.7
123.04553	1.7
125.02426	1.1
128.62361	1.2
134.03722	21.9
136.01666	53.8
149.02480	2.1
149.06087	11.2
150.03198	8.1
151.04016	100.0
165.05573	24.8
170.07492	1.1
280.38733	1.1
281.11450	1.3
301.10797	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	301.0356
Annotation	Quercetin
Peak:m/z	Relative Intensity
54.34891	0.5
59.01390	2.8
63.02399	12.3
65.00325	20.0
66.94467	0.6
70.91804	0.5
75.43281	0.5
76.88525	0.6
83.01389	13.6
93.03444	7.6
95.01414	1.0
103.34263	0.7
107.01392	35.3
109.02972	3.3
109.95645	0.6
112.05034	0.6
117.03468	0.6
121.02955	29.8
124.01617	1.1
139.04056	2.9
149.02463	5.4
151.00377	88.2
159.04529	1.4
161.02415	0.7
163.04053	0.8
164.01175	3.6
165.02049	0.6
169.01404	4.6
169.02728	0.7
178.99867	22.1
185.06068	0.8
186.42918	0.6
187.03935	1.4
193.01445	1.1
201.05634	1.2
202.74428	0.6
205.05077	0.6
211.03955	1.3
227.03613	1.0
229.05075	3.1
245.04547	2.4
255.02931	1.0
257.04605	2.2
273.04013	3.7
284.28177	0.6
301.03568	100.0
301.20380	0.8
302.04050	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47822	1.0
53.15833	0.9
62.62256	1.1
63.02405	11.1
65.00333	21.5
80.02686	1.6
83.01402	13.9
102.92776	1.4
107.01395	36.7
108.02188	21.1
123.04523	2.5
134.03749	56.2
136.01628	12.6
146.91502	1.2
149.06102	30.7
151.00391	66.1
164.01196	19.4
165.01913	5.0
169.01456	2.5
177.01970	8.6
196.00171	6.1
201.01932	2.8
285.04071	5.0
286.04880	5.3
301.07224	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.072
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51869	3.4
59.01410	7.1
59.79012	3.8
63.06981	3.9
78.31602	4.0
79.01926	9.2
83.01410	4.5
97.02406	4.4
107.14435	4.6
108.97229	4.2
117.82007	4.8
121.02925	5.5
127.71534	4.1
127.73420	4.7
135.04510	72.0
149.00981	8.0
165.01958	34.5
165.78766	4.6
173.02470	57.9
186.46228	4.4
187.03979	10.2
188.04826	23.6
199.04060	9.9
201.02100	7.1
213.05586	6.5
215.03596	19.6
216.04323	100.0
227.03532	8.5
231.06662	76.1
242.05922	19.2
243.03030	18.5
249.60709	5.2
255.06528	6.0
257.04880	6.2
257.08356	9.2
271.02448	24.3
273.07751	7.3
286.04770	20.0
300.99884	10.1
301.07166	95.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0356
Annotation	6-Hydroxykaempferol
Peak:m/z	Relative Intensity
54.98099	1.2
57.03460	1.7
59.01389	1.4
59.19919	1.6
63.02402	15.6
63.97658	1.2
64.59833	1.2
65.00330	29.5
69.24023	1.4
83.01398	26.0
87.02708	1.5
91.56271	1.5
92.10075	3.2
93.03462	64.9
95.01388	5.9
104.60628	1.5
107.01396	48.4
109.03020	1.8
117.03447	11.1
117.28210	1.4
119.04985	1.6
124.01653	14.8
125.02460	17.4
134.03778	2.8
135.00885	3.3
135.04520	16.3
137.02499	3.4
143.05093	2.0
145.03009	2.7
149.00922	7.9
151.00383	100.0
151.04103	1.7
152.01173	48.5
153.01947	13.3
157.87054	1.7
159.04515	8.8
161.02518	12.5
161.06175	2.5
163.00400	15.0
169.01427	7.2
177.05573	2.5
178.99861	33.1
185.06184	2.0
187.04050	3.3
201.05562	8.7
206.99405	29.6
208.00146	21.9
213.05650	2.5
215.03474	5.7
229.05125	6.6
245.04578	85.8
255.02982	2.1
257.04520	7.8
273.04086	93.7
283.02594	3.3
286.03839	16.0
300.99936	6.0
301.03543	16.9
301.06927	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	301.027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.22866	0.3
59.01386	100.0
74.99393	0.7
76.58047	0.3
84.04670	0.3
106.32102	0.4
111.70120	0.3
114.92058	0.4
115.02521	8.6
117.00451	16.4
127.17403	0.4
156.93060	0.6
157.03569	1.9
159.01505	87.0
160.01610	0.6
201.02580	23.5
217.00523	1.7
259.01636	2.7
279.79623	0.3
283.01474	0.5
301.02695	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
51.29424	0.6
59.01385	12.0
61.89505	0.6
62.20198	0.6
82.64161	0.7
89.81045	0.7
102.17136	0.7
114.46853	0.7
116.92860	1.3
174.99263	1.7
181.23756	0.7
208.40425	0.7
217.00291	6.5
253.25406	4.9
281.24960	1.6
297.24161	0.9
299.25961	100.0
300.26050	1.0
312.02039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00686	0.6
53.58104	0.6
59.01389	15.2
61.98852	0.9
68.35718	0.8
83.44311	0.7
92.10733	1.2
116.92843	1.7
117.03522	1.0
137.06075	0.8
150.78407	0.9
158.64395	0.8
174.99249	3.4
209.53743	0.8
217.00322	8.6
253.25462	5.2
299.25952	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2595
Annotation	DL-2-hydroxy stearic acid
Peak:m/z	Relative Intensity
52.33784	2.1
53.37804	1.5
68.61314	1.7
109.81355	2.1
111.93416	2.4
116.92863	11.0
125.80825	2.0
126.50494	2.2
130.29875	2.2
130.63689	2.1
192.81889	2.2
208.86520	2.2
253.25414	83.0
281.24985	2.7
290.56689	1.8
299.25964	100.0
299.29202	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	300.1091
Annotation	Unknow
Peak:m/z	Relative Intensity
56.93838	0.3
59.01382	0.7
68.01432	0.6
68.47369	0.3
76.40480	0.3
122.02495	0.7
123.03266	12.3
124.07670	0.4
125.84053	0.3
137.04851	1.3
138.05618	100.0
152.07167	0.6
165.04379	1.1
180.06676	2.0
191.62187	0.3
300.10916	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	300.1092
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00349	0.4
59.01386	2.5
68.01411	3.1
71.01382	0.4
79.67337	0.3
84.03161	0.3
87.83066	0.3
96.04533	0.5
96.70331	0.4
105.10419	0.3
109.01750	0.4
122.02499	1.5
123.03269	8.9
124.07720	0.7
136.07706	0.4
137.04800	0.8
138.05620	100.0
152.07172	2.6
167.05882	2.6
168.06648	0.6
180.06720	6.0
197.36929	0.3
210.07800	0.5
300.10934	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	300.9991
Annotation	Ellagic acid
Peak:m/z	Relative Intensity
52.22742	0.8
54.83101	0.8
55.45419	0.7
59.01388	4.0
63.16467	0.7
87.00893	1.9
127.24202	0.8
129.03525	0.8
145.02950	4.5
147.04518	1.4
149.00952	1.9
157.02951	1.3
167.89227	0.8
173.02432	3.9
185.02496	5.5
189.01912	1.2
200.01370	1.0
201.01996	6.3
217.01453	1.0
226.99846	1.1
229.01402	8.5
245.00926	3.2
257.01089	1.3
283.99710	6.9
299.99194	6.6
300.99945	100.0
301.12540	1.2
302.00677	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1657
Annotation	4-Androsten-3,17-dione 19-aldehyde
Peak:m/z	Relative Intensity
59.01389	2.8
59.55432	0.3
60.24926	0.3
81.51541	0.4
92.10816	0.6
92.66031	0.4
97.30279	0.4
116.92857	0.4
117.03475	19.1
118.04266	0.6
119.05034	4.4
121.02962	4.1
123.04494	0.6
126.26757	0.3
128.19957	0.4
133.02940	0.7
145.02974	78.7
162.03227	0.9
163.04019	2.0
174.99216	1.6
217.00339	2.4
218.41469	0.4
227.08382	0.4
299.16589	100.0
299.25812	4.9
300.17017	0.8
312.82526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2018
Annotation	Dehydroabietic acid
Peak:m/z	Relative Intensity
50.93296	0.8
53.17825	0.8
54.21686	0.8
58.49231	0.8
59.01381	7.6
61.15510	0.8
62.86348	0.9
75.89781	0.9
81.20078	0.8
92.10763	1.2
107.47457	1.0
110.97131	0.9
116.92876	1.2
119.64661	1.0
121.02885	0.9
174.99213	1.5
217.00359	6.2
221.67528	0.9
246.03438	0.9
299.20227	100.0
299.25766	38.2
300.20499	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	299.1402
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19558	1.4
53.19817	1.7
53.55056	1.4
59.01390	2.3
64.35155	1.7
72.00928	2.2
74.02484	3.2
74.28491	1.7
77.93784	1.4
83.38007	1.8
86.71967	1.6
99.68420	1.9
106.55687	1.7
110.09763	3.4
131.03754	14.3
131.52228	1.9
132.04556	100.0
144.04567	41.5
145.05357	1.9
154.08752	51.8
156.03525	2.1
158.06139	13.9
171.06844	2.4
172.06427	2.5
182.06174	2.4
183.05623	3.3
185.07204	52.1
194.06100	3.3
196.66406	2.0
212.10826	24.5
224.10855	14.7
229.06224	11.6
238.12260	2.4
248.60909	2.1
255.15060	41.8
299.14072	70.9
306.89951	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	299.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01389	2.8
59.55432	0.3
60.24926	0.3
81.51541	0.4
92.10816	0.6
92.66031	0.4
97.30279	0.4
116.92857	0.4
117.03475	19.1
118.04266	0.6
119.05034	4.4
121.02962	4.1
123.04494	0.6
126.26757	0.3
128.19957	0.4
133.02940	0.7
145.02974	78.7
162.03227	0.9
163.04019	2.0
174.99216	1.6
217.00339	2.4
218.41469	0.4
227.08382	0.4
299.16589	100.0
299.25812	4.9
300.17017	0.8
312.82526	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0774
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
50.33939	1.1
51.53941	1.0
55.01882	1.0
56.08863	1.3
57.25431	0.9
58.00600	1.0
58.96429	1.1
59.01384	100.0
64.34885	1.2
71.01383	31.3
72.99321	1.6
83.01377	1.3
85.02948	9.9
85.06945	1.2
89.02448	37.6
93.03450	25.1
95.01414	2.4
101.02419	16.2
113.02468	16.6
119.03517	10.2
119.86803	1.3
135.04518	1.2
136.01646	9.7
137.02444	71.7
148.69492	1.2
151.04018	6.4
151.70679	1.3
179.03510	38.5
184.18951	1.2
209.04593	2.4
239.05634	10.2
292.17599	1.2
299.04413	2.0
299.07779	57.4
313.30338	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0776
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
59.01388	2.1
64.34700	0.2
65.03966	0.3
71.01384	0.4
71.05534	0.2
72.77030	0.2
89.02397	0.3
90.82967	0.2
93.03455	78.3
94.03783	0.3
95.72857	0.2
101.02509	0.2
107.05033	1.4
108.02171	1.5
109.02959	2.7
109.32372	0.2
114.39310	0.2
121.02943	3.5
133.02904	0.3
137.02449	100.0
138.02791	0.6
149.02385	0.9
151.04013	8.7
153.01953	4.5
154.02328	0.2
179.03526	4.8
209.04636	0.3
307.81888	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94476	1.1
53.99503	0.9
55.01891	1.2
58.00602	2.3
58.02811	1.1
59.01390	100.0
63.70125	1.0
67.15761	1.1
71.01392	32.5
80.16724	1.2
85.02982	11.4
89.02446	35.7
92.10126	1.3
93.03465	29.2
95.01414	2.3
100.55807	1.1
101.02449	17.0
106.56007	1.1
113.02459	14.1
114.45432	1.2
119.03519	11.1
136.01651	9.3
137.02464	67.5
137.03503	2.7
149.02475	1.3
151.04066	5.0
179.03522	33.1
179.05264	1.7
179.05685	1.6
209.04581	5.2
239.05684	11.9
269.44421	1.2
299.07767	65.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.093
Annotation	3'-Methoxydihydroformononetin
Peak:m/z	Relative Intensity
58.70008	0.5
59.01395	14.3
69.86859	0.6
75.55193	0.6
75.55940	0.6
83.01411	0.8
88.98838	0.7
92.10036	0.7
95.01415	3.5
108.02187	9.1
109.03002	1.5
111.00893	8.3
117.03494	0.8
122.03711	1.3
123.00886	13.1
123.04529	4.6
124.01687	14.9
132.02190	0.7
133.02971	9.5
134.03719	0.8
139.00359	2.3
147.04533	2.9
149.06120	3.2
150.03242	3.4
153.52979	0.7
161.02463	5.5
165.01910	0.7
174.99231	5.3
175.04034	0.7
181.06560	1.4
196.05270	1.3
197.06187	3.1
199.04063	1.1
201.05675	5.2
217.00397	10.0
224.04796	3.3
225.05591	8.5
226.02606	0.7
227.03555	3.5
241.04996	3.9
252.04303	0.8
253.05109	39.5
269.04630	8.4
283.06226	3.3
284.04300	0.7
284.06949	40.2
299.09302	100.0
305.27896	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2436
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
59.01379	1.1
85.64324	0.6
116.92890	1.2
157.80722	0.8
164.60585	0.8
214.71075	0.7
251.23845	44.8
297.24390	100.0
298.24426	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.244
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70410	0.3
59.01394	2.1
109.06310	0.3
118.60968	0.3
127.11304	3.6
129.36510	0.3
153.12961	0.4
165.84395	0.3
171.10298	13.9
226.48309	0.3
251.23874	0.5
261.22217	0.4
279.20279	0.6
279.23343	16.7
295.22861	0.6
297.24399	100.0
298.24710	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2437
Annotation	cis-9,10-Epoxystearic acid
Peak:m/z	Relative Intensity
52.07686	0.5
58.46965	0.4
59.01384	0.9
67.05511	0.6
69.08722	0.4
85.32398	0.7
86.96664	0.5
91.43408	0.5
96.14485	0.5
101.06954	0.5
106.33398	0.5
112.17575	0.5
141.12840	2.9
155.10796	19.9
252.76776	0.5
279.23315	15.9
297.24396	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0563
Annotation	5,7,2'-Trihydroxy-6'-methoxyflavone
Peak:m/z	Relative Intensity
53.17362	0.3
57.03462	0.6
59.01390	7.1
63.02407	9.5
65.00333	10.2
66.45150	0.3
68.99830	0.6
79.73251	0.4
80.02737	0.4
80.10801	0.3
82.39334	0.4
83.01405	9.9
91.01920	0.4
92.10036	0.7
93.03473	0.8
105.03493	0.5
107.01405	14.3
108.02179	2.3
109.02935	0.4
117.03477	0.8
119.05029	7.7
120.76920	0.4
121.02956	0.5
123.00900	0.7
125.02459	0.5
132.98175	0.5
133.02969	4.3
136.01666	2.4
137.02452	0.4
143.05025	1.8
145.02950	0.8
145.06638	0.4
147.04564	1.9
151.00388	16.4
155.05080	0.4
156.55992	0.4
157.06573	0.7
159.04573	2.1
161.06094	0.8
163.04007	2.2
164.01161	2.6
165.01967	0.7
169.01427	1.6
174.99188	2.6
177.01953	0.6
183.04532	0.6
185.06065	1.8
187.03960	3.6
188.04790	0.4
189.05618	6.3
196.00107	0.6
213.05568	2.3
215.03525	4.1
216.04268	0.5
217.00366	5.8
219.06842	0.4
225.05641	0.5
227.07198	0.9
229.05069	2.4
231.06645	2.0
255.06615	3.0
257.04605	10.7
261.76904	0.4
264.06604	0.4
271.06229	1.3
299.05646	100.0
300.05832	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2281
Annotation	13(S)-HODE
Peak:m/z	Relative Intensity
51.70964	0.5
58.86671	0.6
59.01387	1.8
60.06881	0.7
64.34731	0.9
64.42474	0.6
64.50292	0.7
72.99312	1.0
83.05038	1.5
119.05035	10.2
141.12857	12.7
149.00928	2.8
155.14427	5.8
163.04047	12.2
183.90344	0.7
249.22307	12.7
295.22827	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76335	0.3
52.95381	0.3
55.62355	0.3
57.03461	0.7
59.01389	2.9
62.79456	0.3
75.52084	0.3
83.04984	0.3
87.00887	0.5
90.63682	0.3
92.10789	0.3
113.09756	2.6
113.10452	0.3
119.05024	5.1
149.00934	0.5
163.04010	5.0
171.10332	0.6
177.12894	0.8
179.14383	0.8
181.12289	0.4
195.13919	22.0
277.21729	25.5
295.22803	100.0
296.23248	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2282
Annotation	(plusmn)12(13)-EpOME
Peak:m/z	Relative Intensity
55.38563	0.7
55.87082	0.6
57.03460	1.1
59.01388	3.2
60.43841	0.8
61.22633	0.7
68.62225	0.7
87.00899	0.9
93.05838	0.9
112.96835	0.7
112.98892	0.8
113.09743	2.9
119.05010	9.1
163.03993	11.6
179.14307	1.0
195.13940	22.9
274.77048	0.8
277.21774	25.2
295.22830	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	297.1193
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
55.01891	0.8
57.03466	0.5
57.39262	0.4
59.01388	100.0
59.71696	0.5
71.01381	9.7
71.01716	0.5
73.02960	3.0
80.73526	0.5
81.85699	0.5
83.01409	0.9
85.02946	4.2
89.02452	4.4
90.40972	0.5
95.01401	0.9
101.02468	10.0
105.65490	0.7
113.02439	4.6
119.03537	0.9
123.37399	0.5
140.03561	7.7
156.03032	0.8
161.04578	7.6
179.05484	0.7
230.19395	0.6
237.09819	20.0
237.12209	0.8
297.12067	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	295.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03455	2.6
59.01385	3.7
64.34740	0.6
76.57935	0.6
80.45164	0.6
111.54668	0.6
116.92875	0.7
119.04998	6.6
125.36131	0.7
137.09744	1.3
137.61501	0.6
147.87306	0.6
149.00905	0.9
155.14449	7.6
155.97446	0.7
163.04016	9.2
168.55672	0.6
171.10292	10.4
183.10324	0.9
195.13705	0.7
225.69537	0.7
251.23868	3.2
277.21768	16.1
295.22818	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1797
Annotation	Unknow
Peak:m/z	Relative Intensity
55.82652	0.6
61.98859	0.7
67.25023	0.6
79.95746	0.8
92.10098	2.3
96.96015	100.0
97.12489	0.7
172.93683	0.7
177.01973	0.8
191.93866	0.6
199.17111	4.5
220.14697	0.8
221.15489	5.8
236.10629	1.6
293.18002	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76586	1.6
58.73635	1.2
59.01378	2.1
62.67684	1.5
64.27745	1.4
68.67843	1.5
70.56668	1.3
83.37309	1.4
86.49957	1.4
88.56348	1.4
89.93416	1.4
92.66768	1.6
96.95995	9.9
116.98154	1.4
120.92493	1.5
125.09711	6.9
149.09740	2.4
185.11839	9.5
188.59908	1.7
197.11700	1.6
220.14790	3.2
221.15417	10.3
223.31111	1.5
236.10555	6.8
293.17932	8.9
293.21240	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43216	1.3
54.48901	1.0
57.03461	6.1
57.23695	1.2
59.01390	2.1
59.37887	1.2
73.03472	1.2
73.50284	1.2
77.63486	1.2
80.28860	1.2
87.33692	1.3
113.09743	23.9
139.11243	1.7
191.01811	1.9
195.13986	5.2
220.14783	1.6
221.15524	7.1
249.22206	1.5
293.21283	100.0
306.64374	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	295.0462
Annotation	cis-coutaric acid
Peak:m/z	Relative Intensity
57.24405	0.5
59.01395	10.6
62.96940	0.7
64.56384	0.5
67.39704	0.6
71.01407	0.8
71.91624	0.5
72.99307	0.8
87.00881	8.6
89.02452	1.1
92.66540	0.6
93.03459	0.9
103.00368	1.3
112.98851	6.7
119.05031	93.0
149.00928	4.8
163.04025	100.0
204.61887	0.7
227.49323	0.7
242.11382	0.6
295.04678	0.8
295.10403	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	293.1585
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48197	1.7
52.96590	2.0
53.14293	1.8
61.76247	2.2
63.67195	1.9
78.70714	2.3
81.20642	2.0
90.34012	2.4
96.96014	11.1
99.91292	2.1
114.39800	2.5
145.10587	100.0
149.06065	10.5
150.31514	3.1
160.11876	2.5
161.53503	2.4
220.03687	2.5
220.14694	12.1
221.15410	18.1
229.36032	2.9
235.49911	2.8
236.10689	6.0
293.15640	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39769	0.5
59.01384	100.0
61.93073	0.6
71.01395	4.0
74.99095	0.7
78.07841	0.6
91.27838	0.5
93.00182	0.8
98.60857	0.6
134.99405	0.8
149.00954	15.8
177.09232	3.0
192.11583	4.0
205.12352	4.7
217.07219	20.8
220.12575	0.8
220.14706	25.6
221.15488	46.3
233.10359	41.1
236.10570	28.2
293.17651	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	293.1245
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13138	0.9
52.56034	0.8
55.01883	1.1
57.64512	1.1
59.01385	69.3
64.93890	0.9
71.01386	30.1
72.99330	1.0
73.02958	1.2
83.01394	1.6
84.81486	1.2
85.02954	7.8
85.06603	26.0
89.02452	29.0
95.01385	1.4
100.00410	1.9
101.02455	18.5
113.02464	9.3
113.06079	1.8
115.07624	2.3
119.03510	8.5
127.06789	1.1
131.07135	83.7
133.02954	2.7
148.06360	1.7
173.08087	1.3
293.12466	100.0
293.70313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39415	0.3
52.75088	0.4
53.79401	0.4
57.03450	7.0
57.03664	0.4
60.93804	0.4
61.98809	0.4
67.29311	0.4
70.86477	0.4
72.99310	18.1
73.02965	2.8
85.02953	39.5
93.03457	0.5
101.02421	4.6
103.04012	2.9
106.73145	0.4
111.00896	0.4
114.39471	0.5
119.05023	59.6
129.01945	20.3
133.03056	0.4
147.03012	100.0
163.04016	33.6
171.44608	0.5
193.65919	0.4
215.98604	0.5
263.63550	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.9149
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14819	0.5
59.01391	0.8
69.53241	0.6
75.00897	1.2
76.62836	0.6
78.26746	0.7
78.95901	100.0
86.87616	0.6
90.25708	0.7
96.95489	0.7
96.96970	9.0
113.64513	0.8
132.81795	0.6
156.91289	1.5
194.93671	1.0
195.05142	3.0
198.90477	1.0
214.88330	68.1
230.91472	17.1
232.89430	5.6
233.43399	0.6
248.92470	1.5
250.84444	1.5
250.90224	1.2
256.87323	0.8
256.89359	39.3
274.90463	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.0671
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83179	0.4
57.75426	0.3
58.18756	0.4
60.06854	0.4
60.07230	0.3
71.01326	0.4
80.99976	0.4
85.02155	0.4
85.02958	15.5
85.03454	0.6
92.10088	0.9
93.03460	0.8
94.81932	0.4
105.03442	0.7
119.05023	99.1
122.83798	0.4
129.01965	1.8
133.02943	3.7
163.04024	100.0
177.01942	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1969
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	1.0
58.98977	0.9
59.01390	5.7
62.38563	0.7
65.38677	0.8
79.05779	0.7
82.91632	0.8
86.91143	0.7
111.08153	15.9
116.92872	1.1
121.03045	0.9
137.09703	1.6
155.22255	0.8
167.10767	3.5
177.12888	3.8
179.10794	1.2
182.41293	0.8
195.13914	12.7
239.87761	0.8
244.14590	0.8
247.20683	3.7
248.46298	0.7
273.18585	1.0
291.19696	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1971
Annotation	Unknow
Peak:m/z	Relative Intensity
55.72223	1.2
60.07053	1.3
70.76258	1.2
92.66340	1.7
107.91514	1.5
121.02886	1.5
148.09076	1.5
165.12878	24.3
227.29134	1.4
247.20709	11.7
273.18750	7.2
291.19705	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1968
Annotation	13-epi-12-oxo Phytodienoic Acid
Peak:m/z	Relative Intensity
59.01397	0.6
67.36243	0.3
73.02940	68.6
114.46712	0.4
121.02953	0.5
137.88341	0.5
291.19687	100.0
305.67264	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1923
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17186	0.5
53.62219	0.5
54.25032	0.4
73.30164	0.6
83.90530	0.5
88.87688	0.6
98.16228	0.6
156.13951	100.0
168.25108	0.7
200.12910	6.0
221.15538	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	292.1922
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.87502	0.5
52.48014	0.5
58.02991	0.9
59.61410	0.5
62.57922	0.5
67.03520	0.5
68.66958	0.5
78.82796	0.5
87.59212	0.6
92.65764	0.6
93.00520	0.7
107.64994	0.7
108.74220	0.7
156.13956	100.0
200.12944	4.3
230.60672	0.6
244.12971	0.7
292.19360	0.9
306.39911	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1091
Annotation	Itoside L
Peak:m/z	Relative Intensity
52.77086	2.9
54.25560	3.0
54.78793	3.1
55.01894	17.5
57.03459	23.0
59.01383	100.0
70.16837	3.6
70.17678	3.1
71.01380	95.7
71.05042	6.4
73.02950	26.6
77.26287	3.9
78.95908	4.6
83.01400	18.9
85.02939	40.3
89.02440	25.5
89.24528	3.8
89.99077	3.7
91.83511	3.4
93.66116	3.4
95.01402	4.0
96.96008	8.6
96.96973	18.6
99.00902	15.3
101.02433	64.8
103.00390	5.5
113.02459	32.8
119.03500	5.8
129.05493	3.4
145.01442	7.3
147.06570	4.6
155.59798	3.4
161.04587	23.3
163.02496	16.7
163.52736	3.4
291.10840	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1086
Annotation	Wentilactone B
Peak:m/z	Relative Intensity
53.55963	2.4
59.01387	5.6
64.00125	2.5
66.76495	2.4
76.58201	3.2
97.00120	2.6
156.89058	3.1
159.04482	12.2
177.81810	3.0
183.04625	3.4
187.07724	5.1
197.06120	61.0
198.06912	5.0
201.05605	5.0
207.62932	2.8
211.07654	12.4
213.09259	100.0
245.11945	24.0
248.30252	3.1
289.10834	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	291.0491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.20940	0.2
53.75267	0.2
54.35612	0.1
72.99305	0.2
78.95903	62.0
80.91665	0.3
96.96960	100.0
99.19991	0.2
109.97453	0.2
168.59190	0.2
175.51071	0.2
208.10934	0.2
218.20810	0.2
263.62814	0.2
285.28113	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.072
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
52.81237	1.5
53.99520	1.4
57.03454	12.2
64.30536	1.3
72.94093	1.6
81.03465	9.5
83.01396	13.3
92.10680	3.3
93.03462	4.0
95.05017	14.5
97.02959	20.8
107.05027	1.8
108.02168	2.6
109.02959	92.5
121.02934	12.0
122.03734	7.0
123.03622	2.3
123.04517	68.0
125.02434	44.9
135.04530	6.7
137.02444	30.6
138.03123	1.8
139.03999	14.0
145.02948	7.0
146.03766	2.1
149.02509	12.8
150.03275	3.9
150.46532	1.8
151.03999	29.0
159.04518	8.3
160.05301	3.5
161.02477	1.8
161.06075	10.1
162.03229	3.0
163.04028	2.1
164.01161	10.6
165.01939	10.3
167.03630	3.7
173.06052	2.5
175.04060	3.5
175.07700	3.7
179.03534	14.2
187.04112	13.9
188.04819	10.9
202.06438	3.7
203.07130	33.0
205.05133	19.8
221.08203	12.4
227.07195	2.2
245.08260	42.8
289.07239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0721
Annotation	[3aR-(3aalpha,3bbeta,7aalpha,8aalpha,8bbeta,8cbeta,9abeta)]-3a,3b,7a,8a,8b,8c,9,9a-Octahydro-8b-methyl-3-methylene-5H-difuro[4,3,2-ef:3',2'-h]oxireno[a][3]benzoxepin-2,5(3H)-dione
Peak:m/z	Relative Intensity
56.04784	0.8
59.01390	4.5
76.58244	1.1
83.01368	1.2
84.00273	1.0
88.94560	1.1
89.03992	1.1
89.14193	1.0
109.02972	1.0
111.02073	1.0
121.02977	1.3
125.02423	1.1
131.05016	1.6
145.02924	1.2
150.55762	0.9
151.00391	1.5
153.01947	15.6
158.03735	1.2
159.04472	6.6
160.01666	5.8
160.05316	1.0
160.62042	1.0
173.06097	1.5
175.00235	0.9
188.01114	13.1
189.01939	18.8
201.02063	7.8
201.05603	5.7
203.03526	94.4
204.04286	34.8
217.01457	5.1
218.05890	1.9
219.06674	5.7
231.03003	48.4
232.03690	3.7
243.78018	0.9
246.05414	8.2
247.06120	29.4
252.83936	1.0
259.02475	4.6
261.07758	8.3
289.07224	100.0
293.48581	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2232
Annotation	10,16-Dihydroxy-hexadecanoate
Peak:m/z	Relative Intensity
53.78454	0.7
59.01387	1.7
64.81690	0.6
67.57412	0.6
72.20638	0.8
83.82294	0.7
93.03441	0.9
99.08149	1.6
121.02962	1.3
125.02430	1.0
129.09177	1.2
135.04527	1.8
141.12871	3.7
150.03163	0.9
155.14462	1.0
189.77196	0.9
213.71437	0.8
227.44402	0.9
239.20020	0.8
241.01022	0.8
241.21729	1.5
269.21259	2.0
285.20819	1.6
287.08984	1.2
287.13150	1.8
287.22324	100.0
290.38840	0.8
299.15521	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24557	0.3
57.33254	0.3
59.01385	1.4
61.01844	0.4
61.98837	100.0
69.34902	0.3
74.52728	0.4
84.37263	0.4
88.07026	0.3
88.85035	0.3
91.77253	0.3
142.90190	0.3
158.60806	0.3
293.12466	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03474	0.3
57.89521	0.2
58.80138	0.2
64.73682	0.2
66.40012	0.2
67.08576	0.2
71.01398	1.6
78.95908	14.9
79.95757	1.4
83.01370	0.3
85.02940	1.8
87.00874	2.9
88.10614	0.3
96.96024	100.0
96.96972	28.2
99.00880	0.5
111.00892	9.0
111.01660	0.4
112.98808	0.6
124.98798	0.9
129.01939	0.5
142.98820	0.4
142.99879	7.7
158.56914	0.3
169.05188	0.4
171.67921	0.3
173.00955	5.4
191.02005	7.5
264.07336	0.3
270.98624	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.9966
Annotation	3-O-phosphonohexaric acid
Peak:m/z	Relative Intensity
55.01901	0.3
55.06197	0.2
57.41940	0.2
59.01384	0.6
71.01385	5.6
78.95910	53.8
83.01410	0.3
85.02962	1.7
87.00879	2.2
92.10161	0.6
96.96033	23.2
96.96960	100.0
99.00872	2.5
103.88690	0.3
111.00893	3.2
112.98817	1.6
113.43692	0.3
115.00380	2.0
124.98828	2.2
140.98323	0.3
142.99867	28.0
159.01068	0.5
172.99400	0.6
173.00916	18.0
173.02428	0.6
181.03258	0.3
191.01974	2.1
191.05620	2.9
270.98663	2.5
289.03711	1.5
290.02084	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0568
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	20.4
59.01403	9.0
63.02402	3.7
63.28485	1.5
65.00339	9.9
67.31293	1.6
67.84926	1.5
81.03481	2.4
81.98519	1.5
83.01408	9.0
92.10783	3.0
93.03465	2.9
95.12183	1.8
102.76111	1.6
107.01402	9.4
109.02965	2.4
124.49147	1.4
125.02447	100.0
125.94135	1.8
133.02910	2.7
135.04573	2.5
137.02441	1.8
140.73624	1.7
151.00377	16.9
152.01138	8.5
157.06660	2.2
169.01317	1.7
173.06100	7.4
177.05591	17.5
178.99898	8.7
195.04433	1.6
197.73782	1.8
201.05589	10.9
215.07156	3.7
225.05559	1.7
239.08804	1.7
243.06619	11.2
258.46719	1.9
259.06149	56.6
287.05643	41.7
287.15176	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	287.0905
Annotation	Unknow
Peak:m/z	Relative Intensity
57.12470	16.5
65.11375	17.8
67.14113	14.6
68.68800	15.2
73.77783	17.5
82.73452	19.5
87.00888	88.6
92.10818	37.1
96.96033	31.2
111.04510	33.5
116.92879	20.1
125.02472	100.0
137.06026	24.7
151.28754	20.3
287.03983	24.5
287.08923	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0928
Annotation	7,2'-Dihydroxy-4'-methoxyisoflavanol
Peak:m/z	Relative Intensity
54.35349	0.5
57.03445	0.8
59.01389	3.5
65.03962	1.3
65.44344	0.5
69.03444	4.9
83.01387	17.5
88.47594	0.5
93.03458	4.3
107.05004	2.8
108.02167	0.7
109.02952	13.3
118.16928	0.7
125.02444	2.9
134.03741	28.2
137.02448	100.0
149.04930	0.6
149.06085	16.8
150.03262	0.8
151.03998	14.9
173.53957	0.7
287.09213	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	287.1503
Annotation	asc-DeltaC8
Peak:m/z	Relative Intensity
57.15510	0.4
59.01386	100.0
61.10854	0.4
70.14630	0.4
74.18221	0.4
79.92345	0.5
83.45971	0.4
96.10564	0.5
99.04506	1.0
165.12846	0.7
190.64664	0.5
207.13928	2.4
209.11935	6.1
225.15063	5.3
227.12914	41.2
251.12845	0.7
267.02850	0.5
269.13937	9.6
287.15042	70.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0565
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
52.91506	1.5
57.03449	2.8
62.21266	1.5
77.03970	2.5
83.01404	23.0
92.10069	2.8
93.03481	9.6
95.01457	2.5
95.05073	2.0
97.02969	3.3
107.01433	2.3
108.02221	2.0
109.02966	26.7
119.05072	2.2
121.02966	35.9
124.01643	4.3
125.02438	36.2
130.04207	3.9
131.05095	3.4
133.02971	7.5
135.04536	20.6
137.02461	100.0
138.66028	1.9
145.02939	2.7
145.06660	2.4
147.04565	10.5
148.05341	2.6
149.02467	38.9
149.06047	3.1
150.03247	3.9
151.04019	8.5
157.06613	2.7
158.03789	4.0
159.04517	25.9
161.02496	9.9
161.06006	2.4
165.01949	13.4
166.83116	2.1
171.04509	2.1
172.05315	10.9
173.06116	21.2
174.03250	9.2
175.04042	36.6
177.02052	2.8
177.05597	10.1
182.03798	4.1
183.04573	9.5
189.05585	7.5
191.07187	2.3
197.06076	3.0
199.04057	3.5
200.04854	3.8
201.05614	35.9
203.03499	12.0
215.07129	8.9
217.05075	10.0
219.06676	9.2
225.05606	8.5
241.05098	3.4
243.03030	2.4
243.06659	11.1
258.05264	3.6
259.06180	19.3
269.04645	3.6
287.05701	23.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.2075
Annotation	Hexadecanedioic acid
Peak:m/z	Relative Intensity
51.34699	0.6
59.01391	4.1
61.98824	0.8
73.95904	0.6
74.75575	0.8
78.95948	0.7
112.27660	0.6
116.51305	0.7
133.02979	2.6
213.26414	0.7
221.19109	1.0
222.81244	0.7
223.20726	83.9
241.21764	1.1
267.19684	47.4
285.04135	7.7
285.20764	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	286.239
Annotation	Prosopinine
Peak:m/z	Relative Intensity
51.50116	0.6
54.71016	0.7
56.75904	0.8
59.01374	0.8
73.75082	0.7
74.06120	1.2
114.39549	1.3
148.40524	0.9
240.23294	3.7
242.21246	1.6
286.04462	1.3
286.23904	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56343	0.2
56.63937	0.1
58.00612	0.1
63.02404	2.8
65.00330	11.0
76.58322	0.2
83.01392	5.6
83.73220	0.2
89.04005	0.2
91.05530	0.3
92.10783	0.2
93.03414	0.3
107.01398	15.7
107.05021	0.7
108.99326	0.3
109.02962	2.6
117.03436	0.2
125.02448	2.4
125.84598	0.2
132.27551	0.2
133.02969	0.2
134.03745	2.2
135.04533	100.0
136.04886	0.3
137.02438	0.3
151.00385	54.9
159.04520	0.2
161.02446	0.3
165.01888	0.8
168.17070	0.2
169.01408	1.2
177.01871	0.3
214.41655	0.2
269.04556	0.6
287.05649	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	285.1134
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
59.01404	4.1
61.98835	0.8
65.00326	0.8
78.95900	1.3
83.62263	1.1
89.72149	0.7
92.02696	0.9
93.03476	3.3
94.63939	0.7
95.01403	3.7
106.04265	7.1
107.01400	0.9
108.02183	76.2
112.45692	0.7
123.04533	1.4
124.47712	0.8
133.02951	4.7
134.03743	24.1
135.04509	1.2
147.04538	1.2
149.06113	2.9
151.00438	1.6
241.13440	0.8
270.09088	1.3
285.04233	16.7
285.11356	100.0
285.20758	3.3
296.24609	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
62.49761	0.6
78.95928	1.0
84.35775	0.8
86.26607	0.6
93.03460	5.0
106.04264	8.1
107.05035	32.4
108.02165	1.6
117.78400	0.6
119.05003	4.1
121.02927	4.5
121.06524	1.0
122.03745	3.1
123.04498	7.8
128.98399	0.7
133.02940	3.7
134.03740	16.8
135.04532	100.0
136.05313	1.0
138.37012	0.7
149.06105	11.7
149.57553	0.6
151.00494	0.7
151.07632	1.5
155.78909	0.7
159.04567	0.8
162.03215	1.2
164.04761	3.1
177.05574	3.8
179.07155	6.8
237.05606	7.9
251.07188	3.2
252.07986	20.9
263.85941	0.7
267.10294	12.7
285.04276	6.1
285.08109	1.6
285.11334	45.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1823
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11849	0.3
57.60933	0.3
59.01386	100.0
60.01731	0.4
61.95148	0.4
65.60912	0.4
68.54292	0.4
81.03443	0.7
83.05032	6.4
164.43073	0.4
190.16125	0.4
207.15033	0.6
225.16112	14.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1134
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	0.4
67.27859	0.4
78.95901	15.2
80.66215	0.4
93.03458	10.5
95.01382	1.7
103.05534	0.6
106.04230	0.5
107.89442	0.5
108.02173	2.3
117.03474	5.5
119.05019	5.4
121.02920	3.2
123.04527	4.6
130.04248	8.6
131.05025	49.3
133.02927	6.6
134.03745	5.0
143.05023	1.7
146.03764	5.4
149.02454	0.7
149.06097	7.0
151.00311	0.4
159.04506	4.0
173.06012	0.6
179.07158	0.6
181.06564	0.9
182.07333	0.8
183.08122	0.9
193.06589	2.4
207.08177	2.2
208.05258	3.4
208.08952	3.2
209.06087	10.7
209.47879	0.5
210.06866	0.9
221.06302	0.5
222.06874	2.3
223.07635	2.2
237.05600	47.3
237.09023	4.0
251.07149	18.9
252.07957	100.0
253.08357	0.6
267.10306	67.1
285.04214	6.2
285.11313	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	285.0772
Annotation	Coeloginanthrin
Peak:m/z	Relative Intensity
54.93650	2.2
59.01402	11.5
59.88633	2.3
64.34633	3.6
91.01880	3.0
102.47614	3.1
108.02210	11.7
109.67128	2.7
117.03435	4.1
133.02977	16.9
134.03746	58.0
135.00902	6.0
135.04575	5.8
148.01711	14.6
153.01952	5.5
159.04530	2.9
161.02498	44.1
161.04837	15.0
174.92151	3.0
180.00682	18.3
193.03850	11.3
249.11255	3.4
269.04581	13.6
270.05020	5.3
285.04132	37.8
285.07709	100.0
285.12415	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	285.0984
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53682	1.3
53.87802	1.2
56.00690	1.5
58.00600	2.5
58.71929	1.2
59.01389	100.0
71.01386	51.4
72.99319	3.0
73.98518	1.3
75.93434	1.9
85.02953	11.3
85.96661	1.3
89.02444	68.4
92.10153	3.1
95.01393	3.3
101.02449	17.3
107.05019	1.7
113.02466	15.9
119.03522	20.8
119.13818	1.4
121.30582	1.8
122.27158	1.5
123.04556	2.1
126.01633	1.4
140.58841	1.4
143.03445	1.9
161.04547	3.3
178.10341	1.5
179.05573	12.0
285.04062	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0769
Annotation	4-O-Methylbutein
Peak:m/z	Relative Intensity
59.01390	2.4
65.00352	1.4
74.37115	1.1
78.95920	6.5
86.40118	0.9
91.01893	37.3
92.35559	1.1
93.03465	1.2
95.01397	3.7
107.01420	1.6
108.02169	11.9
109.02966	1.1
119.05039	1.7
121.02936	1.4
122.03749	4.9
133.02954	11.0
134.03748	100.0
135.00880	25.6
135.04523	7.9
145.83301	0.9
147.04555	1.7
148.01668	22.8
149.02507	5.0
149.06096	27.9
151.00398	2.0
153.01956	29.0
160.01738	1.0
161.02406	2.1
172.76750	0.9
175.04021	1.0
180.00644	18.6
199.03932	1.9
241.05075	3.9
243.06602	1.1
257.08258	1.0
257.11890	5.6
268.92834	1.1
269.04715	8.2
270.05347	18.7
285.04117	30.1
285.07700	93.8
285.11005	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	285.0406
Annotation	Fisetin
Peak:m/z	Relative Intensity
50.07925	0.4
50.08195	0.4
61.94324	0.4
63.02407	0.9
65.00348	1.0
69.22024	0.4
71.04184	0.5
78.51772	0.5
81.77654	0.4
83.01399	0.8
91.01949	0.5
93.03472	2.8
95.09060	0.4
107.01384	2.7
109.02978	0.5
117.03477	0.9
133.02966	3.4
133.35950	0.5
143.05072	1.1
145.02974	0.6
151.00359	3.2
154.04318	0.5
155.05028	0.7
156.05936	0.5
157.06569	0.8
159.04465	2.0
161.02562	0.7
162.52643	0.6
164.01140	0.6
169.06554	0.7
171.04497	0.7
173.02322	0.5
184.05214	0.7
185.06100	3.0
187.04044	2.5
190.00829	0.5
199.03992	0.5
201.05615	0.6
211.04051	1.7
213.05498	1.8
214.02795	0.6
215.03596	0.6
217.05293	0.6
229.05075	2.8
239.03563	2.4
243.02968	0.6
257.04483	0.7
271.45609	0.5
285.04083	100.0
294.96463	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72084	0.1
54.22795	0.1
59.01385	3.1
92.10786	0.4
93.03468	0.3
106.04241	1.0
108.02183	0.6
115.48181	0.1
123.04588	1.0
123.05328	0.1
123.18740	0.1
133.02956	9.5
148.01714	0.2
161.02457	100.0
162.02811	0.7
201.02609	1.2
207.42436	0.1
268.07446	16.8
283.09796	7.3
283.26566	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0978
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
59.01387	3.5
78.16837	0.4
87.11322	0.4
93.03471	5.0
106.04256	18.2
107.05039	49.7
108.02180	5.7
119.05019	13.0
121.02953	0.7
123.04520	0.9
132.02162	7.6
133.02928	1.7
134.03743	7.9
135.04543	7.3
138.03230	1.6
147.04526	6.6
149.06128	0.7
160.01625	3.0
161.02448	3.6
162.03241	1.9
175.04070	0.6
176.88570	0.5
197.06110	2.5
201.02525	0.7
225.05664	5.2
240.07922	1.7
248.50587	0.6
249.05586	0.5
250.06438	1.9
253.04950	0.5
255.10275	0.5
268.07462	1.7
275.77856	0.4
283.09796	100.0
283.26550	0.9
284.10196	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36502	0.4
59.01393	0.7
77.38055	0.5
80.02689	0.7
82.00623	0.7
92.02662	3.7
93.03451	2.1
95.01398	7.1
108.02186	36.4
117.03460	0.7
119.05035	0.7
120.02174	1.0
121.02943	0.8
123.00902	0.6
123.04543	0.6
125.12637	0.5
133.02962	8.3
134.03741	2.4
145.02980	4.1
147.04500	4.3
159.04576	0.8
181.06522	0.6
184.94307	0.6
197.06114	1.1
198.68454	0.5
201.02553	0.9
208.05310	1.1
209.06133	4.2
210.03175	1.1
211.03996	0.6
224.04720	0.6
225.05602	5.9
227.07210	0.8
236.04819	0.8
237.05594	83.1
238.05908	0.7
251.07263	0.6
253.05110	3.6
267.06638	2.9
268.07443	36.9
283.09784	100.0
283.26477	0.7
284.10037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75831	0.6
59.01393	13.8
66.50460	0.7
67.64156	0.6
73.43353	0.6
77.21451	0.7
84.25063	0.7
92.02731	1.0
92.10133	2.8
93.03467	3.3
95.01391	8.2
98.80743	0.7
108.01453	1.2
108.02189	33.7
108.02898	1.7
117.03498	5.4
121.02968	1.7
123.04496	0.9
126.29289	0.7
133.02968	10.8
134.03751	1.2
137.02454	1.6
138.03220	3.1
145.02966	2.6
147.04550	3.6
149.06055	0.8
165.01974	1.6
168.15623	0.7
180.05833	3.5
193.06659	1.5
195.04619	1.5
197.06085	0.8
201.02586	7.5
207.04541	3.1
208.05334	29.3
209.06071	7.8
210.03227	3.9
211.03979	2.7
221.06125	3.3
222.06882	9.9
223.07680	3.6
225.05600	10.8
227.07143	1.1
235.03966	7.3
236.04814	17.1
237.05608	62.2
238.70645	0.9
251.07170	43.8
253.05101	3.2
253.08719	1.0
267.06540	2.7
268.07477	22.6
269.08130	7.1
283.02817	8.6
283.09796	100.0
283.26428	6.3
284.10233	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0975
Annotation	Unknow
Peak:m/z	Relative Intensity
53.12492	0.5
59.01374	5.3
63.67585	0.5
65.85519	0.5
80.02671	0.8
83.12975	0.6
91.01853	0.7
92.10865	1.2
93.03447	0.7
106.04257	0.8
107.01388	1.1
107.50665	0.6
108.02166	14.8
109.02967	10.2
115.28469	0.5
116.21879	0.5
117.03469	9.1
119.05003	1.0
121.02943	14.8
121.46310	0.6
122.03741	1.4
123.00858	0.6
132.02136	1.2
132.05803	1.2
133.02960	0.7
133.06609	2.2
134.03729	3.5
135.00851	1.2
136.01659	3.2
145.02962	0.8
149.02444	5.8
149.06084	0.6
153.01906	0.8
158.03734	3.4
159.04521	3.8
161.02431	12.5
162.03273	0.8
175.04068	0.8
180.05798	0.8
181.06549	1.3
186.53584	0.6
192.35515	0.6
193.06517	0.9
197.06087	3.9
201.02618	1.3
208.05302	3.5
209.06076	5.7
211.04031	3.4
221.06059	2.8
222.06917	0.9
224.04845	1.0
225.05580	8.2
227.07123	1.1
235.11008	0.7
236.04855	3.3
237.05603	4.9
239.07114	1.0
249.05644	0.9
250.06319	2.2
251.07204	9.7
252.04291	7.7
253.05086	51.3
254.05777	0.8
267.06631	13.5
268.04642	0.9
268.07443	25.2
283.09781	100.0
283.26270	1.1
284.10226	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0288
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23857	0.4
54.66850	0.4
59.01383	100.0
61.98862	0.7
62.57395	0.5
70.09743	0.7
83.07652	0.6
90.71774	0.6
96.50077	0.5
112.92326	0.8
116.19955	0.5
129.93068	0.5
157.03568	5.3
159.01503	5.7
201.02573	71.5
283.26434	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	283.0614
Annotation	Thevetiaflavone
Peak:m/z	Relative Intensity
50.74630	1.0
59.01384	19.3
59.04934	1.3
61.62083	1.0
65.03978	4.7
67.87956	1.1
91.01894	2.2
91.05542	8.7
93.03451	25.4
95.01398	1.3
108.02187	2.3
109.02928	8.6
117.03468	4.9
121.02943	10.0
133.02994	6.2
135.04541	23.3
145.02983	4.9
147.04512	1.8
161.02457	12.8
163.06146	1.9
165.01913	4.6
184.17624	1.5
201.02553	2.5
204.89946	1.4
209.06097	2.2
211.03929	2.1
226.06320	1.7
235.03983	2.9
237.05484	1.4
239.07188	10.0
240.04150	1.1
253.05063	2.9
255.06650	1.7
268.03812	1.8
283.06143	100.0
283.26367	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	283.0616
Annotation	1-O-Methylemodin
Peak:m/z	Relative Intensity
50.14041	1.1
59.01397	17.1
65.12243	1.1
88.58080	1.5
91.01891	1.9
93.03488	2.0
99.05529	1.3
108.02162	2.3
123.97946	1.2
132.02196	2.6
135.00977	1.5
149.06084	1.8
183.04471	10.4
184.05330	12.9
195.04562	5.4
201.02614	5.1
211.04024	48.2
212.04791	8.7
219.73570	1.4
223.04097	2.6
227.03545	2.0
239.03554	10.8
240.04282	13.3
268.03796	100.0
283.02524	26.3
283.06125	63.8
283.26398	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	283.0978
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03128	0.1
59.01382	2.1
69.22725	0.1
82.03359	0.1
89.03966	0.2
92.10081	0.4
93.03487	0.2
105.35181	0.1
106.04254	1.0
109.03066	0.1
123.04537	1.1
126.82928	0.1
133.02948	9.8
148.01689	0.6
161.02449	100.0
162.02866	0.6
188.44977	0.2
201.02573	1.3
239.68216	0.1
265.02115	0.2
268.07428	16.8
283.09787	6.6
283.13074	0.2
283.26413	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0249
Annotation	Lupinalbin A
Peak:m/z	Relative Intensity
54.00105	0.3
59.01385	3.9
62.17162	0.3
63.02402	5.4
65.00296	1.7
70.18681	0.3
75.96773	0.3
83.01361	0.7
93.03446	0.5
101.86831	0.3
104.40072	0.4
107.01405	4.3
107.05004	0.4
114.45798	0.3
115.84069	0.3
117.03400	1.6
121.02921	0.6
121.04265	0.3
123.79617	0.4
127.05483	0.4
133.08714	0.4
135.04416	0.4
139.05556	0.6
141.28079	0.4
143.05017	0.8
145.02919	0.9
147.00850	0.5
151.00388	3.2
155.05009	2.5
159.04477	1.9
161.02444	0.6
167.05113	1.2
169.01292	0.4
171.04425	0.4
175.13167	0.4
182.03775	2.5
183.04518	5.7
185.02455	2.0
187.04082	0.7
199.04060	0.7
201.02611	1.1
211.03987	0.8
227.03545	1.8
234.69997	0.4
255.03023	100.0
256.03238	0.7
283.02542	27.9
283.05774	1.4
283.09714	1.5
283.26392	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	281.0881
Annotation	alpha-1,5-L-Arabinobiose
Peak:m/z	Relative Intensity
50.03622	1.2
50.84932	1.4
53.97957	1.2
54.85220	1.3
55.01886	3.6
57.03451	13.5
59.01385	23.1
67.01910	2.3
71.01380	65.0
72.99300	1.5
73.63466	1.2
78.95911	2.2
83.01406	6.4
85.02953	90.4
87.00872	31.3
92.10219	1.9
95.01395	9.2
103.00378	5.5
108.93848	1.7
111.00871	2.8
112.01678	3.1
113.02454	94.3
127.04056	1.7
129.01941	5.7
139.00394	2.1
156.02618	1.5
164.92688	2.1
205.07191	9.8
206.93861	2.1
210.98169	1.6
249.06210	6.9
253.60074	1.5
254.13655	1.5
281.05701	3.4
281.08823	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84615	0.3
55.21433	0.3
59.01387	100.0
62.03806	0.3
70.55859	0.3
71.01404	0.6
71.64756	0.4
82.43445	0.4
83.01418	0.4
88.98807	0.4
101.02451	0.7
109.19909	0.4
113.02395	0.4
140.03583	0.6
161.04559	0.4
164.18903	0.4
198.95625	0.4
221.10262	3.1
228.83214	0.4
244.66061	0.4
262.07938	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1396
Annotation	Carolenalol
Peak:m/z	Relative Intensity
50.02059	2.6
55.01911	4.3
57.03461	22.8
59.01388	54.4
63.47591	2.7
68.33697	3.2
71.01387	3.0
71.04993	3.3
72.03791	3.0
73.02945	4.6
80.82329	3.2
83.05039	16.3
85.02965	5.5
87.00901	18.6
93.03420	3.3
101.02459	4.0
109.02932	5.3
121.02988	15.2
121.06625	14.9
123.08186	31.4
124.05302	3.7
131.05083	3.7
133.03000	11.6
137.09729	6.4
139.07648	6.6
147.04530	15.1
149.06091	76.6
153.09232	4.3
169.10158	4.0
171.11812	35.9
175.04047	5.8
189.12877	8.5
193.05124	34.8
201.12917	8.0
201.87552	3.7
207.13933	5.7
219.13914	4.5
233.75349	4.7
237.04070	21.9
237.14987	46.6
281.03226	7.1
281.13937	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0306
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37071	0.3
58.75008	0.3
59.01400	3.0
62.96682	0.3
65.00336	2.3
69.90283	0.5
71.01392	25.3
74.54839	0.3
85.02975	0.4
85.16838	0.4
87.00935	0.3
91.01901	31.2
93.03487	0.4
108.02193	3.3
109.02960	39.6
114.39466	0.4
115.00379	9.2
121.02930	5.7
139.07680	0.5
145.98875	0.4
165.01938	100.0
166.02235	0.5
180.50349	0.4
226.36833	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.082
Annotation	7,4'-Dimethoxyflavone
Peak:m/z	Relative Intensity
52.79668	1.0
55.91782	1.0
59.01381	12.0
71.99503	1.0
85.69524	1.1
92.10114	3.7
95.05044	2.1
98.91317	1.5
105.03464	2.0
108.02160	3.0
109.02967	3.0
117.03495	5.8
119.05022	1.8
121.02940	4.7
123.04544	9.7
130.04114	1.6
132.02176	63.8
132.03166	2.6
133.02968	12.3
142.63156	1.4
145.03003	1.4
147.04541	30.5
161.02415	4.1
175.04085	2.2
189.76875	1.2
193.06555	1.9
209.06125	7.2
210.06891	5.6
221.06065	1.7
222.06862	5.1
223.04054	1.8
224.04803	8.2
237.05638	16.0
238.06386	35.7
248.04713	1.6
249.05620	7.2
251.03308	2.0
253.08728	9.3
265.05118	18.2
266.05902	67.8
281.08215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.233
Annotation	Linoleic acid
Peak:m/z	Relative Intensity
50.51656	0.9
50.86060	0.9
51.99413	1.2
61.38943	1.1
109.86858	1.2
163.47183	1.2
168.56688	1.2
198.68314	1.2
201.08403	1.3
258.37653	1.4
279.23318	100.0
281.52609	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.0151
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01641	0.3
54.82421	0.5
57.03450	0.9
59.01390	3.3
59.46674	0.4
60.99314	16.9
64.64648	0.4
67.01888	0.5
71.01379	7.2
73.02953	0.5
75.00877	1.1
83.01395	2.0
85.02945	1.0
87.00871	2.8
88.98802	100.0
89.02438	10.0
99.00901	4.5
101.02438	0.9
103.00335	0.6
109.02984	0.6
111.00882	3.0
112.98806	14.3
115.00368	1.1
119.03550	0.6
133.01433	1.0
135.02954	0.9
142.99850	2.9
149.00911	2.6
163.19299	0.4
165.04004	0.7
173.00960	3.6
281.08719	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	279.0835
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.3
59.01104	0.6
59.01390	12.5
59.09961	0.3
61.33063	0.3
61.98840	100.0
71.01385	5.4
72.00925	3.9
72.99346	0.5
73.02963	0.5
80.96561	0.3
83.01385	0.6
85.02974	1.4
87.00874	0.4
89.02468	2.1
98.02450	0.5
101.02448	2.9
103.00400	0.5
113.02409	1.4
115.00377	4.6
117.05571	1.5
119.03497	0.6
133.01447	7.6
133.05019	0.3
136.83777	0.3
142.01535	0.3
144.03043	9.7
161.04518	0.4
163.01323	0.3
163.02489	3.0
188.47342	0.3
216.08821	3.4
237.09799	2.0
279.10779	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0722
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14797	0.5
57.03456	18.0
59.01384	6.5
60.82273	0.4
61.98832	1.0
71.01383	20.5
71.15775	0.4
72.00924	1.3
72.99320	1.2
73.02965	2.5
74.02463	8.1
75.00879	2.3
77.89303	0.5
81.36668	0.5
83.01393	5.4
85.02978	0.7
87.00872	15.9
87.04531	2.7
89.02441	6.8
96.96004	0.6
98.95684	0.5
99.04516	7.6
101.02425	6.3
103.00372	2.2
115.00376	14.4
127.00365	7.0
131.03674	0.6
132.03650	0.9
132.04570	16.6
133.01436	19.9
133.05075	100.0
135.03033	3.9
144.04562	24.3
145.01418	4.4
157.05421	0.6
158.06123	3.4
161.04559	7.0
163.02496	8.6
169.32678	0.6
210.36349	0.6
211.26195	0.7
219.07773	31.2
237.08803	1.2
279.07355	7.9
279.10526	0.8
299.71100	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2175
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
59.01400	1.8
62.22199	1.3
63.93966	1.3
90.80135	1.6
99.71412	1.7
117.66757	1.6
118.39719	1.7
166.57042	2.0
215.20911	1.8
277.21747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0359
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03469	1.1
57.57851	0.5
58.04848	0.5
59.01392	2.1
59.85199	0.5
68.16849	0.4
71.01379	26.8
72.99305	6.0
73.02951	0.6
83.01394	9.1
87.00871	12.4
89.02455	3.4
91.95528	0.6
92.10158	1.2
99.00887	1.2
101.02448	0.9
109.02950	0.5
111.00887	2.5
112.98806	8.8
115.00376	69.9
115.92112	0.8
127.00380	12.7
129.01982	0.8
133.01433	100.0
142.99899	1.2
145.01445	8.1
146.89873	8.1
162.89359	4.7
163.02505	0.7
173.00957	1.0
182.93983	0.5
191.05818	0.6
216.90509	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	279.051
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01775	0.5
51.50161	0.5
55.16355	0.5
55.56905	0.5
56.48037	0.6
59.44189	0.5
59.74098	0.6
60.27277	0.5
63.20080	0.7
67.20113	0.5
71.01391	23.9
72.99329	3.7
87.00925	0.7
89.02447	2.6
115.00375	57.3
119.05029	55.0
133.01434	100.0
147.04517	1.3
148.14600	0.7
163.02701	1.4
163.04021	30.1
285.96191	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	276.9374
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90126	0.3
72.23802	0.4
78.95901	71.0
96.96028	0.5
96.96951	6.3
114.88872	0.4
136.94968	2.0
146.40916	0.4
178.96097	7.4
183.99594	0.4
196.92616	3.1
198.90556	100.0
199.90736	0.6
213.89372	0.5
214.93703	15.4
216.91527	12.5
228.12149	0.4
231.30502	0.4
234.92479	2.2
240.91618	23.3
243.86446	0.4
258.92667	51.3
259.92755	0.4
261.56107	0.4
272.61053	0.4
277.04370	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0928
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	71.0
59.01380	1.1
67.44476	0.6
73.02979	0.8
83.01392	10.3
85.06595	34.0
92.10124	0.6
99.66225	0.6
101.02434	7.6
107.46291	0.6
127.00375	15.0
131.07137	100.0
143.80540	0.6
145.01411	7.3
157.04367	0.7
217.10890	0.9
277.09384	5.1
277.12787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.093
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
55.01888	14.1
57.03455	12.1
57.79299	2.1
59.01385	68.3
59.01691	2.9
71.01380	100.0
71.05019	4.5
72.99303	3.5
73.02936	31.3
75.00877	2.8
78.95921	12.5
83.01398	13.9
83.05067	3.1
85.02953	83.2
87.00887	4.2
89.02428	5.9
95.01386	4.2
96.96000	9.4
96.96959	4.2
98.73674	2.2
99.00877	13.5
99.04480	3.5
101.02442	50.6
109.06595	10.6
111.04513	3.8
113.02457	36.5
115.04010	33.5
118.98068	3.4
119.03445	2.5
120.26084	2.3
120.26952	2.2
125.02393	3.2
127.07620	16.8
129.01968	21.5
133.01442	2.4
153.05527	3.4
159.02989	2.6
161.04568	27.6
165.04076	13.9
171.06609	3.8
197.04581	14.7
215.05652	5.1
233.10315	4.6
259.04614	12.2
270.10422	2.5
277.05566	3.2
277.09253	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	275.0217
Annotation	GW 9662
Peak:m/z	Relative Intensity
53.89033	0.3
55.38125	0.3
59.73813	0.3
61.01031	5.5
71.01391	22.4
72.48920	0.3
96.99292	0.6
98.93773	0.3
101.02496	0.4
115.00374	100.0
116.00731	1.4
133.01413	0.4
136.18941	0.4
141.00009	0.5
159.01067	52.2
181.94991	0.3
275.02197	57.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.041
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03463	4.7
59.01394	2.1
61.01033	6.4
71.01382	25.1
73.02938	8.1
78.95938	1.2
83.01434	1.1
85.02955	82.6
96.96948	2.1
96.99237	1.1
101.02464	9.7
103.00385	11.3
115.00381	100.0
119.03493	1.3
127.00373	4.4
129.01950	52.8
145.01451	8.4
159.01080	56.5
159.04678	1.2
163.02510	50.8
194.48595	1.0
213.09552	1.1
215.55489	0.9
275.02203	57.2
275.05438	2.2
288.74243	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	275.0412
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55413	0.8
57.03475	7.9
57.03708	1.0
58.37738	0.8
59.01402	2.4
71.01398	1.9
73.02950	9.8
76.47014	1.1
83.01412	5.5
85.02962	100.0
91.50163	1.0
101.02439	14.9
103.00367	18.7
115.00375	4.2
119.03502	2.6
127.00390	6.4
129.01947	63.0
131.79721	1.1
133.01401	1.8
145.01408	8.2
160.58353	1.1
163.02498	70.3
180.35782	1.1
181.52802	1.1
183.19655	1.1
192.51212	1.0
281.98334	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.96498	0.7
56.89818	0.8
87.19189	0.7
92.10681	1.3
114.38808	0.8
117.29662	0.7
130.63902	0.9
165.83980	0.8
189.21481	1.0
211.20729	1.2
225.22298	1.0
271.22849	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	272.0778
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08198	1.0
56.22254	1.1
59.01383	100.0
60.63462	1.2
61.76567	1.3
66.03493	27.1
71.01379	46.0
72.99315	2.8
83.01396	1.9
85.02949	10.8
89.02439	46.3
89.02927	2.3
92.10833	1.6
95.01379	3.0
101.02447	19.1
110.02485	43.0
110.03255	2.1
113.02439	13.6
119.03493	15.0
143.03549	1.8
152.03549	26.9
179.05646	1.7
212.05653	18.9
264.55014	1.4
272.07816	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	273.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88256	1.0
51.88510	1.0
52.24225	1.0
83.01407	2.1
84.02154	1.2
111.05044	1.4
125.09728	7.1
138.59068	1.3
165.12906	1.3
171.10268	2.7
172.88492	1.5
173.02402	6.5
179.57613	1.5
191.10799	2.2
209.11873	7.0
223.13336	1.9
243.15901	2.1
245.00891	2.7
273.00504	2.9
273.17142	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2281
Annotation	2-hydroxyhexadecanoic acid
Peak:m/z	Relative Intensity
50.28229	0.9
85.20662	1.0
92.60038	1.2
95.57302	1.3
173.87903	1.2
223.20743	9.5
225.22270	95.8
234.44539	1.4
264.54343	1.2
271.22824	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.2282
Annotation	16-hydroxy hexadecanoic acid
Peak:m/z	Relative Intensity
50.85128	0.3
53.62519	0.4
71.54527	0.4
74.57137	0.4
78.69054	0.4
90.16244	0.4
105.46056	0.5
108.11695	0.5
122.44283	0.6
161.87605	0.4
166.29926	0.5
169.33569	0.4
225.22301	4.4
253.21791	1.9
269.21222	0.7
271.22839	100.0
272.23196	0.7
276.13712	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0977
Annotation	Unknow
Peak:m/z	Relative Intensity
55.79319	0.6
58.41401	0.7
64.30692	0.7
65.54855	0.6
69.94024	0.8
70.25575	0.8
80.02707	0.7
87.87627	0.8
93.02932	0.8
93.03432	5.4
99.83338	0.8
108.02187	7.8
122.03732	18.0
132.87601	0.7
135.00905	1.2
136.01659	4.4
142.59480	0.9
150.03235	52.9
165.05566	100.0
226.40514	1.0
239.70232	0.8
276.64438	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.26363	0.3
53.73006	0.3
55.95834	0.3
61.44802	0.4
62.93081	0.3
70.82093	0.4
70.88146	0.4
91.05547	2.5
93.03468	2.1
108.02191	2.3
109.02943	0.6
121.02960	58.6
123.04519	0.8
128.82590	0.4
129.32314	0.4
133.02985	0.6
134.03751	100.0
135.04547	15.8
136.80705	0.4
148.51352	0.4
149.06096	46.0
150.16081	0.3
255.68996	0.4
271.09705	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	271.098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31073	1.3
52.59984	1.2
53.42846	1.0
53.55329	1.3
55.15698	1.2
59.01387	12.2
60.59670	1.5
93.03449	20.4
108.02188	6.3
119.05005	6.1
122.03693	6.7
124.68689	1.6
125.02415	2.1
135.04529	100.0
143.01395	1.9
148.92358	1.7
150.03265	16.6
151.00363	3.3
163.78358	1.8
165.04337	1.7
165.05600	27.3
174.16748	1.5
191.58551	1.6
205.11902	1.8
214.99857	8.9
217.01968	1.5
241.05028	1.7
242.99371	6.9
271.06201	10.2
271.09753	21.3
271.15463	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
55.50463	0.9
65.03963	1.4
69.12261	1.1
81.92590	1.2
88.38460	1.1
91.01898	5.4
107.01443	1.2
108.02167	1.2
109.02968	9.1
122.03748	47.6
124.01665	1.7
135.00893	7.2
136.01689	1.6
149.02454	5.9
150.03241	100.0
151.89583	1.5
153.02028	2.8
163.04022	4.7
165.05626	2.1
204.08536	1.4
235.77165	1.1
261.20880	1.3
271.09796	96.5
271.94525	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57759	1.0
50.80010	1.0
59.01386	1.9
71.38416	1.1
91.05576	2.4
92.10949	1.0
93.03477	1.6
95.05024	1.3
95.56277	1.0
96.77166	1.1
108.02181	5.7
109.02947	9.5
110.78128	1.3
121.02956	45.6
122.03740	31.0
123.04537	5.5
124.01681	1.9
133.02962	10.5
134.03748	26.2
135.04524	19.7
137.02480	10.4
141.95268	1.4
145.02942	1.5
147.04530	3.0
149.06097	1.6
154.02711	6.8
157.08672	1.2
162.40730	1.4
163.04015	2.8
181.55812	1.3
192.07921	1.8
220.07466	1.7
235.09813	2.8
235.13376	1.4
250.22302	1.3
253.14474	1.2
255.06691	5.2
271.09805	100.0
271.15793	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	271.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01388	9.9
59.01665	1.0
63.02410	13.1
64.37830	0.9
65.00332	20.0
68.66206	1.0
77.34916	1.0
82.72773	0.9
83.01397	14.8
84.39532	1.1
91.74831	1.0
92.10674	1.7
93.03458	14.4
102.51604	1.2
107.01396	35.4
119.05025	100.0
119.82241	1.1
135.04480	2.1
145.02852	3.4
150.99158	2.6
151.00375	63.6
165.01942	4.7
169.01434	4.1
177.01964	10.9
177.05573	5.1
187.04013	2.5
191.03488	1.2
214.99968	1.4
220.07420	4.7
271.06143	86.6
271.09088	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	271.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	0.3
65.83956	0.3
66.12035	0.3
69.28573	0.2
85.52925	0.2
87.00867	0.3
92.96485	0.3
108.02163	1.2
109.02960	100.0
271.08371	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0826
Annotation	Arbutin
Peak:m/z	Relative Intensity
56.66531	0.3
59.01385	0.3
75.38882	0.3
80.51341	0.3
87.00900	0.4
92.66121	0.3
93.73513	0.3
101.86137	0.3
108.02187	1.4
109.02965	100.0
173.59062	0.3
271.08301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0618
Annotation	Garbanzol
Peak:m/z	Relative Intensity
52.16437	0.7
58.80684	0.7
59.01390	3.7
91.01897	10.9
92.10163	2.0
92.65848	0.7
125.02425	1.6
134.03740	1.9
135.00902	11.9
135.04532	100.0
153.01950	15.1
156.19753	0.9
201.97839	0.9
236.74579	0.9
271.06155	18.0
271.15311	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	271.0615
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54377	0.2
54.00394	0.2
61.97496	0.2
62.78279	0.2
65.64349	0.2
67.06770	0.2
70.28727	0.2
79.47941	0.2
83.18657	0.2
91.01900	14.2
107.05047	0.9
109.02959	0.3
117.03441	0.2
134.03751	2.3
135.00916	16.4
135.04535	100.0
153.01955	13.2
161.02377	0.3
165.05652	0.2
214.99933	1.1
225.05742	0.3
229.50905	0.3
242.99402	0.4
252.32501	0.2
253.05264	0.3
271.06155	14.3
277.08627	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
54.61100	3.6
59.01384	18.6
68.90350	3.8
70.87375	4.0
82.26458	4.5
88.98843	5.6
92.10177	9.6
93.03470	19.7
95.68041	4.2
99.90047	3.9
102.58695	4.5
107.05035	5.0
133.02995	24.0
180.05835	8.4
193.06573	16.9
195.08176	10.6
221.06120	19.9
222.06877	37.8
237.09267	10.1
237.61520	4.7
238.06342	17.6
239.07140	100.0
253.08752	69.6
254.09386	6.5
269.09158	6.7
269.11847	60.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1185
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41790	0.7
57.31887	0.6
59.01387	1.3
72.78799	0.7
80.60194	0.8
93.03475	10.0
106.04293	1.8
108.02195	1.7
119.05024	21.2
121.02962	1.8
123.04535	1.0
132.05809	1.2
133.02957	28.4
133.06593	5.0
134.03758	1.1
145.48665	0.7
147.04535	19.1
148.05325	46.4
148.35020	0.7
149.06088	1.0
163.07661	100.0
184.13120	0.8
187.20683	0.8
225.05746	0.9
226.06323	1.3
254.09528	0.9
269.11871	74.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.176
Annotation	Unknow
Peak:m/z	Relative Intensity
55.99788	3.0
57.03451	4.2
57.30530	2.6
59.01390	18.6
59.30748	2.6
68.28397	2.9
71.05037	5.1
72.02174	3.8
72.90899	3.8
87.04516	100.0
87.96856	3.7
99.04539	7.5
124.80830	3.0
207.17548	5.5
212.72527	3.4
257.17627	3.5
269.17612	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	270.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
59.34688	0.4
59.74018	0.4
71.01382	5.9
78.91883	2.0
78.95904	55.6
92.10092	0.6
96.96958	100.0
99.00875	1.6
112.98838	0.8
115.00375	0.5
121.80857	0.5
124.98827	3.9
137.48514	0.4
142.99872	37.8
166.64980	0.5
173.00926	13.2
175.78282	0.5
179.24197	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0823
Annotation	2',4'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
54.30687	0.8
61.59548	0.8
91.01891	26.5
92.02664	1.2
95.01380	5.2
108.02194	17.4
109.02981	1.3
119.05034	2.3
133.02916	1.8
135.00876	15.3
145.03027	1.3
148.01692	73.7
152.52461	1.0
153.01930	6.1
156.08530	1.0
159.27475	1.0
180.00679	25.1
184.05255	1.1
200.36179	1.0
200.41072	1.2
227.07137	4.1
253.05074	2.3
254.05911	19.8
255.03117	1.9
255.10289	1.4
269.08249	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0821
Annotation	Vignafuran
Peak:m/z	Relative Intensity
55.42359	1.0
59.01392	7.9
87.82468	1.1
101.14465	1.3
109.02956	2.8
119.05054	1.4
121.02957	8.0
122.03745	59.0
124.01682	5.5
125.21754	1.2
137.02449	12.5
147.04536	48.2
148.01707	1.8
154.02725	16.1
173.09909	1.5
184.99913	1.4
251.06177	1.4
254.05959	1.9
269.08246	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.082
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78691	0.6
58.78456	0.7
59.01386	2.0
61.01824	0.8
83.81287	0.7
89.66290	0.7
93.59167	0.8
107.01400	1.0
108.02182	10.5
110.12467	0.7
117.03477	9.0
119.05014	6.1
123.04491	1.4
133.02980	1.1
133.06613	1.1
135.00893	1.1
136.01659	3.7
145.02980	9.1
148.01636	1.4
149.04422	0.9
161.02443	7.5
180.00731	1.0
184.05269	1.1
209.06120	3.9
211.04027	4.6
212.04768	1.1
225.05615	16.0
226.06348	4.0
227.07092	5.2
237.05560	6.4
253.05081	78.3
254.05875	16.1
269.08215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0824
Annotation	7-Hydroxy-3',4'-methylenedioxyflavan
Peak:m/z	Relative Intensity
59.01408	4.6
61.16828	2.1
63.53539	2.0
66.98842	2.1
89.03989	3.0
91.05560	12.5
93.03482	3.2
95.05028	4.8
105.19640	2.5
106.04269	2.6
107.05058	10.3
116.99719	2.4
119.05054	12.7
121.02948	18.4
123.04520	17.5
133.02969	39.0
134.02773	3.2
134.03754	86.6
135.04507	40.3
147.04536	14.0
148.01736	3.5
149.02492	3.3
161.02443	16.5
162.03241	65.9
163.04033	46.3
166.98232	2.9
258.17368	2.8
267.56372	2.6
269.05237	5.6
269.08209	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1186
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01399	3.5
62.96002	1.5
64.13929	1.6
75.00870	2.3
77.76018	1.6
93.03458	15.0
109.02929	3.4
121.02936	2.2
133.02966	31.8
135.50914	1.9
145.03001	2.2
169.06540	3.0
174.55502	1.9
195.08160	7.6
197.06133	3.4
210.06900	3.0
224.04813	3.4
237.05678	7.5
238.06387	12.1
239.07169	100.0
244.40231	1.8
253.08733	53.4
254.09366	7.3
269.11880	91.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0458
Annotation	Genistein
Peak:m/z	Relative Intensity
59.01381	3.6
61.01800	0.5
65.69089	0.5
69.90291	0.4
86.93008	0.6
108.61670	0.5
110.87423	0.5
114.03708	0.6
118.40971	0.5
148.01694	0.5
153.07042	0.6
163.80077	0.5
169.06593	12.4
182.27090	0.5
183.16731	0.5
185.06140	1.1
196.05287	1.2
197.06111	47.0
198.03268	2.0
213.05624	13.2
226.02734	3.8
226.06456	0.5
239.03571	2.9
241.05099	39.9
242.05292	0.5
269.04593	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0822
Annotation	Pterolinus B
Peak:m/z	Relative Intensity
59.01398	4.1
59.70222	0.9
68.28016	1.0
73.93324	0.9
75.00889	1.1
76.03693	0.9
80.47162	1.0
91.01896	28.5
92.10712	1.4
108.02200	8.1
110.55990	1.0
119.05022	32.5
128.67798	1.2
135.00874	13.6
148.01685	26.5
153.01991	8.6
174.77905	1.1
180.00661	18.2
184.05324	5.5
211.04018	7.2
212.04820	10.6
225.05684	1.5
226.06477	1.2
227.07166	25.1
253.04907	1.2
254.05884	9.9
269.08231	100.0
270.08487	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1028
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
52.59533	2.1
54.54745	2.4
59.01387	31.8
66.79185	2.5
84.37894	2.6
106.04257	45.1
108.02222	5.0
130.66975	2.8
142.73700	2.9
155.19408	2.7
156.23674	2.9
210.41380	3.7
220.41284	2.8
252.07870	4.5
267.10315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1241
Annotation	Pectinolide B
Peak:m/z	Relative Intensity
54.27802	0.6
59.01387	100.0
60.06982	0.8
60.19122	0.7
61.28065	0.7
63.01320	0.7
102.36231	0.8
120.75479	0.8
135.04561	1.0
145.68987	0.8
166.46004	0.9
223.13383	8.6
267.12442	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
58.36124	0.4
59.01381	1.1
63.59050	0.4
65.51376	0.4
73.04294	0.4
76.58106	0.4
79.95741	2.2
88.34336	0.4
96.96008	100.0
143.40706	0.5
205.16019	3.8
265.14816	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.2174
Annotation	(R)-hydroprene
Peak:m/z	Relative Intensity
52.52778	0.6
59.01387	3.0
79.68324	0.8
82.64434	0.7
94.03084	0.7
96.95998	1.2
144.68707	0.8
162.37589	0.8
177.33153	0.9
205.16014	1.7
265.21765	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0724
Annotation	formycin b
Peak:m/z	Relative Intensity
55.01888	1.8
57.03278	0.5
57.03463	8.6
59.01387	44.6
59.01691	1.4
71.01383	50.6
72.99300	6.1
75.00869	20.2
83.01404	1.1
85.02963	48.6
87.00887	18.2
89.02457	14.9
91.04014	1.5
95.01398	7.1
99.00890	14.0
101.02454	0.8
103.00384	3.6
109.59393	0.8
110.06694	0.8
113.02460	52.6
115.00384	2.0
117.01975	4.6
129.01981	1.5
132.06793	0.8
149.04568	1.2
175.02516	1.6
207.05197	1.2
221.65660	0.8
249.06197	4.9
267.07248	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2019
Annotation	KDC 165
Peak:m/z	Relative Intensity
53.03209	1.9
54.21414	2.1
56.86716	1.9
57.38817	1.9
58.48577	2.1
58.65318	1.9
59.01382	2.5
60.95963	1.9
63.87212	2.4
70.65158	2.1
71.01411	2.8
71.61326	2.5
73.81827	2.0
83.09939	2.0
87.28149	2.1
145.26373	2.4
200.58466	2.2
204.98691	2.3
263.20233	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.0931
Annotation	tubercidin
Peak:m/z	Relative Intensity
53.87138	1.0
55.01877	1.0
56.41739	0.9
57.03445	4.9
58.00592	1.1
58.86431	0.8
59.01385	67.0
71.01379	29.7
72.99318	1.5
73.02942	7.5
82.42271	1.1
83.01415	1.2
85.02953	32.3
87.00874	4.1
89.02442	29.6
89.56250	1.1
95.01401	1.8
99.00845	1.6
99.04515	1.5
100.70737	1.0
101.02437	16.7
103.04012	41.3
112.71534	1.0
113.02473	9.1
117.01926	11.8
119.03477	11.9
120.04836	1.0
133.05074	5.8
133.23575	1.1
205.16000	2.4
246.40358	1.0
265.09308	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1083
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54615	0.8
53.24288	0.9
56.08642	0.9
59.01400	4.7
65.15824	1.0
108.02194	4.9
116.38190	1.1
121.06599	1.9
123.00930	1.2
124.01665	1.6
134.03767	1.9
135.08176	5.0
136.01669	9.7
139.00447	1.4
140.01146	1.4
141.15883	1.3
149.02522	2.2
149.06094	39.0
149.61440	1.1
149.99658	5.4
150.03244	2.0
151.92340	1.1
152.01187	15.4
162.03258	1.1
163.07608	7.8
164.01175	4.4
167.07196	7.6
177.99057	9.6
178.02795	1.5
179.07152	52.5
180.00610	11.1
184.00217	1.1
189.05690	2.0
190.01421	1.1
191.07143	12.9
192.00642	22.0
205.16043	6.9
206.02193	9.0
206.05862	10.5
207.03242	7.5
207.06656	88.0
217.05113	4.3
219.06631	3.8
221.08215	4.3
222.09015	9.8
235.06145	86.1
250.08488	100.0
265.10855	25.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65200	0.3
59.01375	1.3
63.56737	0.3
79.95726	2.5
95.95231	0.5
96.96008	100.0
164.24323	0.3
171.13821	0.3
198.33412	0.3
205.16022	0.6
232.75041	0.3
265.14825	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.057
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82977	1.0
55.01883	0.9
57.03451	7.4
57.29836	0.8
57.83500	0.9
59.01379	1.7
62.69472	0.9
68.05059	1.1
69.03464	10.4
70.02969	1.0
70.27746	0.8
71.01388	4.2
71.28004	0.9
75.00884	0.9
82.02990	1.9
83.01402	1.2
83.05038	0.9
85.02955	92.9
86.02497	1.4
87.04527	8.9
89.26400	1.0
94.02985	1.0
96.04552	100.0
97.02958	15.7
98.02495	1.4
99.00880	6.5
109.02991	1.2
110.02470	1.1
111.04518	4.0
112.04066	6.1
114.01964	1.3
115.04008	3.9
116.03569	1.0
120.94415	0.9
122.02438	1.3
126.05618	1.6
128.03511	4.4
129.01944	16.8
140.03551	8.1
141.01961	5.7
142.01479	2.1
144.03001	1.2
154.04228	1.2
158.04599	16.0
159.02969	1.7
172.02512	1.4
200.05643	3.8
201.03894	1.2
219.05118	1.4
249.44180	1.1
259.64905	1.1
262.05750	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	263.1293
Annotation	Epoxycantabronic acid
Peak:m/z	Relative Intensity
55.76192	4.1
57.03437	4.2
59.01380	41.4
83.04971	5.2
85.68392	5.1
92.10689	5.6
92.46758	5.1
95.07706	4.9
109.06658	8.8
111.04530	7.6
122.03739	25.5
125.06091	27.5
133.98891	5.9
136.05324	18.8
137.06157	7.5
138.06871	26.0
139.07658	32.5
148.05328	19.2
151.07634	90.4
152.04799	6.2
152.08461	44.1
153.09184	10.2
159.11871	5.7
163.07730	30.6
173.69237	5.2
176.52509	5.3
189.09227	11.1
201.12901	34.8
203.10869	39.5
204.11562	92.0
219.13928	100.0
233.94878	5.8
263.12897	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	259.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.67648	0.4
59.01412	0.6
60.42004	0.4
61.24275	0.4
62.16981	0.5
69.60448	0.4
77.67575	0.4
80.02699	2.6
80.28849	0.4
81.03472	2.7
83.05029	7.7
84.02160	6.0
84.14281	0.4
85.54267	0.5
95.05050	1.8
98.77326	0.5
109.75556	0.4
125.06108	1.0
135.08153	1.1
160.81326	0.4
163.11305	6.1
165.12862	4.0
181.12424	0.9
191.10791	1.2
209.11874	100.0
210.12177	0.8
227.12894	8.2
252.99303	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
53.62862	0.8
55.01907	1.7
57.03453	10.0
57.86852	1.0
58.12182	0.9
59.01393	1.2
65.03281	1.0
69.03468	10.8
70.02992	1.4
71.01389	6.5
72.15339	1.0
73.02965	1.3
82.02992	1.5
84.04571	1.2
85.02952	87.4
86.02474	1.4
87.04050	1.2
87.04506	9.4
96.04546	100.0
97.02931	19.1
97.69482	1.3
99.00893	6.8
111.04537	2.0
112.04068	6.0
115.04031	5.0
128.03519	5.8
129.01939	16.8
135.03030	1.2
140.03523	7.6
141.01950	2.6
158.04619	16.3
159.02998	1.5
159.25618	1.1
172.07333	1.2
200.05612	2.2
219.05084	2.7
262.05704	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	259.0224
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
53.89954	0.6
56.41121	0.5
57.03466	3.9
59.01388	1.2
71.01382	2.9
71.05030	0.9
73.02959	1.0
78.95909	100.0
84.55176	0.7
87.00903	3.7
93.03481	0.9
96.24943	0.6
96.96967	67.4
99.00881	4.1
99.01521	0.6
99.04545	6.5
101.02493	1.0
106.62262	0.6
112.98841	4.4
115.04066	0.7
127.59237	0.6
138.98053	3.8
139.50208	0.6
142.99879	1.0
143.03476	2.6
161.00960	4.9
161.04572	18.1
181.31052	0.7
199.00238	0.8
206.73851	0.6
241.01158	1.3
259.02258	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	259.0824
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00929	3.8
55.01903	23.7
57.03477	7.6
59.01388	89.9
60.90884	4.0
71.01387	100.0
73.02965	33.7
78.95932	26.3
81.03468	5.3
83.01418	19.0
85.02976	52.3
92.65847	4.4
93.03421	4.6
95.01390	4.5
97.02975	6.8
99.00890	11.0
101.02460	58.1
113.02488	25.5
137.02470	5.4
161.04591	20.9
225.24402	4.7
259.08136	9.1
267.98706	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	257.2124
Annotation	2-hydroxypentadecanoic acid
Peak:m/z	Relative Intensity
55.01873	0.7
61.98834	0.7
62.69207	0.7
72.92824	0.6
113.60509	0.8
138.10091	0.7
141.90799	0.7
183.17455	0.9
207.17545	1.0
209.19182	5.9
211.20709	89.5
219.84547	1.4
221.84300	3.3
239.20155	1.2
257.21252	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	259.0228
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32806	0.2
54.83214	0.3
59.01386	0.4
61.10610	0.3
63.19770	0.2
78.95903	100.0
96.96959	50.4
101.02410	0.3
128.08319	0.3
138.98053	3.5
168.99081	1.2
198.90520	1.9
199.00116	1.7
214.93802	0.6
240.91646	1.1
241.01248	2.2
258.92767	2.1
259.02255	21.0
264.37067	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1028
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01383	0.5
60.64724	0.2
79.12141	0.3
85.74944	0.3
86.47290	0.3
93.03461	0.7
95.05045	1.4
105.03474	0.3
106.04237	7.0
108.02170	2.9
117.03436	0.3
121.02305	0.2
121.02949	14.7
123.04529	7.1
133.02959	100.0
134.03775	6.2
138.03253	0.4
147.04556	1.1
147.14243	0.3
152.91872	0.3
166.27240	0.3
167.74556	0.3
196.62158	0.3
225.05615	0.6
239.07155	6.5
240.07933	2.2
255.10295	69.8
255.23317	1.3
256.10547	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.103
Annotation	Unknow
Peak:m/z	Relative Intensity
57.73845	0.3
58.32830	0.4
58.33138	0.4
59.01404	0.7
60.26959	0.4
75.14134	0.4
77.01341	0.4
87.22027	0.4
89.25045	0.5
93.03493	0.5
95.05045	0.8
105.03436	0.4
106.04264	7.6
108.02218	2.7
110.11969	0.4
116.73610	0.4
121.02974	13.8
123.04530	7.0
133.02972	100.0
134.03786	5.7
138.03287	0.5
147.04564	0.8
189.19252	0.4
225.05606	0.9
229.01067	0.5
239.07182	6.5
240.07965	2.6
255.10315	64.0
256.10657	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0821
Annotation	Cochinolide
Peak:m/z	Relative Intensity
63.36054	0.3
65.03967	9.5
66.27343	0.3
69.31853	0.3
69.39125	0.3
91.01886	3.0
93.03458	4.6
107.05038	17.1
108.02179	0.4
109.02964	13.4
122.03712	3.0
125.08273	0.3
135.00876	3.0
150.03209	1.6
151.04022	100.0
153.01933	1.6
163.04027	0.8
183.87056	0.3
257.08240	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	255.0514
Annotation	Unknow
Peak:m/z	Relative Intensity
64.58989	0.5
64.74638	0.6
69.85295	0.5
87.00877	16.6
93.15075	0.6
108.02167	0.7
121.02912	0.7
122.03732	3.1
123.04522	100.0
125.05826	0.6
148.05307	1.3
149.06087	26.2
150.03258	4.7
151.04016	1.0
152.91853	0.9
165.05585	13.3
175.04047	1.1
193.05096	12.6
194.92793	1.1
195.03003	14.6
215.90796	0.7
219.03072	0.7
237.04054	1.0
255.05125	41.5
257.24698	0.7
272.13062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.0664
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
53.22495	0.3
59.01385	1.7
61.01793	0.4
76.38207	0.3
77.60197	0.4
89.20590	0.4
91.01888	22.2
119.05023	100.0
135.00880	21.8
145.03017	0.6
149.02472	0.6
153.01936	16.1
255.06653	30.7
255.23323	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	254.9591
Annotation	Unknow
Peak:m/z	Relative Intensity
55.65904	0.2
57.28846	0.2
59.01381	1.3
62.88089	0.2
68.94461	0.2
69.52126	0.3
75.77248	0.2
78.95901	100.0
96.96960	2.8
98.84811	0.2
138.94632	0.3
149.74423	0.2
150.94749	0.6
152.91670	2.8
152.92839	2.5
155.02480	0.2
156.91261	2.7
167.90463	0.5
194.93848	26.2
198.90485	1.8
200.90305	1.2
212.94981	3.7
218.86864	9.2
236.87958	5.8
236.94868	3.2
240.46843	0.3
253.78850	0.3
254.88992	0.4
254.95940	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	253.0872
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01385	55.4
71.01390	1.0
71.10703	0.7
73.02962	0.8
74.09398	0.7
85.02948	0.7
92.10783	0.8
93.03497	0.8
101.02486	1.9
106.04258	24.7
108.02171	6.2
109.02967	1.9
117.03488	3.7
118.67477	0.7
119.05028	1.5
121.02951	1.5
122.03766	1.9
127.70313	0.8
138.03209	1.3
146.03752	1.7
147.04555	7.2
149.02475	2.0
161.04497	1.5
173.05319	0.9
181.60535	0.7
187.91245	0.8
193.07182	8.0
238.06407	1.0
242.36848	1.0
253.08733	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	253.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	100.0
68.36247	0.4
69.03454	0.7
71.01391	0.7
73.02956	2.7
81.89565	0.4
83.01384	0.5
84.44347	0.4
85.02953	2.1
87.00853	1.9
95.01372	0.6
97.02956	0.7
99.00894	1.5
101.02443	3.1
125.02496	0.7
134.75060	0.4
146.04727	0.4
150.66756	0.5
155.84306	0.4
161.04570	5.7
193.07198	14.2
249.96736	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0931
Annotation	Unknow
Peak:m/z	Relative Intensity
54.94049	0.3
56.55730	0.3
59.01385	100.0
61.37660	0.4
69.03441	0.4
69.97390	0.3
71.01394	1.7
73.02953	2.1
83.01379	0.5
85.02960	2.4
87.00876	1.8
92.10184	0.4
93.37273	0.4
95.01375	0.4
97.02927	1.5
99.00899	1.8
101.02456	3.1
125.02441	0.8
131.45816	0.4
141.01953	0.4
155.03560	0.5
157.32019	0.3
161.04588	6.5
193.07178	18.2
203.89149	0.4
208.67688	0.4
231.93939	0.3
243.73730	0.4
243.98567	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1705
Annotation	5-Hydroxy-8-methoxycalamenene
Peak:m/z	Relative Intensity
51.04551	0.7
59.01394	3.4
62.60212	0.7
63.90323	0.8
68.55548	0.7
83.59386	0.8
89.22794	0.8
102.49220	0.7
121.02953	1.1
132.98206	1.6
163.03050	0.9
165.01932	1.0
175.79605	0.9
186.95627	5.4
188.67259	0.8
244.39305	1.0
247.17050	100.0
248.17345	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.0724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34035	0.5
55.03049	0.5
59.01384	1.1
66.46086	0.6
71.01391	9.4
88.04045	100.0
90.56948	0.8
91.05541	4.3
92.10821	0.8
114.01989	5.7
115.00378	16.8
132.03033	87.1
135.04533	2.7
206.08359	1.6
250.07211	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	251.2016
Annotation	Hugonianene B
Peak:m/z	Relative Intensity
59.01401	7.2
59.47306	1.1
70.23711	1.1
78.78929	1.2
87.00857	1.4
91.01890	5.5
104.34509	1.2
134.76682	1.1
144.77466	1.3
154.34279	1.3
251.20187	100.0
252.20589	1.5
262.61478	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83316	0.6
56.02110	0.6
57.03460	4.2
57.31194	0.6
59.01384	33.0
62.39034	0.5
69.62674	0.6
71.01385	0.7
72.68693	0.6
80.73381	0.6
81.03471	0.9
83.01384	5.7
85.02960	6.3
87.00874	100.0
91.98316	0.7
93.03442	6.1
95.05053	1.5
101.02421	1.2
108.02184	18.9
114.40451	0.8
119.05074	0.7
121.02961	25.2
122.03768	1.0
123.04513	17.1
127.86356	0.7
130.99849	0.9
134.13756	0.9
137.06082	3.6
147.04550	1.2
147.16612	0.7
154.72942	0.6
161.04594	1.2
165.05586	16.3
176.67549	0.7
193.07120	5.6
198.60580	0.7
249.40967	0.7
253.03531	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.0461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01891	1.2
55.81540	0.8
56.15093	0.9
56.45262	0.9
57.03464	2.3
57.49154	1.0
59.01398	6.4
64.35100	1.3
67.00609	0.9
67.84353	0.9
68.99580	7.6
69.03456	1.4
71.01401	5.0
71.05014	9.1
71.68678	1.1
72.99322	5.1
73.02965	7.3
73.27127	1.2
77.31657	1.1
79.95753	1.0
80.96521	1.2
81.59018	1.2
85.02979	4.4
87.00879	21.7
87.04513	7.5
95.05024	2.2
96.96011	96.6
97.03010	1.6
97.06600	1.2
99.00882	14.2
99.04528	1.3
101.02471	2.0
111.00894	16.2
112.98595	5.9
113.02444	1.4
115.04022	97.4
115.92099	1.0
118.96623	2.6
123.04533	1.7
127.04017	1.4
132.98241	2.2
141.05602	16.6
142.96690	1.3
149.00909	9.4
149.04616	1.5
159.03006	100.0
160.97729	4.5
163.02457	1.2
174.30365	1.1
185.04565	6.7
186.95651	2.1
190.98813	1.3
246.97672	2.4
247.04756	1.6
247.08205	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	247.0823
Annotation	Unknow
Peak:m/z	Relative Intensity
58.78061	0.5
59.01383	70.6
68.85309	0.4
71.01382	2.3
71.05014	5.7
80.49524	0.5
81.31220	0.5
85.06608	1.0
87.04525	3.6
91.37357	0.5
92.10748	0.8
97.95921	0.5
99.04514	19.1
99.08167	3.6
103.00371	12.7
104.36034	0.5
108.91236	0.6
113.06189	0.5
115.04011	11.0
115.04781	0.7
115.07679	1.9
117.05572	13.3
143.07156	4.2
161.08197	100.0
172.41180	0.5
186.95619	0.7
203.09274	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1188
Annotation	oscr#9
Peak:m/z	Relative Intensity
53.41942	0.6
56.55816	0.6
56.66602	0.6
59.01384	5.8
66.97499	0.6
72.99318	11.7
73.02905	0.8
75.00873	100.0
83.57790	0.7
85.01202	0.9
87.00883	1.8
90.97135	1.2
96.95999	10.6
104.26540	0.7
111.00942	1.2
113.06092	1.3
113.50564	0.7
115.00372	0.8
115.04022	4.4
127.04024	0.7
131.03485	0.9
132.98257	3.1
153.09262	1.4
159.03000	4.9
186.95674	8.4
247.11908	93.6
253.05428	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1966
Annotation	2-Hydroxymyristic Acid
Peak:m/z	Relative Intensity
53.89025	2.6
54.82891	2.9
58.18159	2.5
59.01398	3.2
61.98841	25.9
63.00323	2.7
67.01911	4.7
69.90171	2.8
81.69604	3.0
87.88933	2.9
99.92566	3.4
108.33862	2.8
111.00763	3.0
116.92887	3.7
189.10274	3.1
195.17393	6.1
197.17313	4.0
197.19128	100.0
198.19154	3.1
243.19650	92.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0285
Annotation	Unknow
Peak:m/z	Relative Intensity
57.47360	1.9
59.01388	3.5
61.98850	1.9
66.43202	1.5
73.03804	1.8
80.05061	3.2
92.10197	3.5
96.04555	11.3
106.23553	2.0
110.06133	23.8
112.99401	2.1
113.00672	2.8
120.66434	2.2
122.06132	35.8
128.01764	100.0
156.04904	65.5
163.54692	2.0
200.03914	23.7
244.02837	60.1
251.70462	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	245.0435
Annotation	Glycerophosphoglycerol
Peak:m/z	Relative Intensity
59.01392	100.0
63.67641	2.9
71.01388	35.9
72.99331	5.1
73.15718	2.9
78.95911	51.6
83.01407	2.9
86.41650	2.7
89.02442	48.7
96.96992	6.4
101.00964	6.1
101.02448	64.7
103.42220	3.2
113.02457	4.5
117.00471	12.8
119.03492	82.5
127.00367	3.3
135.65482	3.2
141.00455	20.1
152.99582	26.4
158.98785	3.0
171.00642	15.7
184.99434	26.2
209.06728	43.0
227.00546	16.3
245.04343	72.1
259.05908	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	246.0257
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02999	0.3
56.77591	0.3
59.01387	0.8
61.98839	100.0
62.95769	0.3
66.54012	0.3
86.08534	0.4
93.61251	0.5
110.00095	0.4
111.00882	2.0
115.50163	0.4
124.01701	3.0
127.00354	0.5
130.08733	0.5
132.76723	0.4
136.98805	0.7
137.31714	0.3
139.00401	2.7
140.01149	3.5
168.00668	4.9
183.03006	56.5
268.71286	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.9774
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44006	2.1
54.09757	2.3
55.01881	2.9
59.01384	63.5
70.76884	2.6
71.01402	19.1
71.33634	2.8
72.99306	100.0
72.99687	4.7
78.95911	28.2
83.01403	3.9
87.00883	13.6
89.02435	20.6
90.97141	17.9
96.96960	11.1
99.00892	5.2
101.02435	26.3
108.93753	5.3
117.00463	5.5
118.96627	80.8
119.00191	6.5
119.03533	23.4
125.01038	3.2
127.97726	2.9
128.89241	9.7
130.96625	23.7
132.58456	2.8
132.98206	65.7
142.96640	19.4
143.00198	3.3
146.96109	21.1
148.97687	35.3
149.00902	31.5
149.04575	22.1
158.99716	3.9
160.97697	99.2
168.99930	12.5
170.96977	3.3
172.97659	6.8
184.97702	35.0
185.01500	2.6
186.99196	14.3
188.90292	3.5
188.97157	32.2
190.98772	45.6
202.98782	16.9
209.06651	14.0
210.70424	2.9
211.08368	5.1
228.96754	4.5
229.00250	6.5
246.97731	92.1
247.04115	26.4
264.44498	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	243.124
Annotation	9-Hydroxyhexylitaconic acid
Peak:m/z	Relative Intensity
50.48716	4.5
50.52255	5.3
54.83133	5.2
57.12960	4.8
59.01384	100.0
67.80758	5.1
71.23739	4.7
74.61996	5.2
79.39668	5.1
86.32070	5.3
87.51645	6.3
139.11310	10.8
181.12346	22.0
183.10260	70.6
189.36501	5.2
199.13329	6.3
200.81302	5.6
212.28806	5.7
221.16898	5.3
243.12308	57.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.124
Annotation	Pandangolide 1
Peak:m/z	Relative Intensity
53.68129	0.9
71.05020	3.2
83.05080	1.2
90.54213	1.0
93.35683	0.9
97.02970	4.7
97.06570	1.1
99.00876	9.4
125.09730	4.2
135.08182	1.1
140.19688	1.0
155.14398	1.4
156.01309	0.8
163.11345	6.9
181.12369	23.3
199.13429	30.7
207.10313	36.7
222.21361	1.0
225.11369	55.6
243.12402	100.0
244.12640	1.2
246.47308	0.9
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 1
Peak:m/z	Relative Intensity
59.01389	3.5
71.05009	3.3
92.10822	2.8
97.02946	6.2
97.06586	1.9
99.00887	16.5
109.06605	2.6
110.03764	3.6
125.09757	8.6
136.05388	1.8
142.02693	3.6
155.14439	3.0
163.11276	14.9
175.31047	1.5
181.12367	35.2
199.13420	26.7
207.10287	72.9
225.11343	93.4
243.12395	100.0
253.03908	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	241.0872
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
50.41353	1.3
55.01896	2.6
56.23181	1.5
59.01390	9.1
64.34687	1.2
65.01682	1.2
65.96115	1.2
71.01395	6.0
73.02927	1.5
89.02457	2.7
101.02419	5.5
143.05011	14.2
155.08661	3.1
157.06598	6.6
181.07239	20.3
182.07370	10.4
185.06104	9.9
195.08257	2.5
196.08911	2.8
197.06134	7.3
197.09749	10.9
199.07680	1.8
220.96622	1.5
225.05629	3.4
239.07146	1.8
241.00981	2.9
241.08730	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1083
Annotation	Phaeofuran B
Peak:m/z	Relative Intensity
53.76025	1.3
54.83485	1.8
55.01888	1.4
57.95529	1.5
59.01389	11.1
64.35452	1.8
69.03465	4.1
71.01385	11.1
71.05021	3.5
73.02939	2.8
81.03460	6.5
83.05025	21.4
83.07930	1.5
89.02439	3.7
101.02419	6.9
114.40685	1.6
128.65086	1.6
142.85840	1.7
153.12805	2.6
159.22227	1.9
179.10811	7.9
181.07175	32.4
197.11836	100.0
235.79721	2.0
241.10843	66.9
261.95526	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.0663
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
51.84782	1.5
59.17850	1.6
61.98852	2.3
69.03471	58.7
78.92455	1.8
79.01905	2.1
95.01414	4.6
97.02951	34.6
107.01393	17.3
108.02190	100.0
108.02890	4.1
109.02962	31.8
111.00903	2.2
121.02960	17.2
123.00931	10.0
125.02444	48.0
135.00903	42.9
137.02470	24.9
145.69997	1.9
152.01181	73.3
166.13199	1.7
169.06618	3.9
174.97826	2.3
197.06073	33.3
199.09805	2.4
207.10294	3.1
213.05624	4.6
215.07253	3.4
216.46965	1.9
221.23030	2.0
243.06664	32.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0563
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60956	1.5
71.60509	1.6
87.00875	16.6
92.10860	2.2
94.99029	1.8
106.04271	11.4
107.05033	52.0
108.02200	2.0
118.04333	1.7
121.02934	8.7
133.06610	26.5
135.04517	7.6
149.06100	57.2
165.09967	2.0
165.11319	1.7
177.05573	62.2
179.03513	99.5
195.06596	8.3
200.73160	2.0
221.04585	2.5
239.05632	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.0563
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.39929	1.6
59.01405	3.2
68.24012	1.9
74.06298	1.7
75.11682	1.8
77.26519	1.8
82.76986	1.8
87.00876	14.9
92.10022	3.9
93.03520	3.0
106.04285	10.0
107.05038	44.8
121.02950	2.8
128.20450	2.3
132.83255	2.1
133.06616	25.4
135.04553	4.3
149.06085	55.3
166.96992	2.3
176.19604	2.0
177.05597	65.2
179.03519	80.3
195.06595	9.3
239.05647	100.0
251.77202	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	235.0979
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01400	2.3
100.73678	0.3
109.46930	0.3
111.00892	0.5
118.04313	0.4
119.05032	2.4
126.08331	0.4
129.03493	0.8
132.84874	0.3
135.04541	0.8
137.02495	0.6
145.02977	1.8
146.03749	0.4
147.04552	5.0
149.02493	0.7
149.06137	1.7
161.02490	1.8
162.03128	0.5
163.04027	6.4
173.02444	2.9
174.03236	2.2
174.06932	0.5
176.04866	0.4
177.05595	100.0
178.05901	0.7
190.02730	0.6
191.03537	37.2
191.07083	1.4
192.07953	2.0
206.05905	2.7
220.07451	34.9
235.09816	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	236.1056
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24943	1.0
59.01400	2.2
59.81211	1.0
61.98862	5.5
73.64230	1.0
92.10075	2.3
132.30121	1.1
148.05341	18.8
149.09764	1.9
162.50868	1.0
165.72339	1.3
165.90033	1.1
169.60918	1.3
176.08450	1.6
177.09225	77.7
191.10851	1.1
192.11598	48.4
217.08655	5.0
218.09494	7.9
233.65680	1.2
236.10577	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0618
Annotation	Ketodeoxyoctonic acid
Peak:m/z	Relative Intensity
55.29906	0.5
57.03458	2.9
57.72100	0.5
59.01390	1.3
71.01396	0.9
78.95918	3.5
85.02968	1.3
87.00887	100.0
87.21445	0.6
88.19781	0.6
93.33133	0.6
129.01950	11.4
220.82591	0.6
237.06218	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	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09887	0.6
52.24844	0.6
55.11504	0.5
59.01387	28.0
59.62048	0.5
61.12860	0.6
65.67448	0.6
69.31364	0.5
74.53492	0.6
74.99072	8.7
75.00895	0.7
89.89274	0.6
91.02196	0.9
93.00150	5.1
93.03461	1.5
105.73167	0.8
125.58644	0.7
134.99408	9.5
136.97321	3.7
149.00974	77.2
149.44081	0.6
150.98907	0.9
159.08456	2.7
161.06427	5.0
173.04582	2.9
215.05750	0.9
217.07256	100.0
218.07439	1.0
233.10387	75.2
233.15321	5.2
234.10799	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.1037
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91321	0.7
59.01394	45.4
64.76263	0.6
67.01901	0.9
71.01402	3.1
74.63262	0.7
74.99069	6.2
75.00893	0.9
93.00140	6.0
93.03477	4.0
101.02435	1.2
111.99724	0.7
121.01713	0.7
134.56366	0.7
134.99400	8.9
136.97321	4.2
139.08766	0.7
146.00325	0.9
149.00972	79.6
150.00989	1.1
150.98868	1.0
159.08499	2.9
161.06393	5.6
173.04596	4.5
188.98579	1.4
199.76302	0.8
217.07254	100.0
218.07491	1.2
232.97549	1.1
233.00032	0.9
233.10374	69.0
233.15331	6.2
235.08267	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	234.0985
Annotation	CHEBI:133389
Peak:m/z	Relative Intensity
53.31617	0.7
57.30902	0.7
58.02984	0.6
58.13200	0.6
59.01392	2.7
63.44957	0.8
66.95722	0.6
71.05037	19.0
72.00933	1.3
76.58443	0.7
78.58586	0.8
86.02486	7.1
87.00895	3.5
92.10839	1.0
99.04527	5.7
101.02444	1.8
102.02826	1.3
104.03548	100.0
116.07178	1.3
132.03006	3.0
146.08260	15.3
147.03276	3.7
148.03636	12.3
158.08261	1.0
161.04391	1.0
188.09323	6.7
190.07040	4.9
205.86108	0.8
234.09865	70.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0304
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46761	1.6
51.80689	2.1
55.01899	3.2
57.03460	22.4
59.01390	74.9
60.00619	2.2
60.20359	2.0
62.43024	2.2
64.34747	1.8
67.01900	4.6
71.01389	69.9
72.00924	10.2
72.99321	4.0
73.02956	12.2
81.03443	3.3
83.01405	11.6
83.05031	4.9
85.02969	5.1
87.00868	9.9
99.00881	61.7
101.02444	71.6
107.33408	2.1
111.00895	27.3
112.98811	71.6
114.01998	3.0
114.23753	2.3
115.00351	3.8
127.04003	22.2
129.01918	17.9
138.92734	2.0
142.99841	3.8
143.03505	2.3
145.01436	100.0
160.02545	20.8
161.02847	9.9
171.03000	4.0
173.00961	5.4
230.31328	2.2
233.03093	3.6
233.06618	3.4
238.46295	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	233.0569
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82916	0.6
55.01890	0.6
57.03447	3.8
57.14880	0.4
57.26585	0.5
57.72874	0.4
57.86599	0.5
59.01385	15.9
62.73790	0.5
67.01904	0.7
69.56171	0.5
71.01376	6.7
71.05031	0.8
72.00924	2.8
72.99311	0.9
73.02952	3.7
75.00864	0.6
83.01377	1.1
83.05052	0.9
85.01231	0.7
85.02937	0.8
87.00857	2.6
93.03442	0.7
96.96074	0.5
99.00881	9.4
99.04537	0.7
101.01781	1.0
101.02443	29.2
104.03526	4.2
111.00906	5.2
113.02499	0.6
127.03990	6.0
129.01967	1.0
129.05597	1.3
131.03757	2.3
132.04565	1.0
134.94498	0.5
144.04527	3.2
145.01445	39.9
146.02477	3.1
146.08276	0.8
147.03273	100.0
147.06633	3.6
149.81889	0.7
159.03247	10.0
159.04448	0.8
160.04051	12.9
162.05605	1.1
171.03035	1.0
171.05650	0.7
172.04077	5.8
173.04817	12.4
189.06723	25.9
232.50105	0.6
233.05707	4.0
233.15463	1.1
234.09750	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	231.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
57.63318	1.6
59.01389	3.8
61.13850	1.7
64.34995	2.0
72.99332	2.0
73.03020	1.6
83.05051	2.1
95.05031	23.5
97.06599	93.8
99.08185	9.0
108.04552	2.0
114.00218	3.1
115.00495	3.2
115.07664	21.3
125.06093	100.0
125.07010	3.2
126.06433	2.2
137.29866	2.0
141.05598	12.1
143.03696	7.2
143.07156	77.2
169.05051	7.2
187.06137	51.6
213.03983	2.4
222.08527	1.9
231.01587	7.4
231.05122	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	232.0826
Annotation	Unknow
Peak:m/z	Relative Intensity
55.42282	0.7
55.48740	0.6
59.01408	0.9
66.68068	0.6
68.71188	0.6
71.01376	0.9
71.05039	1.8
72.00913	35.7
72.99316	11.8
76.58099	0.7
82.03092	0.7
86.02488	1.1
87.00855	0.8
98.02469	1.8
99.00872	1.2
101.02438	1.8
102.02016	1.8
103.10504	0.7
103.44650	0.6
104.03574	1.0
114.01957	10.1
116.03539	1.4
123.94555	0.8
123.95423	0.7
136.61844	0.8
138.39822	0.7
145.01431	3.5
147.03215	0.9
160.02525	100.0
180.77748	0.7
216.48219	0.7
232.08250	16.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0302
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01899	3.0
56.43365	1.2
57.03453	18.7
57.03680	1.4
59.01385	61.8
63.73215	1.1
67.01900	6.4
68.99831	1.5
69.82809	1.1
71.01382	56.7
73.02940	14.4
83.01379	11.8
83.05067	1.8
84.93871	1.2
85.02974	3.2
87.00893	8.3
99.00877	51.2
99.04537	2.1
99.92593	6.2
100.93400	2.3
101.02442	77.2
111.00883	23.4
112.98865	2.4
115.00388	1.9
115.92062	20.4
116.92850	3.0
125.88634	1.3
127.04036	14.5
129.01949	11.0
145.01439	100.0
147.06671	3.2
154.97569	1.2
171.03047	2.0
173.00920	2.6
212.14725	1.3
227.49181	1.5
241.73389	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	230.1035
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15031	1.4
58.67018	1.6
63.37129	1.5
66.11549	1.7
71.01392	1.6
71.05015	2.9
76.12513	1.6
76.83163	1.6
81.52853	1.8
98.06138	3.4
99.04544	9.0
107.35617	1.9
108.04587	3.7
126.05611	100.0
158.08241	42.5
230.10355	32.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.991
Annotation	Unknow
Peak:m/z	Relative Intensity
57.53111	0.4
63.51215	0.4
70.65812	0.3
71.01376	24.4
71.69635	0.3
72.99297	5.0
78.95908	1.5
87.00874	0.8
89.02462	3.0
96.96001	4.7
96.96962	1.6
115.00368	66.5
131.22972	0.4
133.01425	100.0
133.04953	1.1
151.52936	0.4
180.44855	0.4
203.64957	0.4
237.78029	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54522	1.2
59.01394	10.4
67.64372	1.3
72.99306	100.0
74.99374	11.2
78.95902	26.2
85.01472	7.6
96.97007	2.4
98.99365	3.3
101.00947	23.7
102.98869	19.4
103.15847	1.4
114.98901	2.3
115.00356	3.2
117.00441	85.9
125.00977	6.0
126.98871	61.1
132.98181	1.7
133.01437	8.4
141.00458	34.9
143.02028	6.4
144.99948	3.1
168.99950	70.3
170.89380	13.1
172.99431	47.5
188.90416	2.8
188.97127	2.9
198.67226	1.7
212.98949	29.2
218.86314	1.6
230.99976	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1292
Annotation	Cladospolide B
Peak:m/z	Relative Intensity
55.92875	1.5
56.85992	1.4
75.80872	1.4
75.89252	1.5
80.02687	1.9
82.96597	1.5
83.05032	10.2
84.02194	7.8
130.97601	2.0
163.11269	6.8
165.12917	3.4
183.00485	14.3
188.74854	1.8
209.11876	100.0
211.35912	1.9
227.12846	8.2
233.89726	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	229.0508
Annotation	2-Hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene)-but-2-enoic acid
Peak:m/z	Relative Intensity
51.85727	2.8
53.79948	2.9
103.17433	3.7
112.98281	3.5
125.29752	3.4
157.06598	100.0
171.04614	6.9
173.06107	7.7
183.04515	4.4
185.06104	14.0
201.05656	29.7
215.03535	33.1
229.05090	15.5
229.14441	8.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.0131
Annotation	Paracetamol sulfate
Peak:m/z	Relative Intensity
54.22675	0.9
66.57596	1.2
69.03488	1.2
73.01182	8.6
80.05068	1.6
81.39479	1.1
82.02982	8.3
96.04548	32.6
97.06599	7.8
98.99117	6.7
108.04559	38.4
114.00197	100.0
116.08457	1.3
121.08537	1.2
125.06107	8.0
142.03328	93.8
143.07175	5.8
168.48183	1.2
186.02307	32.1
187.06142	5.1
195.16512	1.5
196.12917	1.2
230.01314	68.5
231.05070	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	226.036
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48617	1.2
52.36242	2.0
59.01395	3.0
59.18239	1.5
67.01898	21.0
71.01389	21.8
90.13253	1.5
93.03487	3.3
110.02486	100.0
111.00882	19.8
115.00370	38.6
120.04506	2.1
164.03554	7.2
178.98802	1.6
182.04614	50.0
208.02576	6.3
226.03616	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	226.0359
Annotation	5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
52.23911	1.3
62.13652	1.6
67.01896	14.7
71.01385	21.3
76.18631	1.7
91.02518	1.5
93.03466	1.9
108.85816	1.5
110.02483	100.0
111.00910	16.4
114.38863	1.8
115.00377	33.2
117.77802	1.9
120.04527	2.8
120.19748	1.7
123.72923	1.8
133.01122	1.6
138.05569	1.6
164.03519	7.2
182.04611	43.8
187.49300	1.7
208.02519	3.9
226.03598	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0199
Annotation	Unknow
Peak:m/z	Relative Intensity
65.46318	0.6
67.01898	21.9
71.01379	29.8
74.97307	0.7
86.48698	0.7
99.00881	1.6
106.76674	0.7
110.02457	0.8
111.00883	100.0
111.04487	1.4
112.01190	0.7
112.98804	3.5
115.00364	9.1
131.43983	0.7
139.07689	0.9
145.68336	0.8
166.26820	0.7
183.04945	1.0
183.06523	0.9
226.99654	0.8
227.03798	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0717
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
53.75204	0.3
59.01388	0.4
62.06639	0.3
68.32788	0.4
70.51656	0.3
70.76806	0.3
71.76443	0.3
92.10787	1.1
93.03489	0.9
107.04980	0.5
115.05598	0.6
117.03490	2.4
119.05045	2.5
139.11349	0.6
141.07123	3.5
143.05043	37.6
145.02925	1.6
155.08632	0.4
157.06610	3.4
159.08171	7.9
180.05907	0.5
181.06575	3.1
182.07413	4.8
183.04568	0.4
183.08180	7.7
184.05258	0.8
185.06107	32.7
199.07512	0.4
199.13466	0.4
212.04918	0.5
225.05774	0.6
227.07185	100.0
227.12999	2.7
228.07529	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75510	0.8
54.06392	0.8
55.01887	1.5
59.01384	14.4
64.34927	1.0
69.03447	2.3
74.27435	0.9
81.03460	5.1
83.05033	3.8
84.02181	6.4
93.03458	1.9
95.05042	1.3
95.42663	1.1
97.02937	15.6
107.05014	1.1
107.11607	0.9
109.06596	48.7
110.03735	7.4
121.06593	1.3
125.09754	1.2
135.08224	8.0
136.05286	4.2
142.02739	7.4
161.09798	2.2
163.11304	26.7
179.10789	1.5
181.12343	17.5
189.09149	1.9
197.11984	1.3
207.10300	100.0
225.11356	85.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1134
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.18097	1.1
53.56741	1.2
59.01386	100.0
84.62514	1.3
135.08212	1.3
143.17642	1.3
147.08191	1.4
166.49799	1.3
167.86426	1.6
182.25644	1.6
191.55875	1.6
225.11357	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01894	10.5
57.03455	25.8
59.01382	45.9
67.43271	1.8
70.12230	2.2
70.97841	1.9
71.01395	13.4
72.99331	10.3
75.00891	10.3
79.61992	2.0
81.75881	1.8
83.01387	15.4
85.02953	100.0
85.03459	3.5
87.00890	3.3
101.02447	10.4
105.79212	1.9
111.00893	40.4
119.05017	7.8
121.02966	11.9
129.01942	32.6
144.47986	1.9
147.02972	7.4
163.03949	2.6
165.01880	2.4
179.07201	3.1
181.05045	2.3
192.64850	1.9
205.03499	38.6
208.03719	2.2
223.02647	3.8
223.04619	40.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0462
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01896	6.9
57.03465	24.2
59.01394	29.1
71.01393	15.4
72.99323	9.5
73.02968	1.8
75.00883	10.5
80.96535	1.7
81.03493	2.3
83.01398	12.7
84.02198	2.4
85.02959	100.0
85.95042	1.5
87.00887	7.2
96.96037	1.5
99.00821	2.5
101.02459	12.2
111.00890	37.9
125.02454	8.2
129.01941	37.6
147.02975	10.3
161.04587	1.4
179.03868	1.5
188.78053	1.4
205.03563	32.6
223.02596	2.9
223.04625	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	223.0613
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
59.01387	2.0
87.00856	17.8
89.58997	1.5
91.05533	100.0
117.07111	20.8
133.06596	33.1
134.16225	1.3
161.06099	48.9
163.02708	3.3
163.04022	74.2
179.07150	2.0
223.06151	69.4
242.07057	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	225.1135
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07376	1.7
59.01378	22.2
61.28008	2.5
67.62937	1.9
69.03457	3.5
71.01395	2.8
75.25220	2.0
77.54982	2.1
80.02711	2.5
81.03468	12.8
83.05019	4.3
84.02171	12.1
92.10779	5.0
93.03441	7.7
97.02950	13.4
106.39247	2.0
107.05077	2.3
109.06591	78.6
110.03743	4.3
115.98267	2.4
121.06598	3.3
135.08144	9.2
137.02406	4.9
142.02687	10.5
161.09677	4.0
163.11301	37.7
181.12370	16.3
181.59619	2.5
189.09230	2.6
207.10297	100.0
225.11349	42.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1548
Annotation	(-)-Kobusone
Peak:m/z	Relative Intensity
51.37091	0.5
52.00356	0.5
54.03761	0.5
54.28755	0.5
59.01387	33.0
71.01376	0.9
72.99346	0.5
73.02959	1.0
83.01418	0.8
85.02982	1.0
92.76693	0.6
95.07101	0.5
101.02436	0.6
103.60617	0.5
126.53925	0.6
133.02994	1.4
134.03766	0.9
137.52043	0.5
148.05331	2.6
149.06120	7.6
161.02455	2.7
161.04514	1.2
164.08347	1.2
177.05571	4.3
205.12340	1.3
206.12737	0.8
207.14111	0.8
220.14722	6.1
221.04578	0.9
221.15486	100.0
222.15794	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.046
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60831	1.2
55.01884	9.6
57.03453	31.2
59.01380	16.8
63.83159	1.1
64.09108	1.4
71.01380	13.8
72.99298	13.6
73.02951	1.4
75.00879	9.4
83.01392	14.4
84.02137	2.0
85.02953	100.0
87.00903	1.8
92.10226	2.3
99.00867	2.4
101.02440	8.7
103.00381	2.1
103.04019	2.3
111.00886	41.2
125.02448	2.8
129.01933	36.4
134.27930	1.3
140.25471	1.5
147.03017	8.1
161.46149	1.5
187.02554	3.0
205.03560	38.1
212.30548	1.6
213.10277	1.4
223.04620	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
56.00451	0.4
59.01388	64.3
60.46796	0.5
65.96821	0.6
85.06593	20.6
113.06105	10.1
115.43122	0.5
120.85965	0.6
131.07149	100.0
132.07510	0.9
138.01994	7.2
173.08232	2.9
174.99281	2.4
228.41948	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0777
Annotation	Oxitriptan 1
Peak:m/z	Relative Intensity
51.69914	1.1
59.01396	3.2
63.34838	1.3
72.00935	6.1
74.02475	38.7
91.09690	1.2
104.05089	1.5
130.06602	2.4
131.03755	6.6
132.04550	72.4
144.04559	100.0
146.06046	1.3
157.05368	3.1
157.07718	58.8
158.06116	16.4
175.08759	6.6
219.07770	55.8
237.08705	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	219.1061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30391	0.1
54.97444	0.1
59.01388	100.0
60.01720	0.3
61.98846	0.2
62.31567	0.1
72.20926	0.1
73.07442	0.1
76.58233	0.2
79.85178	0.1
86.77431	0.1
97.39979	0.2
142.24661	0.1
147.04514	0.3
150.55661	0.2
163.39844	0.1
196.29805	0.1
219.06842	0.2
235.55777	0.2
236.58078	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	215.0353
Annotation	Xanthotoxin
Peak:m/z	Relative Intensity
57.11563	1.3
74.35765	1.4
74.39165	1.4
130.50568	1.5
145.65019	1.7
146.84872	1.6
158.63661	1.5
171.04535	100.0
200.04771	1.7
215.01001	2.6
215.03502	7.9
215.07045	3.1
215.12871	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	216.0879
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00334	0.4
56.43490	0.5
71.01402	1.1
71.05022	2.5
72.00909	62.1
72.04563	6.3
77.83632	0.5
95.52279	0.6
98.02475	13.5
100.04041	5.9
115.24712	0.6
144.03035	100.0
184.20345	0.7
201.00676	0.8
216.08768	4.0
222.18628	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0031
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41187	0.5
57.30090	0.7
58.59071	0.5
59.01394	100.0
67.33250	0.5
90.97179	0.6
94.70546	0.6
98.06174	0.6
117.92009	0.7
129.25850	0.6
132.98224	4.0
156.96342	0.6
170.27937	0.6
174.99249	28.8
217.00340	20.7
217.33392	0.8
218.98421	0.7
219.70764	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	217.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
53.47474	0.4
59.01386	73.2
62.18652	0.5
71.85212	0.6
76.34667	0.6
79.91125	0.5
85.06590	20.5
91.43425	0.6
100.30593	0.7
113.06096	11.1
124.42968	0.6
131.07141	100.0
132.07439	0.7
138.01964	8.4
173.08186	2.3
174.99255	4.6
178.08566	0.6
207.23523	0.6
217.00403	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	209.1184
Annotation	6-Oxo-7(9)-dehydro-6,7-dihydrogeranyl acetate
Peak:m/z	Relative Intensity
57.03449	7.2
59.01385	100.0
63.42870	0.8
64.34274	1.0
81.03464	1.3
97.06579	9.4
99.63969	0.9
109.06600	8.9
121.02962	13.7
151.53821	1.0
162.63823	0.9
165.12817	6.4
208.24356	0.9
209.04564	1.5
209.11876	19.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1187
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01353	0.8
60.26247	0.9
70.69317	0.9
74.75336	1.0
77.85730	1.2
80.02696	4.5
81.03436	1.2
82.80481	0.9
83.05042	7.3
95.05083	1.4
97.06602	1.7
109.06640	1.1
121.02947	19.2
135.08154	1.8
162.45525	1.1
163.11324	8.1
165.12874	5.1
181.12404	1.6
191.10925	1.6
209.04568	2.0
209.11867	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	210.0411
Annotation	5-(2'-Formylethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
51.74260	0.8
55.74352	0.6
59.01406	1.2
61.98832	3.4
63.16668	0.7
76.57287	0.7
77.03995	1.2
78.95905	1.1
92.10771	0.8
96.38392	0.7
103.04274	3.5
103.92004	1.3
104.05070	60.6
107.15655	0.9
120.04540	9.9
122.06131	4.2
122.06926	1.6
124.03979	0.8
148.04065	80.9
148.97890	0.8
153.05562	3.2
159.26755	0.8
163.03932	1.1
166.05092	100.0
166.91063	4.9
169.10181	0.9
181.05013	1.0
210.04079	10.9
218.26653	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1343
Annotation	7-Oxo-11-dodecenoic acid
Peak:m/z	Relative Intensity
56.06907	0.5
57.11856	0.4
92.10770	1.1
92.65651	0.5
92.88534	0.5
110.10062	0.5
112.90146	0.5
126.20255	0.5
167.10835	0.8
167.14406	0.6
183.13927	13.1
193.12341	3.7
197.68983	0.5
211.13441	100.0
212.13858	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.0821
Annotation	(+)-3-Hydroxy-5-(p-hydroxyphenyl)pentanoic acid
Peak:m/z	Relative Intensity
57.03450	2.1
59.01386	4.1
63.02384	0.4
65.00316	3.9
66.90269	0.3
81.03456	23.8
83.01379	3.1
83.04995	0.3
91.01916	0.4
91.50416	0.4
93.03468	0.5
95.01420	0.4
99.08167	1.8
101.06075	1.8
103.31161	0.4
107.01392	3.7
120.02135	0.6
121.02955	20.4
121.06633	0.4
122.03764	7.1
123.04527	0.5
123.08165	10.2
125.02440	8.2
125.06071	17.2
125.85928	0.3
136.01686	0.5
137.02473	0.4
137.09724	0.7
147.08128	0.6
149.06003	0.4
151.00366	4.7
154.80013	0.4
155.40831	0.3
165.09210	85.5
166.09537	2.1
191.07135	2.7
196.51018	0.3
209.04793	2.3
209.08215	100.0
209.15495	5.5
210.08466	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	209.0821
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49000	1.3
55.50930	1.2
56.64755	1.2
57.03456	3.0
59.01385	7.4
59.27028	1.1
63.96658	1.4
64.35210	1.5
65.00317	2.3
71.75939	1.4
81.03452	22.8
83.01407	1.8
101.61905	1.4
107.01384	2.8
110.42813	1.3
120.02158	1.9
121.02952	73.2
122.03754	7.0
123.08154	7.5
125.02428	6.2
125.06092	13.8
137.02522	2.1
138.03456	1.3
151.00409	5.4
165.09210	61.5
166.09465	2.1
173.88571	1.3
209.04619	11.0
209.08215	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54671	2.1
55.01892	10.5
57.03469	4.5
59.01387	90.7
59.12883	2.3
61.98847	3.4
68.99850	3.0
71.01385	19.6
72.99292	2.6
75.00900	6.0
77.59730	2.8
85.02964	3.4
96.38425	3.1
99.00879	29.1
101.02431	4.0
104.03361	2.5
114.82242	2.4
115.80283	2.5
117.03483	10.9
119.05044	50.3
121.02940	22.3
123.04544	3.1
129.01949	23.5
133.02971	100.0
133.06618	4.0
147.03029	38.4
147.04518	16.4
148.05324	14.7
153.32294	2.8
161.02463	18.5
163.07639	14.1
177.01997	10.6
192.04344	3.4
207.04863	4.2
207.06677	68.3
207.16603	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1028
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
50.84009	1.4
53.01092	1.3
53.65487	1.4
55.01893	6.4
57.35874	1.6
59.01385	67.6
60.61512	1.7
61.35543	1.6
69.03467	2.1
71.01406	10.6
75.00857	2.0
80.02689	7.1
81.03475	10.4
83.05049	9.4
92.10779	5.7
99.00879	14.3
106.04279	2.4
107.05058	3.4
109.02959	1.6
109.06602	100.0
121.06592	3.9
129.01968	8.8
133.06647	1.8
135.08194	17.4
142.02745	2.3
144.80141	1.9
147.02988	15.5
150.82408	1.5
161.09729	7.7
163.11296	38.1
207.10306	34.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0445
Annotation	4-(1,2-Epoxyethyl)-8,9-epoxy-enediyne
Peak:m/z	Relative Intensity
53.83362	2.6
59.01385	46.2
66.00989	14.3
71.01393	5.4
75.00867	2.9
86.31481	2.9
90.34624	2.9
91.40447	2.9
92.10107	7.1
97.95324	2.7
99.00896	7.9
123.99366	3.2
126.81413	3.1
129.01913	6.3
141.90170	3.3
147.03003	16.5
149.33897	3.2
165.02303	4.8
166.47760	3.3
205.25241	3.5
207.04466	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.70808	2.7
55.01891	6.7
57.03471	2.8
58.53254	2.6
59.01387	100.0
61.98846	4.4
71.01411	30.5
75.00890	7.8
85.68566	3.5
99.00891	31.0
99.92625	16.9
101.02505	4.2
125.87373	4.2
127.87033	13.9
129.01968	28.1
136.20033	3.3
147.03014	44.5
147.94611	4.1
157.86339	7.6
159.86038	7.7
162.83975	17.2
163.84758	4.6
164.89537	18.4
170.88368	30.6
177.01962	15.0
188.89357	3.4
192.04324	6.6
206.16364	6.4
206.82596	5.8
207.16608	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	207.0665
Annotation	2-Benzylsuccinic acid
Peak:m/z	Relative Intensity
54.38933	1.6
55.01900	8.0
59.01388	56.6
59.01651	3.1
71.01373	19.8
75.00903	3.9
85.02951	2.1
97.56477	1.9
99.00878	21.8
101.02454	4.2
109.38978	2.1
118.78910	2.2
129.01935	17.6
132.99097	1.8
133.06618	2.1
138.07796	2.4
147.03023	19.4
160.53349	2.3
163.07668	100.0
164.08037	3.2
170.80611	2.3
177.01997	3.7
206.16385	2.3
207.06721	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	207.0664
Annotation	2-Benzylsuccinic acid
Peak:m/z	Relative Intensity
51.56644	1.2
55.01879	2.9
59.01387	41.0
59.01659	2.5
71.01389	12.2
74.51736	1.4
75.00887	3.6
99.00902	16.9
101.02476	3.2
116.33757	1.5
119.08646	2.6
124.70438	1.9
129.01961	9.9
131.79526	1.6
141.39357	1.7
147.03017	20.1
162.52661	1.9
163.07666	100.0
164.89517	2.4
177.01953	2.6
183.31877	2.1
192.04356	3.0
207.06641	12.5
219.37651	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01930	0.6
57.03497	0.7
59.01441	10.6
60.48798	0.3
71.01399	3.1
75.00911	0.6
88.05157	0.4
89.02491	0.7
95.05081	1.4
99.00895	3.6
101.02560	0.6
105.03469	7.4
112.53514	0.4
119.05090	1.7
125.02543	0.4
129.01938	3.2
132.02190	1.5
133.02963	52.7
134.03320	0.6
147.02992	5.0
147.04564	2.7
149.02470	3.4
149.06142	0.6
161.02463	0.7
164.04848	3.0
175.04099	0.7
177.01947	16.7
177.03484	0.7
188.55414	0.4
189.01904	0.4
192.04315	100.0
193.04626	3.1
207.06660	18.0
207.10272	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.0665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
59.01385	9.5
66.63439	0.4
69.98948	0.4
71.01394	2.0
84.92690	0.4
88.82671	0.4
93.03462	3.0
95.05021	3.5
99.00897	2.0
104.69521	0.5
105.03463	0.6
120.89187	0.6
121.02967	6.7
123.04544	7.4
129.01926	2.2
147.03004	4.1
148.35657	0.4
149.02461	23.6
150.03009	0.5
163.04007	0.9
177.01952	100.0
178.02283	2.0
191.03574	2.6
192.04321	76.3
193.04616	1.9
207.06667	17.8
208.07016	0.6
213.72057	0.4
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
57.03457	3.6
57.86691	0.5
58.00616	0.5
59.01392	3.4
67.01904	10.0
68.03191	0.5
71.01387	0.9
71.05036	0.8
72.99319	7.8
73.02955	10.4
73.31441	0.6
81.03473	0.7
83.01379	2.3
85.02980	3.9
87.00881	38.7
97.06565	1.1
99.00898	3.1
99.04520	6.0
101.02449	6.5
103.66728	0.5
111.00888	100.0
112.01253	0.7
115.04037	2.5
116.84277	0.5
117.01935	2.8
125.02439	8.8
141.36618	0.6
143.03508	9.1
143.07167	3.5
145.01366	1.1
145.05074	3.8
154.99866	4.0
169.01390	0.9
173.00897	3.2
187.02493	0.9
187.06091	1.2
205.03545	3.8
205.07228	2.4
205.16000	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	205.0355
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86472	1.4
55.01894	3.5
56.02350	1.2
57.03456	11.7
58.00579	1.4
58.85090	1.1
59.01384	30.9
64.23899	1.1
64.60566	1.2
65.46960	1.3
67.01904	9.6
68.99814	2.8
69.03428	1.4
71.01385	21.8
71.05041	6.1
72.99306	27.8
73.02937	12.1
75.00883	8.6
81.03476	9.9
83.01399	10.3
83.20578	1.3
85.02950	22.4
87.00876	39.5
89.02470	6.5
89.03100	1.5
99.00874	31.6
99.04514	10.5
101.02460	17.1
111.00886	100.0
112.53651	1.5
112.98815	66.8
114.88540	1.3
115.00375	12.5
115.03991	2.0
117.01938	9.0
118.90028	1.6
124.33633	1.6
125.02437	55.1
127.00424	1.8
129.01964	6.6
142.99971	2.0
143.03487	15.3
145.01479	13.4
154.99873	7.1
161.04605	1.8
173.00909	11.1
180.97595	1.5
187.02486	11.8
205.03519	17.9
205.16029	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	205.0356
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27828	1.4
54.41755	1.2
55.01894	3.5
57.03463	6.9
59.01386	36.5
61.63327	1.3
64.18001	1.3
67.01907	1.4
68.99831	1.6
71.01391	23.9
71.05012	16.4
72.99306	15.9
73.02969	7.8
75.00892	8.2
78.08964	1.3
81.03493	6.9
83.01414	7.6
84.99338	2.1
85.02966	2.2
87.00879	25.8
89.02440	12.7
92.10687	2.0
99.00883	28.9
99.04515	30.6
101.02455	40.1
111.00887	11.6
112.98820	100.0
115.00372	8.5
115.04026	14.5
116.00720	1.5
117.01956	6.8
125.02442	89.4
129.01944	7.9
142.99905	2.0
143.03542	9.7
145.01450	34.8
158.76151	1.7
173.00923	8.7
187.02489	21.7
195.80652	1.5
200.24545	1.6
205.03595	27.6
205.07224	1.9
205.16040	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	206.0825
Annotation	N-Acetyl-L-phenylalanine
Peak:m/z	Relative Intensity
58.02981	39.3
59.01373	1.7
69.98106	1.5
70.02986	9.5
72.00925	8.2
91.05529	26.0
97.21208	1.5
108.53690	1.5
114.39513	1.9
147.04535	42.3
164.07184	100.0
205.16071	1.7
206.08238	41.2
206.16304	2.3
224.43747	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.03
Annotation	Isoochracinic acid
Peak:m/z	Relative Intensity
55.01910	1.0
57.03464	0.7
59.01387	13.9
68.01610	0.7
68.99817	12.6
71.01405	4.7
75.00880	1.3
78.51466	0.7
78.62381	0.7
89.02382	0.8
89.03996	1.6
91.05529	1.3
93.03479	3.7
93.55066	0.8
96.99311	30.4
99.00893	4.7
104.35460	0.8
107.05042	5.3
108.02206	1.6
109.02955	100.0
110.13868	0.8
117.03456	13.0
119.05027	12.8
121.02958	9.9
125.95147	1.0
129.01938	1.7
134.03737	10.6
135.04526	29.7
137.02448	14.9
139.47557	0.8
145.02963	29.7
147.03027	4.6
161.02409	3.0
162.03185	1.9
163.04010	54.2
164.04318	1.2
165.01910	1.1
189.01917	4.1
201.34871	0.8
207.03011	72.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0829
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
59.01385	10.2
61.28285	0.7
61.74118	0.6
72.00912	17.1
74.02474	34.9
76.58047	1.0
78.98933	0.9
92.10849	0.9
110.19612	0.8
116.05068	100.0
117.05396	1.3
130.06627	1.5
133.13306	0.9
142.06638	28.5
143.07109	1.8
159.09291	15.3
160.04012	0.8
160.97409	0.8
161.08202	5.0
186.05618	1.6
203.08293	54.9
204.08603	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0303
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
50.08433	0.2
59.01373	0.4
71.01379	0.3
90.03463	0.3
115.00245	0.3
115.07602	0.3
118.02999	5.1
126.01064	0.2
131.03754	3.4
132.04565	9.8
133.03035	0.3
137.02480	0.3
159.02269	0.8
159.03268	41.8
160.04056	100.0
161.04382	1.6
162.08690	0.4
162.66611	0.3
162.89403	0.5
175.02693	0.3
180.66223	0.2
204.03011	4.7
205.16029	0.5
209.68697	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.0256
Annotation	Unknow
Peak:m/z	Relative Intensity
56.89855	0.4
59.01385	100.0
60.01733	0.5
61.52131	0.4
63.15896	0.5
99.23627	0.4
109.42474	0.5
118.23374	0.4
133.12234	0.4
136.76593	0.5
143.63895	0.4
153.19286	0.4
157.03581	5.2
159.01527	4.2
201.02568	14.0
202.02771	0.8
205.12105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1134
Annotation	Sebacic acid
Peak:m/z	Relative Intensity
55.99088	0.8
57.03456	6.1
59.01387	36.0
111.08167	6.5
137.09779	2.1
139.11299	100.0
140.11639	1.3
158.89352	1.3
159.01495	1.4
183.08640	1.3
183.10271	37.9
183.11801	2.0
201.02614	1.7
201.11357	86.4
202.11792	2.2
205.31316	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.9577
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62160	0.6
57.65952	0.6
59.01384	86.5
60.01733	3.4
61.86643	0.6
62.80365	0.7
72.67142	0.7
79.74011	0.7
96.40254	0.8
99.92581	100.0
100.92633	3.3
103.92061	3.7
115.92097	1.0
116.92848	14.5
127.86981	0.8
130.94421	1.4
141.86014	0.6
141.86823	29.3
141.93639	69.7
142.93599	0.8
148.95345	0.8
159.87892	19.0
159.89391	4.2
160.89217	1.3
164.83607	23.0
166.83337	7.3
174.99266	1.1
201.80238	9.0
201.95741	6.1
202.02792	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	202.0724
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
52.12433	2.1
53.87938	2.1
55.01936	2.6
57.03465	25.8
58.02988	61.0
59.01415	2.5
69.03483	6.2
69.44032	2.2
71.01402	2.4
72.04550	22.7
74.02477	3.2
82.03000	4.5
83.01363	2.6
84.04562	35.1
84.45225	2.6
85.02972	20.4
86.06113	19.0
86.13769	2.8
96.04551	4.2
97.02963	6.4
98.02469	20.6
98.06108	46.7
100.04053	88.4
108.04570	15.8
110.06133	6.5
112.07693	10.8
114.05634	10.9
115.68726	2.7
116.07188	77.7
128.07188	47.6
130.08759	5.7
134.78027	2.9
138.05612	14.8
140.06184	4.5
140.07195	90.0
156.03021	4.3
156.06688	11.5
158.08229	73.6
192.54927	2.7
195.97215	2.5
202.07239	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	200.0565
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86155	1.1
59.01383	1.2
63.43258	1.2
70.02991	7.1
71.01396	2.8
72.99314	8.1
73.82063	1.1
77.13068	1.2
83.05043	2.4
84.04558	8.6
85.02972	2.3
85.80654	1.2
94.02995	1.5
95.05030	11.7
97.01685	1.3
98.02474	25.2
108.04575	7.7
110.02493	26.7
110.06144	6.9
111.04524	2.7
112.04049	18.8
112.07668	9.0
113.06104	8.9
123.03258	2.8
124.04041	2.9
126.05601	5.4
128.03555	2.7
129.05589	1.3
136.04028	14.6
138.05640	19.7
139.04001	10.2
148.57512	1.3
150.13161	1.3
154.05116	35.4
155.03534	5.6
156.06682	29.3
157.05080	5.9
172.06212	2.0
182.04616	29.7
200.05681	100.0
201.04114	9.1
201.05844	1.4
211.92789	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0566
Annotation	Unknow
Peak:m/z	Relative Intensity
60.22667	1.5
60.63874	1.6
60.90060	1.5
61.31929	1.7
64.55054	1.2
69.06309	1.5
70.02982	2.8
72.04553	2.1
72.99329	7.3
81.99921	1.5
83.05045	3.1
84.04554	2.9
84.99667	1.4
86.99467	1.4
92.10683	1.6
95.05038	9.6
98.02479	23.6
108.04566	3.1
110.02481	33.9
110.06146	7.2
111.04551	1.8
112.04072	14.0
112.07697	3.9
113.06129	1.7
123.03277	1.8
124.04010	3.6
126.05623	6.6
136.04042	10.9
138.05626	16.8
139.04013	6.1
145.27359	1.8
154.05110	33.9
155.03629	1.8
156.06686	19.9
182.04590	31.9
200.05679	100.0
201.04124	2.5
201.06003	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	197.0972
Annotation	4-Phenethylphenol
Peak:m/z	Relative Intensity
59.53904	0.9
61.98833	1.4
69.40678	0.8
126.90514	5.0
140.57213	1.0
162.83923	6.9
178.99863	1.4
182.02219	1.2
182.07379	84.1
195.08086	1.3
196.86380	4.6
197.09737	100.0
197.80775	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
55.01886	0.3
55.28253	0.3
69.03468	0.6
71.05024	0.7
94.04237	0.3
95.05038	0.4
97.06596	16.3
98.06923	0.3
98.49810	0.3
99.08182	4.4
109.02957	0.3
109.06607	0.4
111.08140	0.4
122.03766	2.4
125.09728	0.8
126.03255	0.6
137.09747	2.3
151.11324	0.8
153.12875	100.0
154.13222	4.1
179.10802	21.8
180.11099	0.3
197.02043	0.6
197.11865	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	197.1185
Annotation	(-)-Hydroxydihydrobovolide
Peak:m/z	Relative Intensity
62.28779	0.6
64.98103	0.6
65.94177	0.5
69.03466	0.9
102.96504	0.6
123.00852	0.9
153.09196	1.4
153.12822	4.4
169.12358	15.4
170.12614	0.7
175.75162	0.6
182.02147	0.7
197.11856	100.0
198.12221	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	199.098
Annotation	2-Hydroxycampholonic acid
Peak:m/z	Relative Intensity
59.01395	1.3
67.01881	0.9
67.17357	0.9
83.01386	1.4
99.00867	1.5
99.08176	1.3
116.05951	0.8
116.92813	0.9
131.48874	1.0
137.09743	7.1
155.10796	100.0
156.89432	1.0
199.09779	10.6
199.17140	1.2
219.47678	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0204
Annotation	Unknow
Peak:m/z	Relative Intensity
53.98713	0.8
61.87021	0.8
65.03980	1.3
81.03490	1.2
92.66261	1.0
93.03496	1.0
95.01417	1.1
96.04570	1.0
109.02951	16.1
126.90459	2.0
134.13141	1.0
137.02448	22.3
140.03568	5.5
150.01981	5.5
167.02216	9.0
180.01759	18.3
181.00093	1.1
182.07552	1.1
197.02063	100.0
212.00803	2.3
212.83852	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0205
Annotation	2,4-Dinitroanisole
Peak:m/z	Relative Intensity
50.00350	2.2
56.64472	0.4
62.21175	0.5
65.99852	3.9
67.01888	0.9
68.01437	0.8
68.99866	0.7
69.91000	0.5
76.01934	2.7
78.03493	5.6
88.36035	0.5
89.01426	0.5
89.26110	0.4
92.01469	0.5
92.99816	0.6
94.03001	2.4
95.01376	1.0
104.01416	4.3
104.99837	0.6
106.03023	0.9
108.02209	1.2
109.02982	4.0
115.10557	0.5
119.02512	0.7
120.00920	4.1
121.92243	0.5
122.02452	2.5
123.00954	1.6
123.03264	0.8
132.00829	0.6
133.01700	3.1
136.00409	0.8
137.02440	2.2
138.02017	3.9
138.02968	0.6
150.01961	8.7
167.02234	1.9
168.01878	0.8
179.00986	4.7
180.01785	7.4
197.02058	100.0
198.02386	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0609
Annotation	3,4-Dihydroxyfluorene
Peak:m/z	Relative Intensity
61.98861	5.5
63.10658	4.4
126.90517	9.8
151.36424	5.1
160.84386	4.0
196.86400	8.1
197.06108	100.0
197.09818	5.5
198.06378	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	193.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.2
57.03463	6.7
59.01388	57.9
69.03466	27.7
71.01372	47.4
72.99328	6.7
73.02955	52.2
80.45137	4.1
83.01392	10.8
85.02954	70.0
86.00109	6.9
87.00878	52.4
95.01415	8.7
97.02955	32.7
99.00893	53.8
101.02451	66.7
103.00412	8.4
113.02438	6.9
125.02436	23.1
140.01151	15.5
141.01953	18.7
155.03529	21.9
161.04572	100.0
161.18860	4.7
175.06204	5.2
178.35602	5.4
193.07190	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.03
Annotation	3-(3,4-Dihydroxyphenyl)pyruvate
Peak:m/z	Relative Intensity
58.68179	0.4
59.01391	1.0
69.80440	0.5
72.10172	0.4
75.00872	2.2
78.95912	2.6
79.95735	0.8
80.96535	2.4
85.02926	0.6
96.96012	100.0
96.96894	3.8
105.03496	0.6
107.05040	56.2
108.05357	0.7
109.02904	0.6
121.02970	0.7
123.04550	2.2
125.06096	1.1
125.67497	0.5
133.02974	3.6
151.04025	38.5
152.91747	0.6
190.57115	0.5
194.92770	0.6
195.02966	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	193.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01884	2.4
56.74182	1.0
56.81561	1.1
57.03461	1.1
57.39534	1.1
59.01388	8.3
67.25388	1.1
69.03458	2.1
70.32757	1.0
71.01392	11.2
72.99333	1.4
73.02946	11.5
83.01405	6.6
85.02944	14.3
86.00116	1.3
87.00880	11.6
89.03973	2.4
95.01419	4.4
97.02956	7.0
99.00900	10.6
101.02460	13.6
105.76527	1.1
111.00887	1.5
117.03467	8.4
117.40866	1.1
124.53407	1.2
125.02442	6.5
133.02965	2.7
134.03749	100.0
135.04037	1.8
137.02435	5.6
141.01967	6.5
149.06099	9.8
155.03513	2.5
161.04581	20.4
178.02753	20.9
180.22482	1.2
193.05211	11.8
193.07056	11.3
214.56799	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	193.0718
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01892	6.2
57.03463	6.7
59.01388	57.9
69.03466	27.7
71.01372	47.4
72.99328	6.7
73.02955	52.2
80.45137	4.1
83.01392	10.8
85.02954	70.0
86.00109	6.9
87.00878	52.4
95.01415	8.7
97.02955	32.7
99.00893	53.8
101.02451	66.7
103.00412	8.4
113.02438	6.9
125.02436	23.1
140.01151	15.5
141.01953	18.7
155.03529	21.9
161.04572	100.0
161.18860	4.7
175.06204	5.2
178.35602	5.4
193.07190	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Methyl caffeate
Peak:m/z	Relative Intensity
55.01894	1.3
57.03439	0.6
59.01395	6.1
64.30873	0.7
64.39848	0.7
69.03463	1.9
71.01396	6.9
73.02944	8.3
76.52977	0.7
83.01415	2.8
85.02939	9.0
85.50809	0.7
87.00883	6.7
89.32262	0.7
92.10777	0.8
95.01389	2.9
97.02966	4.5
99.00894	7.5
101.02442	9.0
106.04247	0.9
111.00906	0.9
113.02511	1.0
121.02958	3.6
123.00864	0.8
125.02448	1.5
133.02968	25.7
134.03758	27.4
136.46156	0.9
137.02443	18.4
139.04034	6.0
140.01103	1.1
141.01994	3.0
150.03284	1.3
151.96808	0.9
157.83366	0.7
159.03041	1.0
160.44069	0.7
161.02472	36.4
161.04524	13.7
164.90805	0.9
178.02753	6.7
193.05092	100.0
193.07080	8.4
194.05411	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0507
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02877	0.7
55.01881	1.7
57.03472	1.0
59.01391	7.8
66.95509	0.8
67.29733	0.7
67.44741	0.8
68.61259	0.9
69.03461	4.7
71.01378	9.8
73.02938	9.0
75.00900	0.9
75.04849	0.9
83.01384	3.8
85.02947	10.9
86.00121	1.1
87.00877	7.2
89.02419	1.1
89.03979	4.5
97.02958	4.3
99.00883	5.8
101.02431	13.1
104.94688	0.9
105.07104	2.1
106.04276	1.5
111.00890	1.3
112.01680	1.0
112.23014	0.9
112.72879	0.9
113.02507	0.9
116.10713	0.8
117.03457	6.6
121.02941	2.0
123.00894	0.9
125.02441	4.2
133.02940	1.9
134.03743	100.0
137.02478	11.2
139.04059	1.7
140.01128	1.5
141.01897	3.6
149.06085	13.2
150.03185	0.9
155.03496	1.5
161.04562	17.1
178.02737	23.4
193.05067	16.1
193.07158	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	193.0506
Annotation	Bombardolide C
Peak:m/z	Relative Intensity
55.01889	1.1
57.03480	0.8
59.01405	4.9
69.03465	1.2
71.01410	4.2
73.02940	5.3
74.01404	0.7
75.43311	0.6
80.73787	0.6
83.01433	3.0
85.02957	6.4
85.94841	0.6
87.00899	3.5
92.10217	1.0
97.02986	1.1
99.00877	5.5
101.02469	5.5
105.07107	34.9
113.02480	1.2
113.42686	0.7
125.02471	0.8
132.85880	0.8
134.03670	1.3
141.01910	1.3
143.62872	0.7
143.78264	0.7
149.06093	100.0
150.06467	1.2
155.03554	0.9
161.04590	9.2
182.42014	0.7
190.73584	0.8
190.89218	0.8
193.05070	7.7
193.07156	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	191.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74065	1.0
53.35928	0.8
54.79897	0.7
57.03470	5.0
59.01393	12.7
59.01656	1.1
63.32784	0.8
65.33030	0.8
66.61105	0.8
67.01918	1.8
70.34960	0.8
71.01446	1.0
73.02956	1.1
85.02961	25.3
87.00887	36.1
89.15708	0.9
104.02695	26.2
111.00893	71.3
120.02187	1.3
129.01932	4.9
148.01683	20.5
162.41238	0.9
173.00931	1.7
176.01166	100.0
177.01515	1.9
191.01987	8.0
191.03563	15.2
191.05647	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	191.035
Annotation	Anemonin
Peak:m/z	Relative Intensity
51.23378	0.3
59.01392	2.4
68.99830	0.5
85.02962	3.3
87.00887	3.0
92.10066	0.8
108.10227	0.5
110.64967	0.4
111.00880	7.1
119.05035	1.7
121.02953	100.0
122.03316	1.9
127.76720	0.4
147.04521	7.5
191.01913	0.8
191.03526	8.1
191.05548	1.8
198.81732	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0352
Annotation	Scopoletin
Peak:m/z	Relative Intensity
54.41214	0.3
54.93528	0.3
55.20836	0.3
57.03488	1.5
59.01387	4.2
60.88615	0.3
67.01916	0.4
68.99680	0.3
71.01383	0.6
74.04617	0.3
83.93145	0.4
85.02946	5.7
87.00879	8.6
87.01346	0.4
104.02688	25.1
111.00885	16.0
112.98823	0.6
120.02190	2.5
121.60043	0.4
123.00887	0.6
128.44356	0.4
129.01956	0.4
148.01685	24.0
149.02077	0.5
176.01161	100.0
177.01501	2.5
179.19083	0.4
191.02007	1.7
191.03529	18.5
191.05600	2.4
192.03831	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0506
Annotation	trans-4-Hydroxy-3-methoxycinnamate
Peak:m/z	Relative Intensity
51.61139	0.8
55.01881	0.8
57.03462	0.9
59.01391	4.8
59.18983	0.8
63.07362	0.9
67.24763	0.8
69.03458	1.1
71.01377	8.9
72.99300	0.9
73.02943	8.3
76.58174	0.9
83.01413	1.5
85.02534	1.0
85.02941	8.5
87.00891	5.8
95.01413	1.3
95.65838	0.8
97.02958	0.9
99.00887	6.5
101.02462	8.0
106.04233	2.0
111.00896	2.0
121.02950	3.6
125.02471	2.2
133.02983	9.0
134.03740	100.0
137.02448	16.8
139.03995	6.3
141.01956	3.5
149.06081	20.5
150.03212	1.4
155.03470	1.1
161.04550	12.7
178.02737	50.2
179.02995	1.1
193.05070	21.3
193.07156	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	189.0769
Annotation	3-HYDROXYSUBERIC ACID
Peak:m/z	Relative Intensity
53.74906	0.5
54.91093	0.5
56.48320	0.4
59.01138	0.5
59.01374	4.7
64.29031	0.5
66.89031	0.5
71.05025	6.2
72.20509	0.5
74.97599	0.5
81.96109	0.5
85.39632	0.7
99.08154	39.1
101.06107	0.9
127.06681	0.9
127.07650	36.8
129.05579	100.0
130.05867	1.4
139.04987	0.6
143.07156	0.8
145.08727	6.7
171.06670	6.0
181.29979	0.6
189.07693	45.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.0199
Annotation	Citric acid
Peak:m/z	Relative Intensity
50.50776	0.9
55.28647	0.9
57.03456	8.0
59.01385	1.3
64.34219	1.1
64.88885	1.2
67.01877	3.8
83.89009	1.0
85.02956	30.2
87.00874	55.4
89.08688	1.0
108.30325	1.1
111.00880	100.0
112.05087	1.3
129.01961	6.8
191.01961	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	187.0099
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	87.2
72.14414	0.9
85.68857	0.9
97.42192	0.8
115.02516	3.7
117.00433	11.4
142.89397	4.3
144.99945	1.0
159.01501	100.0
160.01682	4.6
187.01009	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	187.0977
Annotation	Azelaic acid
Peak:m/z	Relative Intensity
58.45105	2.1
59.01393	3.2
68.43893	2.4
71.01403	11.6
72.99325	13.4
97.06586	77.7
99.00893	15.0
107.08673	12.0
123.08179	39.1
151.07640	41.1
169.08708	12.7
187.09782	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	187.0977
Annotation	2-methylbutyl (acetyloxy)acetate
Peak:m/z	Relative Intensity
50.35097	0.5
53.19165	0.5
59.01384	85.8
60.01725	0.7
63.51095	0.6
97.06590	0.6
99.08150	32.9
104.90612	0.6
127.07664	11.6
129.04243	0.6
136.69392	0.7
145.08722	100.0
187.09753	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1341
Annotation	[1S-(1a,2a,3b,4b)]-1-methyl-4-(1-methylethyl)-1,2,3-Cyclohexanetriol
Peak:m/z	Relative Intensity
59.01411	2.0
75.39343	0.5
97.90214	0.5
103.84137	0.5
125.09708	0.6
139.11273	0.5
141.12872	6.9
169.12378	2.5
185.11749	0.9
187.13425	100.0
188.13776	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.1027
Annotation	1,6,6-Trimethyl-2,7-dioxabicyclo[3.2.2]nonan-3-one
Peak:m/z	Relative Intensity
59.01398	0.8
62.38980	0.9
69.03474	3.7
70.61494	0.8
71.44473	0.8
79.04108	0.9
80.23969	1.0
83.01398	1.8
83.05028	1.2
90.83255	0.9
95.01389	3.6
109.06618	1.6
111.00878	7.4
127.07703	1.1
128.20978	0.9
137.09769	1.0
139.07581	1.2
139.11287	14.0
155.10777	18.7
165.01889	1.2
165.09169	1.6
183.00444	1.4
183.04597	1.2
183.10274	100.0
184.10551	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	185.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	9.2
59.01405	1.8
67.01906	8.2
69.03479	6.4
71.01376	1.9
73.02944	40.6
76.24854	1.3
78.95901	10.9
83.06709	1.1
85.02946	13.6
95.01395	2.8
95.05025	9.9
96.96955	13.7
97.02946	10.1
97.06576	13.7
99.00877	67.6
99.04539	1.6
111.00887	100.0
112.01307	1.4
113.02486	1.9
123.00938	1.8
123.04525	1.6
139.05946	1.5
141.01964	5.6
141.05588	47.5
164.73732	1.2
167.03432	1.9
185.04550	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	183.0048
Annotation	2,4-DINITROPHENOL
Peak:m/z	Relative Intensity
51.02372	0.6
55.01886	0.3
56.56433	0.3
59.55158	0.4
65.00335	0.4
67.01910	2.4
68.72539	0.3
68.99823	0.6
69.03462	0.9
77.25945	0.3
91.52772	0.4
95.01388	12.3
102.96804	0.4
109.01717	1.9
111.00890	1.5
123.00887	26.6
125.01175	2.8
137.01192	2.3
153.00697	21.9
169.24960	0.4
183.00484	100.0
183.10297	0.6
184.00801	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0299
Annotation	Methyl 3,4,5-trihydroxybenzoate
Peak:m/z	Relative Intensity
52.35786	0.5
54.83120	0.5
60.55055	0.5
60.89005	0.6
65.00348	0.8
68.99809	0.6
71.01370	0.9
77.80965	0.5
82.00618	0.8
83.01429	1.1
83.51689	0.5
96.80577	0.5
97.14537	0.7
108.66231	0.5
110.00126	1.4
111.00896	10.7
124.01672	18.5
127.00394	3.6
136.98853	9.0
139.00395	10.8
140.01186	17.7
168.00655	15.3
173.82314	0.6
181.49861	0.7
183.03014	100.0
184.03323	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	179.0561
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
52.24382	0.7
55.01900	4.4
58.00589	1.1
59.01386	43.1
63.39859	0.9
71.01385	34.2
71.05035	1.5
72.99307	28.4
72.99685	1.3
73.02949	21.8
73.03343	0.9
75.00869	59.6
78.39774	0.9
81.03465	2.0
85.02973	3.4
87.00878	18.2
89.02441	15.2
92.65994	0.9
97.03049	0.9
99.00871	21.3
101.02457	1.6
103.00382	22.5
105.01948	1.1
107.05016	1.6
108.79575	0.8
113.02480	2.0
117.01987	2.1
120.81692	0.9
134.03722	9.7
134.41432	0.8
135.04533	100.0
136.04913	4.6
142.99896	5.8
143.03462	6.1
149.00969	6.1
161.00929	14.4
161.04562	8.0
179.01993	30.4
179.03529	14.3
179.05627	37.2
180.05916	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	181.0508
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
54.82855	1.8
55.01873	3.0
59.01384	79.9
63.63547	1.6
65.00307	2.2
69.03452	3.1
71.01379	100.0
71.97329	1.8
72.99316	2.5
73.02944	27.1
83.01402	7.6
85.02932	15.3
87.00874	2.4
89.02438	68.3
92.10843	2.2
93.03446	12.4
97.02918	3.6
97.94961	1.6
101.02439	65.0
108.02135	2.5
113.02448	7.8
115.04006	2.6
117.37128	1.8
119.03510	7.6
121.02954	10.4
131.03493	3.3
137.06056	18.2
163.06125	7.8
166.02713	2.7
179.48450	1.9
181.05153	9.4
181.07185	89.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	182.046
Annotation	(+/-)-4-methylene-2,5-dioxo-3-Pyrrolidinepropanoic acid
Peak:m/z	Relative Intensity
56.40051	2.1
59.01389	3.2
67.01896	22.9
71.01384	2.5
72.01734	3.5
83.01381	18.7
94.02977	5.1
95.01381	29.6
110.02483	100.0
110.03254	3.4
111.00894	46.8
127.72460	2.6
138.02025	3.7
138.05630	3.7
139.00359	5.7
182.04584	43.4
182.07516	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	182.046
Annotation	4-Pyridoxate
Peak:m/z	Relative Intensity
50.98996	0.4
56.88404	0.4
59.21164	0.4
66.54131	0.4
67.01900	2.8
71.01383	0.4
83.01381	3.5
92.05061	3.8
94.02994	2.2
95.01378	5.6
95.05047	0.8
108.04559	62.4
110.02505	1.5
110.06135	0.8
111.00883	8.0
120.04552	6.4
122.02459	0.9
123.03285	2.0
138.05612	100.0
139.00436	0.6
139.05948	3.2
182.04594	22.0
183.04930	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01902	15.3
59.01392	38.3
67.68637	1.8
71.01389	48.8
72.99316	66.0
73.02959	61.3
75.00881	32.4
79.44392	2.0
87.00886	45.3
89.02436	21.1
89.79093	2.2
99.00887	57.1
103.00371	79.7
105.01958	8.3
117.01938	14.6
117.44265	2.2
127.65296	2.2
135.03008	2.4
135.04532	47.5
142.99884	20.6
149.00949	15.8
161.00937	60.0
179.01987	100.0
179.03407	5.4
179.05534	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	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
53.00758	0.4
58.23547	0.5
59.01385	16.5
71.01376	12.2
72.99308	5.9
73.02594	0.5
73.02939	4.3
75.00875	2.4
83.99606	0.4
87.00873	3.1
89.02438	4.5
91.05507	0.8
94.02179	0.6
95.01368	0.6
96.96011	6.8
96.96958	1.2
99.00881	2.7
103.00385	5.5
107.05042	2.2
113.02418	0.6
134.03749	7.4
135.04526	100.0
136.04871	1.8
142.99907	0.5
149.00882	1.1
161.00928	3.3
179.01968	6.0
179.03523	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	179.035
Annotation	Unknow
Peak:m/z	Relative Intensity
58.00586	0.5
59.01385	14.2
64.69643	0.4
71.01376	10.3
72.99329	0.5
73.02937	0.5
89.02431	4.7
91.05518	0.6
96.96019	3.1
100.23737	0.4
101.02451	0.9
106.43583	0.4
107.05039	2.5
117.03461	0.4
125.16747	0.4
134.03737	8.3
135.04530	100.0
136.04869	2.3
136.25377	0.4
148.09785	0.5
179.02042	0.7
179.03516	13.3
180.65674	0.4
189.09642	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80598	0.7
59.01386	16.1
61.14928	0.6
71.01371	10.3
72.92240	0.6
79.98435	0.7
89.02422	6.2
91.05529	19.0
96.91849	0.8
107.05044	1.3
129.75363	0.8
134.03738	3.8
135.04526	100.0
136.04814	1.6
138.00009	0.7
179.03493	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	179.035
Annotation	Caffeic acid
Peak:m/z	Relative Intensity
51.22297	0.8
52.46213	0.7
52.54410	1.0
53.01814	0.8
54.54410	0.8
59.01392	10.2
71.01367	7.4
89.02435	2.3
91.05534	33.3
92.10867	1.7
101.02419	1.1
108.47263	0.9
113.30786	1.0
129.69775	1.0
134.03751	1.3
135.04530	100.0
136.04935	1.1
143.56195	1.0
159.51740	1.0
179.03532	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	179.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01386	14.5
63.33792	0.3
71.01380	10.3
72.99306	0.4
83.01412	0.4
85.02934	0.5
89.02441	4.9
89.03929	0.5
91.05523	0.4
96.96023	2.0
101.02443	0.7
107.05032	2.9
113.02439	0.6
117.03488	1.4
134.03740	9.5
134.79173	0.4
135.04524	100.0
136.04852	1.9
142.98810	0.3
179.02034	0.7
179.03503	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	179.0562
Annotation	scyllo-Inositol
Peak:m/z	Relative Intensity
52.49251	0.6
58.00617	1.6
59.01393	25.4
66.17611	0.7
71.01394	12.5
71.05032	3.5
72.99313	11.4
73.02954	8.2
75.00877	100.0
81.03471	6.0
85.02976	4.1
87.00883	6.8
89.02460	6.1
95.41336	0.7
99.00867	5.0
99.04546	1.2
101.02415	0.8
103.00391	1.2
115.03994	0.8
125.02511	1.1
143.03493	9.5
161.00960	1.1
161.04572	10.9
179.02113	1.5
179.05629	62.9
180.05949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0613
Annotation	2-Isopropylmalic acid
Peak:m/z	Relative Intensity
58.19925	0.7
59.01385	4.7
71.04993	0.9
76.57988	0.8
82.44964	0.7
85.06590	43.9
85.07098	1.6
87.04540	1.5
92.66207	0.9
106.16797	0.7
113.06095	37.8
115.04012	100.0
129.05569	1.6
130.99208	0.9
131.07130	8.6
157.05040	8.0
164.91209	0.9
175.06128	48.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0193
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01387	7.2
59.44709	0.6
68.17856	0.6
71.18682	0.6
74.84821	0.7
77.03968	5.8
81.03487	1.4
89.03983	13.5
92.10155	0.9
93.03496	1.0
95.05027	8.0
105.03466	36.3
108.64414	0.7
121.02963	1.5
123.04538	1.3
133.02965	68.8
139.04083	1.2
149.02441	3.6
162.03242	12.1
174.63063	0.7
177.01949	100.0
178.02344	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0194
Annotation	Esculetin
Peak:m/z	Relative Intensity
54.59358	0.2
56.41370	0.1
57.10167	0.2
59.01382	4.9
63.02405	2.3
65.00318	2.1
65.03975	0.2
67.01891	1.7
68.63374	0.2
68.99792	0.2
71.33553	0.2
77.03979	0.2
77.64183	0.2
89.00335	1.1
89.03966	5.8
91.01891	4.9
93.03469	0.3
95.05022	1.3
105.03461	2.5
107.01384	2.6
109.02953	3.2
121.02951	1.1
123.04498	1.6
132.02216	0.2
133.02954	8.3
134.03374	0.2
135.00873	2.9
149.02458	1.4
153.02005	0.3
177.01941	100.0
178.02283	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	178.9506
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18624	0.4
59.01394	6.5
66.97508	0.4
71.01385	4.9
72.99316	0.6
89.02448	2.1
101.89835	0.4
134.96085	9.1
136.94009	100.0
137.94102	4.7
146.36060	0.4
151.91586	0.9
151.92717	15.8
152.92824	1.0
154.95129	0.5
178.95074	39.8
179.95210	2.1
189.91240	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0198
Annotation	Unknow
Peak:m/z	Relative Intensity
54.83697	1.6
55.01895	12.7
58.75793	1.6
59.01387	38.5
62.61746	1.7
71.01382	48.3
71.16694	1.7
72.99313	86.4
73.02949	57.9
74.03282	1.6
75.00871	57.9
80.30063	1.6
81.03452	1.5
87.00884	50.3
89.02429	23.7
99.00883	65.5
103.00375	78.9
105.01969	8.5
117.01956	11.9
121.88668	2.0
132.63541	1.8
134.03737	2.0
135.04532	43.8
142.99883	22.1
143.03552	4.0
149.00920	21.4
161.00932	58.3
163.06657	2.0
179.02010	100.0
179.03397	5.5
179.05566	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57213	2.4
53.25158	2.4
55.01888	15.3
57.03193	5.6
57.03461	100.0
59.01386	4.4
59.05022	4.6
65.60230	2.4
69.03467	42.1
71.76843	2.4
72.95438	2.5
72.99310	26.3
73.02966	6.1
75.00887	11.0
83.01382	3.2
85.02968	46.8
87.04521	50.2
95.01360	5.4
99.00893	31.3
101.02463	33.3
113.02493	27.4
131.03519	46.1
135.03421	2.4
138.87311	2.3
157.01459	24.4
157.96857	2.9
175.02510	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57213	2.4
53.25158	2.4
55.01888	15.3
57.03193	5.6
57.03461	100.0
59.01386	4.4
59.05022	4.6
65.60230	2.4
69.03467	42.1
71.76843	2.4
72.95438	2.5
72.99310	26.3
73.02966	6.1
75.00887	11.0
83.01382	3.2
85.02968	46.8
87.04521	50.2
95.01360	5.4
99.00893	31.3
101.02463	33.3
113.02493	27.4
131.03519	46.1
135.03421	2.4
138.87311	2.3
157.01459	24.4
157.96857	2.9
175.02510	29.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68020	1.5
55.01887	22.8
57.03455	99.9
59.01377	2.4
59.05027	4.4
69.03458	59.0
69.03809	3.4
71.01401	8.0
71.14589	1.7
72.99306	43.8
73.02957	12.6
75.00869	16.5
76.57413	1.8
78.95908	2.1
83.01414	13.0
83.01823	1.9
85.02953	100.0
85.03458	3.6
87.00867	17.7
87.04514	62.4
94.80195	1.7
95.01377	10.1
99.00884	42.3
101.02444	41.7
113.02458	51.8
115.00346	2.6
121.47066	1.8
127.00389	7.6
128.84198	2.4
129.01918	4.1
131.03505	64.7
137.65044	1.7
157.01443	59.1
159.90056	2.1
175.02499	39.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01393	4.0
67.00318	0.7
71.05038	0.9
85.06593	42.1
85.07105	1.6
87.04506	1.4
89.40137	0.9
91.87913	0.8
96.60529	0.9
104.87581	0.8
113.06092	40.0
114.55797	0.8
115.04009	100.0
125.06011	0.8
126.55457	0.8
129.05547	1.1
131.07172	6.6
157.05060	6.8
175.06122	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.0979
Annotation	Acetyl-DL-Leucine
Peak:m/z	Relative Intensity
50.02178	0.5
59.74646	0.4
63.60497	0.4
73.88308	0.4
77.69427	0.5
78.13509	0.6
93.03454	0.5
96.03060	0.5
110.14922	0.6
112.68559	0.5
128.10802	2.8
130.08737	100.0
131.09097	1.1
162.59688	0.5
172.09789	14.3
180.06961	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	172.098
Annotation	Unknow
Peak:m/z	Relative Intensity
55.80374	0.6
56.14949	0.5
58.02987	1.1
63.84810	0.6
86.26202	0.7
93.03452	1.4
96.97114	0.8
111.00911	0.9
114.41275	0.7
128.10815	5.8
130.08736	100.0
131.09073	3.0
139.70717	0.7
155.60126	0.7
161.09598	0.7
165.12137	0.7
172.09790	17.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.009
Annotation	Dehydroascorbate
Peak:m/z	Relative Intensity
51.99006	1.5
52.76295	1.6
52.82915	1.9
53.55323	1.6
53.71807	1.6
55.01883	10.4
57.03457	8.1
58.00604	2.0
59.01388	19.3
64.57681	1.8
67.01888	8.2
68.99809	4.7
71.01377	86.8
71.65594	1.9
72.99316	12.6
73.02934	11.7
77.19514	1.9
81.56016	1.9
82.02983	4.6
82.75717	2.2
83.01389	13.4
85.02954	69.7
87.00885	10.4
92.10820	9.0
93.03437	2.9
96.99290	3.4
99.00875	40.6
101.02439	8.9
111.00140	4.3
111.00887	93.9
111.04516	4.5
112.98814	100.0
115.00365	8.5
124.98816	25.0
129.01941	11.6
129.05568	2.4
142.99863	72.0
154.99841	5.1
173.00903	10.7
173.04590	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	173.009
Annotation	cis-Aconitate
Peak:m/z	Relative Intensity
55.72173	0.6
59.01390	3.2
67.01906	1.3
71.01377	7.4
71.81956	0.7
72.99305	1.5
83.01387	1.1
85.02959	100.0
85.88871	0.6
86.03332	1.1
87.00886	1.3
99.00876	6.3
101.05608	0.6
111.00879	19.4
112.98820	22.7
122.41051	0.7
124.98806	4.2
129.01947	13.1
142.99866	7.5
163.68730	0.6
171.59372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	173.0454
Annotation	Shikimate
Peak:m/z	Relative Intensity
54.83229	0.6
57.03460	5.5
59.01386	6.2
59.43498	0.6
67.01900	3.9
69.03466	2.9
71.01386	2.6
72.99308	1.1
73.02951	2.5
83.01422	0.7
83.05029	5.4
85.02950	100.0
85.06587	36.2
85.07103	1.3
86.03300	0.7
87.00871	6.5
93.03466	4.3
99.00877	1.6
99.04526	1.4
101.02419	0.7
104.11041	0.6
111.00883	57.1
111.04523	16.3
112.01221	0.7
112.98847	2.7
113.02458	3.0
126.76618	0.7
129.01936	15.2
129.05577	14.5
137.02359	0.6
155.03537	8.3
165.87634	0.6
173.00885	1.4
173.04558	13.1
181.01559	0.7
189.43916	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0408
Annotation	2-Amino-3-oxoadipate
Peak:m/z	Relative Intensity
55.01883	28.1
57.03452	23.0
60.83257	2.4
63.31256	2.7
66.03492	34.8
68.05056	13.9
71.01388	6.0
72.00914	44.0
72.04562	4.2
73.02959	18.2
74.02473	85.9
74.02892	3.3
78.95899	47.1
82.02988	89.6
84.04578	4.3
85.02939	3.3
86.02519	3.9
87.00869	40.9
89.97594	3.8
93.41521	2.8
94.02980	67.3
98.02480	6.5
99.00880	85.8
100.00424	11.5
101.02439	25.6
112.04049	100.0
126.01968	19.0
126.46656	3.0
127.48855	3.1
130.05095	14.8
131.03372	3.4
131.61000	2.9
132.00612	2.9
144.03018	11.1
156.03055	23.5
174.04077	69.1
174.82935	3.1
179.02879	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	170.0459
Annotation	5-Amino-5-deoxy-3-dehydroshikimate
Peak:m/z	Relative Intensity
50.84787	0.2
59.01374	0.4
66.03449	0.2
71.01387	1.2
72.01723	0.3
78.95905	0.6
78.97054	0.3
83.05023	0.6
84.04517	0.3
91.36781	0.3
92.10139	0.4
94.02979	100.0
95.03327	1.7
97.02953	0.6
99.00870	2.1
111.00874	1.4
112.50338	0.2
116.25679	0.3
125.02443	0.3
126.02766	1.7
126.05537	0.3
127.04007	1.5
138.01965	8.8
170.01788	1.1
175.54352	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.0663
Annotation	4,7-dioxooctanoic acid
Peak:m/z	Relative Intensity
58.00599	2.4
59.01385	3.9
59.47092	0.5
64.35173	0.5
67.05531	1.0
71.01419	0.5
87.05626	0.5
95.05047	0.7
96.72276	0.5
97.94125	0.4
109.06590	9.5
127.07654	100.0
128.08005	3.0
139.04021	0.9
171.06606	4.1
171.10252	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	167.035
Annotation	Orsellinate
Peak:m/z	Relative Intensity
51.00277	1.1
78.95885	10.6
79.05535	2.9
80.02692	5.9
85.99684	1.1
93.22916	1.1
95.01387	21.8
107.37009	1.1
108.02184	100.0
109.02514	1.8
114.39085	1.2
122.03772	1.4
123.00880	12.3
123.04523	76.6
124.04881	2.3
131.65744	1.2
141.33263	1.1
150.48380	1.4
152.01163	6.8
167.03471	13.2
180.51959	1.3
184.50540	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.0302
Annotation	2-Furoylglycine
Peak:m/z	Relative Intensity
62.96008	0.2
65.03984	0.4
65.67548	0.2
65.99855	0.6
67.15257	0.2
68.19784	0.3
109.02966	1.7
121.02936	0.7
125.02468	2.9
137.01390	0.3
137.02441	13.2
138.03239	25.1
143.68913	0.3
168.03033	100.0
169.01454	0.6
169.03372	2.7
186.79102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	168.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97555	1.4
55.97981	1.8
58.02989	76.6
64.46691	1.8
68.99836	2.0
69.03476	3.8
92.10133	2.5
97.02982	2.8
108.18584	1.8
114.31194	1.8
124.01672	3.0
125.02457	100.0
138.49686	1.9
141.02036	2.5
150.62767	1.9
168.03171	7.3
168.13914	4.8
169.01457	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	169.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69667	0.5
57.08982	0.4
67.91943	0.5
69.03461	8.0
71.01368	0.8
76.04585	0.4
79.01897	1.2
80.96513	0.7
81.03473	3.2
92.10711	0.6
95.01385	0.8
97.02935	5.2
107.01331	0.6
124.01651	2.3
125.02445	100.0
126.02786	2.0
147.31207	0.5
150.97055	0.8
151.06662	0.5
168.98225	0.7
169.01439	29.8
170.01787	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.035
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03458	2.1
65.00345	1.9
80.02650	1.5
81.03457	23.8
83.01411	12.5
91.01892	2.2
95.01382	11.2
105.55453	1.6
107.01415	1.5
108.01461	2.2
108.02181	61.1
113.51851	1.6
123.00872	11.5
123.04533	100.0
124.04870	1.9
125.02468	7.7
143.95461	1.5
145.61662	1.7
149.09727	1.8
151.00385	7.0
152.01176	86.8
153.01518	2.4
167.02095	3.4
167.03514	80.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0351
Annotation	Orsellinate
Peak:m/z	Relative Intensity
56.53772	0.5
64.91505	0.6
80.02676	6.8
95.01414	2.4
95.35262	0.7
108.02182	100.0
109.02536	1.5
120.45866	0.7
123.00894	1.3
123.03609	1.3
123.04520	37.6
124.04864	1.0
146.70413	0.6
152.01164	5.2
167.02103	1.3
167.03513	34.3
168.03841	0.7
171.82147	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0557
Annotation	ISOPEONOL
Peak:m/z	Relative Intensity
54.82658	0.7
84.69071	0.7
85.19034	0.7
90.09763	0.8
91.01912	1.1
101.42339	0.8
108.02178	1.3
112.54977	0.8
121.02955	33.5
121.07688	0.8
122.03744	62.6
135.00894	5.1
135.86069	0.8
141.32741	0.8
149.02443	1.9
150.03233	100.0
151.03595	1.7
153.01938	1.4
165.01915	3.9
165.05580	62.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.051
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43116	0.6
60.97229	0.7
63.95620	0.6
67.01918	0.6
67.46156	0.6
76.98702	0.7
91.36946	0.8
92.05096	0.8
95.01395	3.6
103.67223	0.8
108.02162	1.0
112.27043	0.8
121.02981	3.3
121.05378	1.4
122.03312	7.1
123.00889	1.2
123.04527	1.3
135.04492	0.8
136.04155	0.8
136.05304	26.7
137.05670	0.8
147.80363	0.7
152.01184	0.9
166.05110	100.0
167.03586	4.2
167.05389	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	166.051
Annotation	4-Hydroxy-L-phenylglycine
Peak:m/z	Relative Intensity
51.43116	0.6
60.97229	0.7
63.95620	0.6
67.01918	0.6
67.46156	0.6
76.98702	0.7
91.36946	0.8
92.05096	0.8
95.01395	3.6
103.67223	0.8
108.02162	1.0
112.27043	0.8
121.02981	3.3
121.05378	1.4
122.03312	7.1
123.00889	1.2
123.04527	1.3
135.04492	0.8
136.04155	0.8
136.05304	26.7
137.05670	0.8
147.80363	0.7
152.01184	0.9
166.05110	100.0
167.03586	4.2
167.05389	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	166.0508
Annotation	Orthoform
Peak:m/z	Relative Intensity
57.93353	0.3
74.63919	0.3
93.03477	0.6
94.99826	0.4
95.01390	1.7
121.02951	15.2
122.03294	3.7
123.00891	1.3
123.04528	0.4
136.05289	9.7
145.22249	0.3
151.02759	27.1
152.03125	0.4
166.05104	100.0
167.03624	1.3
167.05386	3.3
183.01727	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	163.0403
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69802	0.5
57.03445	0.8
59.01389	3.4
65.12121	0.6
66.87952	0.5
71.01395	1.0
73.02961	3.5
82.32131	0.5
85.02958	1.1
91.05535	17.0
93.03458	1.1
101.02452	3.4
103.00375	2.9
119.05031	100.0
120.05349	3.1
135.04524	3.1
145.01517	0.9
162.89368	1.3
163.02518	3.5
163.04004	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	163.1117
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01394	7.5
60.58738	4.1
66.03497	3.9
73.02944	4.3
73.25768	5.6
84.14491	5.0
92.01430	5.2
101.02457	5.0
103.00384	10.4
116.92110	8.9
118.99271	100.0
119.05040	49.7
135.00862	5.2
162.83931	24.5
163.02528	5.2
163.11316	20.1
163.43385	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	164.0718
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
53.97330	0.7
66.67089	0.9
72.00909	35.0
72.79141	1.0
91.05546	2.4
103.60819	0.9
105.12476	0.9
111.37328	1.1
121.02964	4.1
121.35154	1.1
140.78770	1.0
147.04535	100.0
148.04883	5.1
164.07199	48.7
165.07518	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0194
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
69.39067	0.6
74.53860	0.5
76.35339	0.6
77.03989	0.9
82.95518	0.6
93.03473	0.9
113.52408	0.6
121.02962	100.0
122.03287	4.3
122.08051	0.7
165.01923	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	165.0404
Annotation	L-Arabinonate
Peak:m/z	Relative Intensity
55.01885	1.6
57.03458	1.6
58.32124	0.8
59.01384	12.7
61.30660	0.8
63.19532	0.7
71.01383	9.5
71.65772	0.8
72.99312	10.2
73.02956	4.6
75.00871	85.7
75.27310	0.8
87.00873	100.0
89.02460	4.5
99.00876	11.5
101.02446	3.9
105.01934	72.9
117.01958	4.1
129.01939	9.3
131.75316	0.9
135.02930	1.3
147.02994	11.3
164.67766	0.9
165.04051	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0401
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01397	1.3
60.38389	0.9
62.76667	0.9
66.35293	0.9
73.02946	1.2
84.86613	1.0
86.07682	1.0
87.25065	0.9
89.02370	1.0
91.05534	100.0
92.05853	1.1
103.00392	1.6
103.57130	1.1
118.28127	1.2
119.05032	43.5
120.05405	1.2
135.04543	8.2
135.05370	1.0
155.21506	1.4
163.02695	1.1
163.04008	8.4
171.96149	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0402
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
55.71185	0.4
58.26875	0.4
59.01389	2.7
71.40079	0.5
73.02948	2.0
75.73928	0.4
78.41267	0.5
91.18355	0.5
93.03473	2.3
101.02457	2.5
103.00370	0.9
105.16653	0.5
113.72752	0.5
119.05033	100.0
120.05363	2.3
124.80895	0.6
131.26578	0.5
136.35692	0.6
147.09691	0.5
163.02654	1.6
163.04027	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	163.0402
Annotation	m-Coumaric acid
Peak:m/z	Relative Intensity
53.67781	1.2
57.03464	1.2
59.01382	10.7
61.20747	1.1
66.04459	1.2
69.05825	1.4
71.01416	2.3
73.02966	6.9
91.01919	1.7
91.05538	25.4
93.03471	2.5
99.84872	1.4
101.02432	10.6
103.00372	8.0
103.90968	1.3
117.03495	1.5
118.99290	4.6
119.05029	100.0
135.04523	6.0
145.01437	2.2
145.03011	1.9
148.60744	1.3
162.83972	1.5
162.89354	2.7
163.00374	4.9
163.02509	9.9
163.04036	13.5
163.06129	2.4
163.11447	1.5
165.79752	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0248
Annotation	2-Dehydro-D-xylonate
Peak:m/z	Relative Intensity
55.01902	1.4
56.78388	1.2
57.03463	12.7
57.14427	1.2
59.01382	25.6
59.90313	1.3
60.33404	1.3
71.01377	23.6
72.99336	1.7
73.02943	66.4
73.03351	2.3
73.96634	1.3
79.28051	1.5
81.22165	1.4
83.01410	11.0
83.68826	1.6
87.00887	6.3
89.02470	2.1
99.00940	1.8
101.02433	65.5
103.00369	100.0
104.00753	1.6
115.00375	20.9
115.17435	1.4
117.01923	2.3
119.03507	22.0
127.00388	15.6
133.01440	8.7
145.01442	33.0
163.01132	2.5
163.02499	72.9
163.06245	1.5
167.95845	1.5
180.96889	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	163.0249
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72431	1.4
56.37587	1.4
57.03466	11.1
59.01383	21.7
71.01384	21.8
72.99308	3.6
73.02947	72.4
83.01393	14.9
87.00904	2.9
89.02463	2.2
92.10784	2.0
99.00913	1.9
101.02436	64.2
103.00378	100.0
103.01062	3.4
115.00378	21.8
117.02046	2.7
119.03505	17.8
127.00388	13.6
133.01443	14.5
140.97777	1.5
145.01443	41.1
146.01532	1.9
163.02501	71.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0821
Annotation	Oleandrose
Peak:m/z	Relative Intensity
52.40442	1.7
55.54698	1.5
57.03460	2.6
59.01389	21.3
63.12418	1.5
69.03455	2.0
71.01381	30.2
71.05026	30.8
73.02940	13.8
73.27952	1.8
73.40981	1.5
81.03473	2.6
83.01407	3.6
85.02945	26.5
87.00903	2.1
87.04510	14.0
89.02454	4.3
95.01357	3.7
95.83186	1.8
97.09128	1.7
99.04515	93.4
101.02446	12.1
113.02425	3.5
115.03999	36.7
115.07653	8.5
116.92869	2.0
117.05573	43.6
123.96740	1.6
131.03470	13.7
155.77321	1.6
160.84203	10.6
160.89247	2.9
161.04570	10.1
161.08195	100.0
161.89375	2.8
162.08504	2.6
179.91890	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0299
Annotation	3-Oxoadipate
Peak:m/z	Relative Intensity
55.01905	1.8
57.03466	7.4
59.01407	2.3
61.98835	17.8
63.91824	1.2
66.10223	1.1
69.03482	3.0
71.01405	3.0
71.05027	27.9
77.07236	1.1
80.01307	1.2
82.33818	1.1
83.01385	2.6
84.78755	1.1
85.02962	6.1
85.91680	1.1
86.94143	1.5
87.04523	20.6
97.02949	27.8
113.02462	1.2
115.00394	3.0
115.04012	100.0
116.04383	2.0
116.92860	3.1
141.01932	1.5
159.03001	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	159.0299
Annotation	2-Formylglutarate
Peak:m/z	Relative Intensity
61.69843	1.5
63.05450	1.1
69.03445	2.6
71.01380	2.0
71.05022	21.0
78.24993	1.4
87.04507	16.8
95.87710	1.2
97.02924	2.0
112.90414	1.4
113.02493	1.4
115.04015	100.0
116.04363	2.0
153.14371	1.5
159.02991	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	159.0662
Annotation	3,3-Dimethylglutaric acid
Peak:m/z	Relative Intensity
50.95502	0.3
59.01380	2.7
68.01187	0.4
68.60942	0.5
71.01362	0.5
72.95700	0.4
73.02968	0.5
79.21756	0.4
82.93648	0.4
85.57253	0.4
86.51257	0.4
89.49505	0.5
97.06578	3.5
99.92585	4.9
102.31357	0.4
114.94933	3.4
115.07650	100.0
116.07978	1.8
116.92862	15.9
117.05572	1.1
117.92906	1.8
125.67243	0.4
141.05583	6.4
158.89264	0.5
158.93950	1.0
159.06639	32.8
159.89407	2.1
177.47612	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.0663
Annotation	3,3-Dimethylglutaric acid
Peak:m/z	Relative Intensity
51.75171	0.5
52.14117	0.4
52.15749	0.4
54.98368	0.4
79.34167	0.4
80.04549	0.4
97.06604	3.4
97.18758	0.4
98.89673	0.4
99.92600	2.0
102.78120	0.4
112.01663	0.5
114.94994	0.8
115.07653	100.0
116.07974	1.9
116.92850	6.2
120.33106	0.4
123.38493	0.4
141.05598	6.4
144.56204	0.4
159.06644	31.4
165.69220	0.4
175.22041	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01392	1.9
71.01412	1.0
71.05025	35.8
71.05408	1.3
72.99312	6.0
73.02948	10.0
87.00878	100.0
87.04565	1.1
88.01236	1.1
99.04525	44.1
101.02449	21.0
115.04021	8.8
117.05589	5.1
143.03519	13.4
161.04581	53.9
162.04950	1.3
174.76576	0.9
179.41098	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0456
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
50.59095	1.3
54.55619	1.3
54.83010	1.7
55.74777	1.4
57.03453	70.6
59.01381	25.6
71.01367	2.0
71.05019	45.0
73.02954	6.9
87.00884	12.3
99.04512	100.0
101.02438	62.3
109.32384	1.5
115.04003	24.2
117.05583	33.0
119.34637	1.8
131.03610	1.7
143.03514	74.4
144.03833	1.8
157.44243	1.8
161.04570	47.8
164.49777	1.6
182.07982	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	161.082
Annotation	Oleandrose
Peak:m/z	Relative Intensity
60.10587	1.3
61.10397	1.3
71.01395	7.8
71.05021	24.9
71.37802	1.5
83.71555	1.4
85.02934	1.9
85.06599	2.1
87.04514	17.8
99.04517	80.8
114.41154	1.5
115.04016	32.1
115.07659	7.6
117.05579	44.2
117.06403	1.6
161.08202	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	161.082
Annotation	Oleandrose
Peak:m/z	Relative Intensity
57.03463	4.6
59.01381	47.3
69.03449	2.2
71.01379	59.2
71.05021	34.3
71.05373	3.0
72.99315	3.3
73.02950	28.3
75.00893	2.1
76.57082	1.9
81.03476	3.7
83.01375	16.5
85.02950	58.3
85.03438	3.1
87.00896	3.4
87.04514	17.9
89.02452	11.3
95.01382	3.1
97.02945	4.2
99.04517	86.8
99.05165	3.3
101.02431	21.9
113.02432	9.2
115.04010	37.0
115.07668	10.4
116.92871	4.3
117.05592	39.6
131.03505	24.9
133.02940	4.4
158.60483	2.2
160.84232	20.4
160.89299	8.4
161.02415	8.4
161.04611	17.1
161.08211	100.0
161.89366	3.5
162.08557	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	158.0823
Annotation	Acetyl-DL-Valine
Peak:m/z	Relative Intensity
57.03436	0.5
58.02984	3.4
59.01384	5.9
71.01394	1.2
71.54069	0.5
90.00438	0.6
93.72862	0.7
95.05005	0.7
99.92570	8.1
113.06070	0.9
114.09254	6.3
114.94904	4.7
115.04004	0.9
116.07176	100.0
116.92853	19.2
116.94037	1.4
117.07502	2.6
128.05017	0.7
134.64059	0.6
158.06252	0.9
158.08224	17.4
158.89323	3.7
158.93889	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	158.9391
Annotation	Unknow
Peak:m/z	Relative Intensity
52.82138	0.4
53.54982	0.4
54.49279	0.4
57.00079	0.4
57.38644	0.5
59.01390	6.2
61.98857	0.4
69.08592	0.4
71.01386	0.6
73.02956	0.7
82.30406	0.4
86.95438	2.6
87.81440	0.4
99.92587	34.2
100.92622	0.8
101.02447	0.8
104.54832	0.5
107.31496	0.5
114.92027	0.6
114.94936	23.6
115.92066	0.6
116.92865	100.0
117.92905	5.2
151.60408	0.5
158.84669	0.9
158.89313	2.0
158.93924	11.3
159.89404	1.0
170.63037	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
52.23062	0.5
59.01392	2.5
94.00214	0.6
95.11951	0.5
97.55745	0.5
113.06084	100.0
114.06413	2.2
156.90225	0.6
157.05060	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	157.0507
Annotation	(1S,4S)-4-Hydroxy-3-oxocyclohexane-1-carboxylate
Peak:m/z	Relative Intensity
52.12112	2.0
59.01387	35.4
63.97223	3.1
64.35085	2.8
67.14098	2.4
68.61420	2.2
78.85695	2.7
81.49352	2.8
84.99313	2.8
92.31938	2.6
92.32607	2.7
96.55785	2.8
113.06098	100.0
142.19395	2.9
156.89494	5.5
157.05040	19.0
157.08705	3.3
157.12389	24.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.0458
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82885	0.6
55.01874	1.1
57.03456	8.6
59.01380	1.4
69.03467	5.8
71.01385	0.7
71.05029	0.8
82.02985	17.1
84.04549	100.0
85.02974	4.4
85.04854	0.8
86.06113	47.2
92.10821	1.5
93.47581	0.8
94.02990	0.9
96.04555	5.9
97.02959	18.2
99.00884	0.9
101.02476	0.8
112.04053	63.2
114.05610	12.0
115.04044	5.7
120.70390	0.8
126.01954	1.1
128.03543	63.3
129.01952	1.4
134.88112	0.8
140.03580	1.1
154.08728	0.7
156.54614	0.8
158.04596	70.3
158.08308	1.2
159.03012	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	154.0147
Annotation	4-Nitrocatechol
Peak:m/z	Relative Intensity
57.87472	0.5
59.01384	1.3
64.35239	0.7
64.40572	0.6
65.99861	1.2
85.09596	0.6
92.36981	0.6
123.00883	12.2
124.01663	31.2
154.01474	100.0
155.01805	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	156.0303
Annotation	Unknow
Peak:m/z	Relative Intensity
58.43913	0.4
62.82577	0.4
66.03513	0.7
69.03458	0.6
76.54647	0.5
77.11918	0.5
81.32451	0.5
82.02980	6.2
84.04549	100.0
85.02978	1.0
85.04903	0.8
94.02980	94.4
95.03320	0.9
97.01703	1.2
112.04066	5.2
126.01957	0.8
138.01981	22.2
138.02983	0.8
147.92421	0.6
156.03047	3.0
161.68047	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68272	0.4
55.46875	0.5
59.01402	3.0
67.96835	0.6
73.62547	0.5
83.58000	0.5
91.94898	0.6
94.19074	0.6
112.47002	0.5
113.06097	100.0
114.06415	2.3
157.05086	10.5
176.07898	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0401
Annotation	Isovanillin
Peak:m/z	Relative Intensity
50.81559	0.5
57.03413	0.6
59.01387	12.5
74.42763	0.6
76.48102	0.5
80.02677	19.7
95.01389	0.6
107.01395	26.5
108.02190	75.8
109.02509	0.8
123.00890	5.9
123.04530	2.6
124.01692	1.0
136.01666	94.4
137.01978	2.5
151.04022	100.0
152.04376	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	152.0354
Annotation	3-Aminosalicylic acid
Peak:m/z	Relative Intensity
50.65786	0.2
53.75390	0.2
56.95811	0.2
59.01392	0.3
59.33564	0.2
66.52046	0.2
109.02966	3.1
114.76860	0.2
121.02949	1.2
122.03741	41.6
123.04079	1.2
133.41235	0.3
146.59651	0.2
152.03546	100.0
153.01938	0.8
153.03902	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	152.0354
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01382	0.8
60.01685	0.4
78.03500	0.8
106.02993	0.6
107.03794	6.1
108.02201	0.6
109.02956	8.3
121.02946	0.6
122.03736	30.1
152.03543	100.0
153.01933	1.4
153.03865	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	153.0194
Annotation	2,3-Dihydroxybenzoic acid
Peak:m/z	Relative Intensity
53.45130	0.4
55.46710	0.4
59.01374	0.5
60.59881	0.5
65.03633	0.8
65.03968	20.3
67.01900	8.6
68.47910	0.5
68.85197	0.5
82.80771	0.5
87.51695	0.4
91.01888	6.6
101.19443	0.5
108.02222	0.7
109.02966	100.0
110.03298	2.5
121.86224	0.5
135.00891	29.1
141.23195	0.4
144.28714	0.5
146.37369	0.4
146.82780	0.6
153.01953	65.4
154.02321	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	149.0091
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41376	1.1
54.51529	0.9
59.01384	24.6
63.48970	1.0
72.99306	83.4
75.00880	6.4
87.00876	100.0
103.00381	20.4
105.01952	7.9
108.88619	1.2
130.99878	5.3
149.00931	77.9
149.16277	1.3
152.92714	1.0
154.45740	1.2
164.05345	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	149.0455
Annotation	DL-Xylose
Peak:m/z	Relative Intensity
57.13088	1.0
58.45577	0.9
59.01384	41.9
63.25460	0.9
64.58738	0.8
69.03458	1.9
71.01388	7.1
71.78377	1.0
72.99306	97.5
73.02940	9.1
75.00871	71.4
75.01299	2.1
84.88940	1.0
85.02957	1.5
87.00874	100.0
89.02443	19.5
90.48519	1.0
92.10154	1.9
103.00352	15.3
103.04022	1.9
105.01953	7.2
130.99829	2.3
131.03500	9.4
149.00926	86.4
149.04561	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.13088	1.0
58.45577	0.9
59.01384	41.9
63.25460	0.9
64.58738	0.8
69.03458	1.9
71.01388	7.1
71.78377	1.0
72.99306	97.5
73.02940	9.1
75.00871	71.4
75.01299	2.1
84.88940	1.0
85.02957	1.5
87.00874	100.0
89.02443	19.5
90.48519	1.0
92.10154	1.9
103.00352	15.3
103.04022	1.9
105.01953	7.2
130.99829	2.3
131.03500	9.4
149.00926	86.4
149.04561	48.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0453
Annotation	4-Hydroxycinnamyl aldehyde
Peak:m/z	Relative Intensity
55.01894	0.8
59.01402	2.2
68.99822	0.5
71.01392	9.1
76.58455	0.3
84.37000	0.3
84.99333	0.4
85.02967	0.7
89.81101	0.3
93.03480	0.5
96.23423	0.3
99.00887	5.2
104.68561	0.3
117.09450	0.4
119.05030	7.7
129.01950	0.4
129.03471	2.9
130.95148	0.5
147.04535	100.0
148.04897	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	149.0092
Annotation	Unknow
Peak:m/z	Relative Intensity
59.01381	26.6
63.70281	0.5
72.99306	76.6
75.00864	4.9
80.07757	0.5
87.00872	100.0
92.10093	0.8
103.00371	16.4
105.01935	7.3
127.67428	0.5
130.99864	3.8
137.71478	0.6
139.67143	0.7
149.00920	83.1
165.88618	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0091
Annotation	D-Tartaric acid
Peak:m/z	Relative Intensity
52.19007	0.8
58.65787	0.8
59.01395	28.6
59.60670	1.2
72.99314	78.5
75.00880	15.8
87.00880	100.0
89.02468	4.0
103.00364	13.1
105.01950	7.6
120.08858	1.0
130.99875	4.1
149.00928	84.1
149.04604	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	147.0453
Annotation	3-Hydroxy-1-indanone
Peak:m/z	Relative Intensity
54.56049	1.8
54.82847	1.9
55.01891	12.7
57.03452	3.3
58.00621	2.0
59.01390	31.3
61.98840	39.3
68.99854	3.3
71.01394	100.0
75.00866	5.2
79.88899	2.0
84.99328	26.4
85.02972	5.2
87.00880	5.2
88.98789	2.1
89.02447	4.7
99.00893	56.0
101.02455	9.7
103.34341	2.5
119.05019	4.9
128.98279	4.1
129.01947	9.9
147.03030	4.3
147.04541	71.8
158.23344	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	147.03
Annotation	(S)-2-Hydroxyglutarate
Peak:m/z	Relative Intensity
55.65482	0.8
56.67264	0.8
57.03459	19.0
57.15131	0.8
59.01394	5.1
59.98278	0.8
62.48073	0.8
71.01383	14.7
72.99309	44.8
73.02944	10.0
75.00858	1.1
80.63908	0.9
81.87940	0.9
85.02952	100.0
86.03313	1.2
89.22011	0.9
92.10767	1.2
92.66239	1.2
99.00880	7.2
101.02457	8.3
103.04021	5.7
107.81317	0.9
110.15781	0.9
129.01955	32.2
147.03009	36.9
164.95001	0.9
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	Unknow
Peak:m/z	Relative Intensity
57.03453	23.1
73.02956	8.5
83.01398	2.9
88.11479	1.2
99.00873	2.8
101.02443	100.0
112.76908	1.5
120.30838	1.4
145.01428	6.6
157.42545	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0872
Annotation	2-Hydroxyheptanoic acid
Peak:m/z	Relative Intensity
50.58457	1.5
56.86634	1.5
97.06602	2.0
99.08159	100.0
134.94325	1.6
145.08730	63.5
145.90639	1.8
156.97240	1.6
158.45897	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80463	0.5
51.44120	0.5
54.06852	0.5
57.03456	25.4
57.08130	0.6
59.01138	0.6
59.01382	5.3
72.99306	19.6
73.02943	12.4
76.57757	0.8
80.89022	0.7
85.02952	100.0
87.00874	73.0
101.02443	6.3
103.04005	12.3
104.46850	0.7
108.74057	0.8
109.63152	0.7
117.01937	1.8
129.01945	31.7
147.03012	50.8
147.06706	0.9
158.18280	0.7
158.82541	0.8
159.80569	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0299
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03450	19.3
59.01388	7.4
72.99296	2.1
73.02945	3.7
75.11174	0.8
78.65422	0.9
82.92941	0.8
84.01321	0.9
85.02950	75.7
87.00874	100.0
101.02463	3.9
103.04020	10.7
115.76647	0.9
117.02003	0.9
120.66351	0.9
129.01941	21.6
147.03008	45.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.0351
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99923	0.6
58.00606	3.8
66.02874	0.7
67.01895	31.9
69.03461	1.1
71.01386	1.5
71.05034	0.6
72.00909	17.9
72.04567	0.9
72.10970	0.6
73.02944	0.7
80.67947	0.6
81.03461	1.0
85.02982	2.8
99.04515	19.3
102.07401	0.8
111.00893	100.0
112.01232	0.9
115.03976	2.5
127.34959	0.7
143.03522	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	143.0714
Annotation	SCHEMBL9008708
Peak:m/z	Relative Intensity
50.19952	0.6
63.49177	0.7
71.01392	1.0
72.99307	47.5
76.30483	0.8
90.69251	0.7
97.06586	42.7
97.07193	1.4
99.08163	1.4
106.69286	0.8
125.06082	100.0
126.06441	2.9
129.03212	0.8
143.07146	33.5
144.07404	0.8
162.69160	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.0303
Annotation	4-Oxoglutaramate
Peak:m/z	Relative Intensity
54.83099	1.2
55.18253	1.0
65.97723	1.4
71.01394	1.5
72.00909	100.0
72.04557	6.4
73.02959	1.5
83.01403	2.7
98.02485	7.7
100.04050	5.6
101.02438	4.8
103.25409	1.1
112.01231	2.3
127.00343	1.6
139.69611	1.2
144.03093	6.1
145.05072	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	145.0143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50405	0.9
55.01883	1.1
57.03455	39.4
68.20215	1.0
71.01393	1.6
73.02938	13.5
78.80849	1.0
80.27092	1.1
83.01389	96.0
90.85325	1.0
90.95119	1.1
97.70041	1.1
99.00882	1.7
101.02444	89.2
102.02749	1.1
127.00372	100.0
145.01439	31.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	143.035
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
52.81018	0.8
54.83088	0.8
57.03466	1.3
58.00608	5.4
58.02969	1.4
58.10976	0.7
67.01895	34.4
69.03454	0.9
70.61991	0.8
71.01381	3.7
71.05035	1.3
72.00923	1.7
75.15562	0.7
76.53608	0.7
81.03472	3.6
83.01411	1.7
85.02962	3.6
91.48509	0.8
91.60366	0.8
99.04518	28.8
100.04035	5.0
101.04367	10.3
103.41994	0.9
111.00889	100.0
112.01253	0.9
113.02484	1.4
115.03999	10.0
115.84080	0.8
119.03146	0.8
119.53597	0.9
124.98871	0.9
136.16942	0.8
142.99873	1.3
143.02560	1.3
143.03540	8.2
143.05435	1.8
146.28845	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0245
Annotation	4-hydroxy-benzoate
Peak:m/z	Relative Intensity
54.82872	0.3
65.03963	0.4
65.14089	0.2
76.29154	0.3
80.55148	0.3
93.03457	100.0
94.03775	2.2
108.02236	0.4
136.86371	0.3
137.02452	25.5
138.02815	1.1
159.77910	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
54.82785	0.2
58.06192	0.2
65.03965	1.3
77.48242	0.2
93.03457	100.0
94.03800	2.8
95.79603	0.2
137.02454	25.7
138.02831	0.4
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
77.38447	0.2
89.35954	0.2
92.02671	0.3
108.02183	50.0
109.02533	1.0
114.68835	0.3
115.37988	0.3
116.37805	0.2
128.80647	0.2
138.01979	100.0
139.02321	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	138.0197
Annotation	6-Hydroxynicotinic acid
Peak:m/z	Relative Intensity
55.75412	0.1
63.74873	0.2
66.03498	0.3
67.01908	0.3
68.23862	0.2
76.60455	0.2
79.95747	0.7
94.02986	100.0
94.40155	0.2
94.98091	1.3
95.03312	1.8
104.35146	0.2
117.16095	0.2
138.01967	1.3
138.97049	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	142.0509
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00313	0.7
58.02979	13.3
59.20492	0.3
65.37975	0.3
67.01897	0.6
71.01373	0.8
71.05038	0.5
73.63622	0.3
81.58650	0.4
82.03008	0.4
84.98632	0.3
84.99918	0.3
94.60194	0.4
96.99306	0.4
98.06114	11.8
100.04041	100.0
101.04388	0.8
106.48488	0.4
111.00874	1.7
112.98815	0.8
124.98788	1.4
135.40707	0.3
142.04112	0.6
142.05116	8.4
142.99860	3.3
149.00182	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
55.52889	0.4
56.55981	0.4
59.01376	0.9
63.95682	0.4
71.01388	70.4
72.01714	0.5
72.99309	15.1
75.00861	0.8
87.00885	5.5
87.04535	1.0
89.02448	9.0
97.89652	0.5
103.69902	0.5
115.00375	100.0
116.00743	0.8
133.01433	30.4
133.05077	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	133.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
50.98532	0.5
57.03454	31.9
57.70226	0.5
59.01381	1.0
69.03462	4.7
71.01383	71.4
72.99313	15.3
75.00882	1.3
85.02940	1.1
87.00883	7.2
87.04525	8.7
89.02449	8.5
98.02242	0.7
113.02454	1.1
115.00381	100.0
115.04038	3.4
116.00752	0.7
123.05862	0.7
133.01440	30.2
133.05074	49.6
134.05385	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0506
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78067	0.4
59.01385	3.7
71.01382	100.0
72.01723	1.0
72.99309	9.5
78.37833	0.4
87.00877	27.7
87.04521	6.6
89.02446	18.9
115.00378	80.0
116.00711	2.2
133.01434	24.3
133.05075	57.8
134.01854	0.7
134.05487	0.6
152.73544	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0244
Annotation	Salicylic acid
Peak:m/z	Relative Intensity
60.31839	0.4
81.03474	2.1
83.44869	0.4
84.38513	0.5
93.03455	82.0
94.03796	0.8
99.73219	0.4
107.99953	0.4
108.02180	3.4
109.02962	2.8
136.01642	7.0
136.89182	5.4
137.02449	100.0
138.02806	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	133.0142
Annotation	Unknow
Peak:m/z	Relative Intensity
53.50270	0.2
59.01378	1.1
63.92324	0.3
64.34969	0.3
71.01383	64.6
72.99311	15.0
72.99632	0.3
87.00891	1.4
89.02450	7.4
104.95104	0.2
115.00381	100.0
116.00690	0.4
121.11002	0.3
133.01434	26.8
153.25467	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.0142
Annotation	Malic acid
Peak:m/z	Relative Intensity
51.75896	0.3
59.01381	1.6
62.84152	0.3
67.29057	0.3
71.01382	61.6
72.99308	12.8
73.85690	0.3
87.00885	1.9
89.02438	6.8
92.10777	0.4
103.01994	0.3
109.72694	0.3
115.00371	100.0
116.00721	0.3
133.01427	27.7
145.28825	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0557
Annotation	beta-Ketoisocaproate
Peak:m/z	Relative Intensity
55.01899	1.0
57.03462	1.1
59.01389	1.1
71.01399	0.7
83.05062	3.1
85.02979	4.4
85.06597	100.0
86.06947	1.3
111.04539	10.3
128.90163	3.0
129.01929	1.2
129.05579	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	beta-Ketoisocaproate
Peak:m/z	Relative Intensity
55.01907	1.3
56.31230	0.5
57.03470	1.2
57.55218	0.6
59.01393	1.1
81.03454	0.6
83.05045	4.5
85.02959	2.9
85.06595	100.0
86.06951	1.0
111.04543	11.5
128.90175	1.3
129.01941	1.3
129.05583	29.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.035
Annotation	Glutaric acid
Peak:m/z	Relative Intensity
56.83556	0.3
64.06837	0.3
69.03445	0.5
71.70152	0.3
75.42819	0.3
87.04510	100.0
88.04846	2.0
92.10693	0.5
113.02449	5.2
131.03499	22.1
132.11559	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0713
Annotation	2-Ethyl-2-Hydroxybutyric acid
Peak:m/z	Relative Intensity
58.57939	1.2
67.91204	1.2
80.49422	1.3
85.06597	100.0
92.10139	5.0
117.48099	1.5
131.07143	64.3
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	Unknow
Peak:m/z	Relative Intensity
52.47139	1.3
55.01885	1.9
57.03468	12.7
63.35477	1.2
67.01917	15.4
71.01395	3.2
85.02962	100.0
88.04058	14.2
92.10191	1.7
99.00892	1.8
129.01967	13.6
130.08728	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	129.0195
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01888	7.5
57.03458	28.3
59.01414	0.9
60.92260	0.8
63.58771	0.8
65.96067	0.7
67.01896	43.0
71.01383	11.7
73.02949	1.4
79.84280	0.8
83.01417	3.7
85.02953	100.0
86.03276	1.0
92.10798	1.0
99.00899	1.5
129.01938	9.3
129.05583	1.2
129.07585	1.0
148.02342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.0558
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
52.68431	4.6
55.01897	8.1
57.03461	21.9
59.01383	23.6
60.09719	5.0
67.01902	10.4
69.03468	5.4
71.01379	7.8
73.02953	7.1
83.05031	11.5
84.14700	4.4
85.02961	74.5
85.06612	5.7
91.83183	4.3
93.11318	5.1
101.02447	4.6
111.04539	9.8
116.32940	5.2
128.90158	27.0
129.01953	34.7
129.05579	100.0
134.58565	5.3
137.64268	4.4
147.60022	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	129.0558
Annotation	2-Hydroxyethyl methacrylate
Peak:m/z	Relative Intensity
55.01903	4.7
57.03460	8.4
59.01389	5.4
64.12636	3.7
67.01907	5.1
70.55637	4.9
73.02929	7.3
79.94109	3.4
85.02953	46.0
85.06595	6.5
86.68446	4.0
101.02446	4.7
115.14522	4.0
115.15362	5.4
128.90173	29.5
129.01941	26.2
129.05579	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	125.0609
Annotation	cis-1,2-Dihydro-3-methylcatechol
Peak:m/z	Relative Intensity
50.72915	2.6
54.82875	3.2
54.83131	3.0
57.03464	7.4
57.39946	2.9
59.01398	2.7
65.04028	2.9
69.03452	31.5
70.79134	3.4
81.03455	4.8
83.01450	4.0
97.02962	8.2
97.06609	3.4
125.02449	100.0
125.06081	51.2
143.98688	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	127.0766
Annotation	Unknow
Peak:m/z	Relative Intensity
56.48483	5.1
64.20573	5.7
66.45141	5.2
67.48217	5.4
71.02669	6.7
79.60993	5.5
83.05009	6.4
92.66599	6.2
97.76507	4.8
119.53412	6.9
126.90435	100.0
127.00394	14.5
127.04065	6.4
127.07670	49.8
127.24726	5.5
128.03542	46.1
131.03192	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	129.0194
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60482	0.7
55.01899	1.9
57.03458	10.4
65.56811	0.7
67.01895	15.5
68.33263	0.8
71.01389	1.8
78.30595	0.7
85.02953	100.0
86.03292	1.7
88.04045	4.2
96.39999	0.7
98.94053	0.7
101.02429	0.9
101.51202	0.9
126.26050	0.8
129.01953	9.6
138.43932	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	117.0193
Annotation	Succinic acid
Peak:m/z	Relative Intensity
52.43515	0.2
55.01897	0.4
55.41301	0.2
69.35025	0.2
71.13495	0.2
71.30974	0.2
73.02952	100.0
74.03294	0.6
83.03022	0.3
84.63171	0.3
85.46690	0.2
87.10617	0.2
99.00880	9.4
99.92597	0.3
116.73035	0.3
116.92860	2.5
117.01942	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0294
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.20886	0.2
64.51575	0.2
68.55548	0.2
78.09415	0.2
91.01897	0.5
92.02661	0.3
93.03431	1.3
93.28268	0.2
95.01400	0.3
108.02187	1.9
108.69639	0.2
120.02181	0.2
121.02954	100.0
122.03298	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	1157.5543
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03484	3.7
83.01411	3.2
89.02454	2.4
97.02930	3.6
101.02451	4.6
109.02943	3.9
115.48091	2.1
122.03784	2.7
123.04463	3.2
124.17723	2.3
125.02442	56.0
135.04562	5.6
137.02438	42.4
145.54248	2.5
146.03751	22.8
149.02444	2.6
151.04022	5.5
159.04559	16.7
164.01183	14.1
165.01935	31.5
166.02249	2.6
167.03479	9.6
172.05304	4.1
173.06079	5.9
174.03206	11.9
174.06757	3.2
177.01891	4.3
179.03537	5.0
187.04063	3.4
188.04828	4.1
200.04791	5.1
201.05603	4.1
209.06151	2.8
212.04768	9.9
221.06694	4.4
225.05605	5.5
251.07185	2.5
268.07413	3.7
269.11810	10.4
271.13403	37.1
277.21640	9.2
283.13571	4.5
289.14432	16.9
294.08801	4.2
295.13522	3.0
297.15143	3.2
299.12952	5.1
313.14471	18.3
315.15863	3.3
317.13843	9.1
325.14615	17.7
337.14603	13.0
343.15601	9.4
377.17386	3.5
379.10300	2.7
379.15555	2.5
393.16977	4.7
395.18640	5.1
419.18784	14.0
437.19720	13.7
558.51501	3.0
660.68579	2.9
989.51501	15.1
1001.49811	9.5
1013.50806	5.2
1019.52661	12.8
1095.55261	22.2
1121.53918	10.5
1139.54272	100.0
1157.55188	75.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	115.0036
Annotation	Maleic acid
Peak:m/z	Relative Intensity
52.21037	1.6
55.48341	1.4
57.69355	1.4
57.79585	1.6
63.95423	1.6
68.99686	1.7
71.01382	100.0
71.01775	3.3
73.53757	1.8
87.53828	1.8
115.00368	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	1139.7101
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02962	2.8
89.02476	7.9
90.69269	1.9
92.10762	7.9
97.02959	9.9
101.02468	7.8
109.06590	14.2
113.02455	3.7
119.03542	2.7
125.02457	2.5
138.65408	1.6
163.11333	11.0
165.23601	1.7
181.12457	1.9
207.10307	68.0
225.11380	23.2
235.08282	3.1
255.23318	54.8
353.30823	1.7
363.63516	1.8
370.68771	1.7
379.12469	7.0
397.13644	34.7
415.14584	6.6
513.28906	2.0
605.24652	6.6
623.25647	3.0
653.37689	3.3
817.80713	1.9
861.48572	100.0
862.49640	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	1139.4447
Annotation	Unknow
Peak:m/z	Relative Intensity
93.03460	78.9
108.02206	4.5
109.02974	1.2
117.03421	1.0
121.02967	3.1
123.04536	5.0
125.02373	0.9
134.03746	72.5
135.04518	1.5
137.02429	1.0
140.43193	0.7
145.03014	1.4
149.02512	0.9
149.06104	57.6
151.04050	3.7
160.22079	0.7
165.05612	3.4
173.02426	0.9
197.06136	2.7
209.06166	1.6
212.42860	0.7
223.07776	0.8
224.04840	1.3
225.05560	3.3
237.05666	1.7
241.05125	3.3
242.07922	0.8
250.06242	0.9
252.04214	5.0
253.05112	72.6
265.05194	5.0
266.05930	3.4
267.06693	14.0
268.07474	1.4
280.03894	1.2
281.04788	1.5
281.08286	3.1
283.06577	1.1
293.04691	3.8
294.05420	3.4
295.06152	5.0
296.06943	1.1
301.08762	4.3
302.09473	1.6
309.07709	12.1
315.10236	5.4
323.09409	3.2
325.10938	4.7
328.07532	1.1
329.08316	7.1
329.11719	0.8
339.12555	5.8
340.07489	3.8
343.09824	5.0
344.10696	8.3
345.11661	2.8
346.08627	1.0
357.07617	6.0
359.13065	3.8
371.09521	2.9
372.10107	10.8
373.10883	1.1
387.12509	11.6
389.10327	7.1
417.13583	0.9
419.15088	71.8
433.16623	17.7
445.12775	3.2
462.70261	0.9
475.17731	46.6
498.99963	0.9
532.89783	1.0
559.61304	0.8
569.21942	100.0
570.22363	1.1
1050.05542	1.0
1139.51001	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5708
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03477	2.8
83.01405	10.1
85.58295	2.3
89.02448	2.3
97.02968	3.1
101.02416	3.5
101.45219	2.2
109.02932	3.2
110.49191	2.4
125.02447	49.0
135.04561	3.0
137.02440	42.8
146.03770	20.5
159.04529	10.3
164.01193	11.1
165.01913	30.2
167.03532	9.9
172.05331	4.0
173.06108	2.9
174.03357	7.5
175.03967	3.3
177.01952	3.7
179.03539	3.7
187.04007	2.6
188.04778	4.5
194.75015	2.4
197.68051	2.8
200.04758	4.8
201.05614	2.8
212.04846	9.2
225.05627	8.3
252.07870	4.6
255.23380	20.9
269.11826	3.3
271.13406	30.5
271.55042	2.2
283.13486	8.7
285.14880	3.9
289.14386	5.5
294.09000	4.4
299.12878	9.1
303.88141	2.4
313.14566	15.5
325.14359	16.6
335.16568	4.0
337.14529	9.7
343.15536	5.0
347.23502	2.6
353.17776	3.7
377.17453	5.1
393.17612	2.4
395.18915	4.8
419.18433	17.6
437.19785	12.0
469.95676	3.0
967.52582	12.7
979.52362	9.0
979.71234	2.9
991.52429	9.7
997.54584	12.3
1073.56384	19.4
1091.56616	3.2
1099.54163	9.9
1117.56104	100.0
1118.54663	3.1
1135.57202	74.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5719
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03467	3.0
83.01415	8.5
87.00909	3.1
88.71153	1.5
89.02448	3.9
93.03481	2.6
95.01421	2.3
97.02954	4.1
99.04556	3.1
101.02452	3.8
109.02969	8.7
113.02471	2.4
113.84597	1.7
121.02925	4.6
125.02453	54.4
135.04553	4.2
137.02461	44.8
139.04089	1.8
146.03734	20.3
149.06093	2.2
151.04002	3.5
156.69560	1.9
159.04518	8.5
161.05988	2.5
164.01155	9.6
165.01959	30.5
167.03517	12.7
171.22119	1.8
172.05334	9.4
173.06061	2.5
174.03195	13.4
174.06964	4.0
175.04056	3.3
177.01897	2.4
179.03532	4.1
187.03973	2.5
188.04765	10.3
200.04868	7.8
200.08362	2.3
201.05779	3.1
204.04266	2.4
210.06755	1.9
212.04857	4.0
225.05681	3.6
226.06310	2.8
227.07227	2.3
239.07260	2.6
245.12160	2.1
251.07205	4.3
255.13876	2.7
255.23331	24.9
268.07730	3.1
268.14142	2.0
269.11826	3.9
270.09137	2.2
271.13428	32.1
283.13327	3.2
285.14908	3.1
287.13028	2.3
289.14557	8.8
294.09167	4.0
295.13324	2.5
299.13120	13.3
311.12762	1.9
313.14450	17.0
325.14520	15.1
335.16776	2.9
337.14520	12.1
343.15472	3.0
377.17596	4.4
379.15698	2.6
393.16895	3.5
395.18896	7.1
419.18774	20.5
437.19684	8.4
967.53271	19.8
979.53265	9.1
991.52747	10.9
997.53546	9.9
1030.96057	2.3
1073.56873	14.9
1099.54993	4.4
1117.56104	100.0
1135.57202	88.3
1136.56763	2.6
1173.25623	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	1131.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01413	0.3
100.71502	0.2
107.01397	2.6
108.02183	0.4
109.02981	1.0
121.02952	1.4
125.02431	2.6
135.00877	0.4
137.02475	0.4
148.01636	0.6
149.02396	0.3
151.00385	10.5
153.01909	0.3
161.02438	0.4
163.00380	1.9
164.01132	0.4
164.92256	0.3
169.01418	1.7
177.01837	0.3
178.99861	5.5
183.04474	0.4
187.04004	0.6
190.99925	0.3
191.03596	0.3
192.00648	0.3
199.04036	0.5
211.04004	1.1
215.03462	0.3
226.02679	1.3
227.03589	2.5
229.05156	0.6
237.42644	0.3
243.02975	10.3
244.03563	0.5
245.04541	1.1
247.96716	0.3
254.02228	2.5
255.02991	28.1
256.03491	0.5
271.02509	57.8
272.03076	2.3
273.04016	1.2
283.02606	1.1
291.53848	0.3
299.02026	1.4
300.02780	100.0
301.03546	33.2
301.07153	0.4
302.03860	0.3
313.03339	0.3
343.04752	0.5
447.09451	2.4
463.08719	0.3
609.14722	96.4
610.14978	2.8
618.80493	0.3
717.19330	0.3
1087.01550	0.3
1129.59436	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1135.5708
Annotation	Unknow
Peak:m/z	Relative Intensity
85.42526	3.9
85.76065	3.5
89.55400	4.8
101.02460	6.9
125.02444	63.6
137.02469	36.4
146.03760	29.1
149.26576	3.7
151.03993	5.7
153.80486	4.2
159.04556	5.7
164.01157	9.1
165.01909	35.7
167.03546	7.4
168.13338	4.1
169.18723	4.1
172.05243	5.6
173.06024	5.8
174.03242	15.7
175.04199	4.9
177.02007	5.1
179.03606	7.4
181.04837	5.6
187.04039	4.1
192.38727	4.1
212.04831	17.1
229.54944	4.0
255.13962	4.4
255.23393	26.1
271.13403	38.2
273.85690	4.0
285.15070	5.0
289.14426	4.7
291.71982	4.1
294.09048	7.0
297.14990	4.8
299.12930	6.3
313.14496	18.6
317.14050	4.2
325.14572	15.2
337.14395	15.6
353.26398	4.4
363.26007	3.8
377.17401	7.6
419.18692	20.4
463.18109	4.8
652.22821	4.2
852.30212	4.0
967.52618	17.5
979.51080	5.6
991.51605	5.9
997.53033	5.9
1073.56738	7.7
1117.55994	100.0
1135.56982	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1129.434
Annotation	Unknow
Peak:m/z	Relative Intensity
85.02943	1.0
87.00870	18.0
87.07396	0.8
89.02457	2.3
92.65586	1.1
101.02451	1.7
103.00366	4.4
113.02456	1.3
125.02463	6.6
133.02951	2.3
135.52049	0.9
147.01082	0.9
149.00932	42.9
159.04500	3.9
160.05251	3.6
172.05331	11.3
173.06030	5.6
173.20851	1.2
175.07655	1.1
185.06058	1.7
186.06839	1.9
187.04022	4.4
194.02075	1.1
199.04066	1.6
200.04819	1.2
201.05653	5.1
202.06407	7.3
204.04358	1.8
205.93954	1.0
206.38997	1.1
209.11859	8.9
227.03604	2.0
231.65897	0.9
232.03629	1.2
255.13730	1.2
257.15256	1.3
283.13434	100.0
284.13879	1.7
299.16669	1.4
301.14542	22.9
309.15073	8.5
311.12994	9.7
327.16049	22.6
329.13971	3.5
345.17148	5.5
353.14001	2.2
720.33679	1.3
729.17139	1.3
743.31134	3.8
751.88586	1.1
909.41577	1.4
935.42944	2.1
953.44073	34.6
979.41888	1.4
997.43066	87.8
1129.44385	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	113.0608
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02132	3.0
61.98056	3.0
68.99577	100.0
71.31636	3.5
82.11752	3.1
85.70029	3.5
89.95286	3.9
102.05710	4.1
114.87478	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	113.0608
Annotation	2-Hydroxycyclohexan-1-one
Peak:m/z	Relative Intensity
57.03470	2.3
57.72760	1.0
59.21276	1.1
68.99572	100.0
76.97740	1.4
85.02956	5.2
92.10779	5.0
111.48811	1.5
112.98584	2.3
113.02496	1.8
113.06091	28.3
117.79072	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0609
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97617	0.3
56.48244	0.3
57.03453	2.3
59.38518	0.3
59.56525	0.3
59.98183	0.3
61.70640	0.3
68.99575	100.0
69.03456	0.7
84.02192	0.5
85.02955	4.0
112.98591	3.4
113.02467	4.0
113.06091	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	111.0087
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01895	7.1
67.01904	45.4
73.24368	1.6
78.95913	37.8
83.01401	15.8
102.53453	1.5
110.97583	10.2
111.00885	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	1129.3208
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01413	3.5
93.03461	1.0
95.01424	1.0
95.05061	1.2
96.19430	0.7
97.02963	3.2
99.33002	0.6
107.05092	1.0
107.89095	0.7
109.02959	16.0
117.03480	1.0
121.02937	3.7
122.03781	0.8
123.00902	0.8
123.04529	11.7
124.01737	0.8
125.02445	100.0
131.05022	0.7
133.02954	4.1
135.04471	2.6
137.02451	22.2
139.04022	1.5
145.02939	5.9
146.03780	1.4
147.04536	1.0
149.02473	4.2
151.04010	13.5
159.04509	5.6
161.01102	1.1
161.02457	29.2
161.06023	5.0
162.03195	1.3
163.00348	4.2
163.04018	2.9
164.01186	4.1
165.01962	6.1
167.03456	2.8
169.01437	21.0
173.06056	0.7
174.03185	1.2
175.04022	11.9
177.01945	14.2
177.05612	0.9
179.03534	5.2
183.04536	1.1
185.06117	3.5
187.04018	7.1
188.04770	2.7
189.02061	0.9
191.03574	0.9
193.01407	5.0
197.06166	0.8
199.03975	3.4
201.01945	1.0
201.05586	4.5
202.06357	1.1
203.01070	0.7
203.03433	1.5
203.07121	10.1
205.01439	3.1
205.05067	6.5
209.06145	1.4
211.04019	1.3
213.05600	2.9
215.03644	1.0
217.05084	4.8
219.03056	1.3
221.08182	1.0
225.05641	2.7
227.03508	2.9
227.07227	3.6
229.05074	4.2
231.03079	1.5
231.33449	0.7
233.37239	0.7
237.05539	1.7
242.02377	1.0
243.03017	12.1
243.06686	1.4
245.04613	7.2
245.08226	16.7
253.05132	3.6
255.03033	16.3
256.03793	8.7
257.04681	3.4
269.04694	4.6
271.06119	9.3
273.03961	1.3
281.04657	6.0
283.02615	3.4
285.04059	8.1
287.05862	4.9
289.07233	58.8
290.07458	1.6
297.04044	3.4
299.05667	1.5
303.05121	1.4
319.29807	0.8
321.07831	1.5
328.03940	0.8
339.08835	3.5
363.71426	0.7
381.09885	1.2
389.06674	5.2
407.07791	79.2
409.09311	0.7
425.08896	5.3
433.09518	1.3
441.08401	19.5
447.80963	0.7
451.10379	8.4
496.52023	0.9
523.69116	0.9
541.11432	0.8
559.08435	11.5
575.12134	0.7
577.11664	13.7
603.11621	9.0
603.20599	1.1
711.13794	1.3
729.14740	66.9
730.15045	3.2
1057.05737	0.8
1146.66516	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1105.4709
Annotation	Unknow
Peak:m/z	Relative Intensity
80.15500	1.0
87.00877	18.7
89.02425	2.2
92.80329	1.1
97.02943	1.2
101.02447	2.9
101.74053	1.2
113.02480	1.2
114.39396	1.1
121.02943	2.6
122.03774	2.5
125.02438	5.6
130.99855	4.8
146.03761	9.0
147.04550	6.2
149.02463	2.5
159.04480	4.4
161.06129	2.2
172.05333	6.2
173.06131	1.7
174.03214	2.6
174.06747	1.9
175.03992	8.0
187.04091	1.4
188.04774	6.5
189.05537	5.5
190.06395	19.3
200.04831	8.1
201.05511	2.5
209.11871	17.4
211.13432	4.9
215.06935	1.5
216.07912	1.9
221.06720	1.5
245.11850	1.3
259.13394	2.6
264.02911	1.2
271.13370	13.9
283.13596	1.7
285.14804	1.5
287.16501	1.5
289.14575	4.8
297.15009	10.0
299.12933	5.6
301.14444	1.4
311.12827	1.4
313.14560	2.4
315.16080	53.9
317.14063	2.3
323.16614	2.9
325.14423	15.7
331.15674	1.6
333.17221	19.3
341.17694	7.3
343.15543	11.8
357.17239	6.0
367.15375	1.7
1073.44165	7.7
1084.70007	1.5
1087.44312	4.8
1105.47131	100.0
1106.46790	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	2-Furoate
Peak:m/z	Relative Intensity
55.01886	6.8
61.07626	1.7
67.01901	57.1
83.01403	11.8
92.80598	1.8
111.00880	100.0
112.01286	2.3
118.46309	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	1073.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
83.05085	1.3
85.02966	1.3
86.43782	1.0
87.00876	15.9
89.02480	1.4
93.03447	1.3
101.02445	1.8
109.03022	1.5
109.51027	1.1
113.02485	1.5
119.03516	1.6
119.05090	1.6
122.03712	1.7
123.04533	2.0
125.02464	7.6
130.99850	2.7
137.02426	1.6
146.03770	7.5
147.04547	6.9
151.04057	1.2
159.04561	1.9
161.02448	2.0
161.06134	2.2
163.04089	1.2
164.04768	2.1
165.12749	1.3
172.05298	5.6
173.05998	1.5
174.03226	1.6
175.04016	10.8
185.06114	1.8
187.04019	1.9
187.88370	1.2
188.04822	6.3
189.05592	7.0
190.06358	19.1
200.04820	10.3
201.05576	1.6
209.11829	18.6
211.13409	7.0
220.64894	1.3
221.06645	1.9
245.60086	1.3
271.13480	12.0
285.14960	2.0
287.16690	1.8
289.14536	5.9
295.26636	1.5
297.15018	12.7
299.12900	4.4
311.12988	1.6
313.14420	4.9
315.16071	56.1
317.14032	2.3
323.16440	2.1
325.14526	18.8
333.17145	14.2
341.13861	1.4
341.17789	5.6
343.15536	8.4
351.12476	1.5
357.17169	4.9
367.15543	1.6
503.80826	1.2
1037.42407	1.9
1055.45105	2.1
1073.44568	100.0
1074.45044	2.7
1105.07983	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	1071.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01380	0.4
89.70339	0.2
91.11502	0.2
95.20374	0.2
99.90826	0.2
107.01429	0.5
108.02219	0.3
109.02958	0.3
110.35986	0.3
125.02483	1.8
137.02519	0.3
145.02965	0.4
151.00403	4.3
151.04066	0.3
155.05002	0.3
161.02345	0.3
163.00369	1.0
169.01454	0.6
171.04512	0.4
175.04065	0.3
178.99838	0.3
183.04535	1.4
187.04010	0.5
187.63687	0.2
199.04034	3.6
200.04726	0.3
203.03568	0.5
211.04018	0.5
215.03630	2.0
219.70345	0.2
226.02847	0.4
227.03548	14.8
228.04124	0.4
242.02242	2.2
243.03012	23.5
244.03732	1.7
254.02255	1.5
255.03029	26.5
256.03754	1.6
257.04565	4.0
259.06137	1.1
270.01770	3.6
271.02530	43.1
272.03214	4.2
284.03323	12.4
285.04095	10.1
285.07324	0.3
286.04892	1.4
287.05582	1.8
299.02014	40.7
300.02802	36.3
300.06424	0.4
313.03589	0.4
314.04391	40.6
315.05170	80.0
316.05457	1.4
357.06290	0.5
447.03180	0.3
447.09451	10.2
623.16309	100.0
624.16571	2.0
876.87866	0.3
910.60144	0.3
968.13232	0.3
1024.87244	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1043.2683
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01409	0.8
88.48132	0.1
91.01915	0.1
93.03445	1.8
103.56706	0.1
107.01394	3.1
108.02198	0.2
109.02980	0.8
117.03513	0.2
119.01410	0.2
123.00851	0.2
123.04517	0.2
124.01646	0.2
125.02438	1.7
130.04247	0.2
131.05074	0.2
132.02177	0.5
135.00894	1.6
137.02480	0.2
141.07159	0.1
141.46330	0.1
143.05019	1.1
145.02950	0.2
149.02473	0.2
150.03223	0.7
150.99168	0.2
151.00381	6.3
151.04021	0.9
152.01178	1.0
153.01987	0.9
155.05069	0.2
157.06599	0.6
159.04558	1.3
161.02469	0.3
163.00371	2.9
164.01126	0.3
165.01866	0.5
167.05046	0.5
169.01450	0.7
169.06601	0.9
171.04573	0.6
173.02362	0.2
173.06052	0.2
175.03995	0.3
177.01855	0.2
178.99886	1.2
183.04498	0.8
185.06061	2.5
187.04033	3.1
189.05624	1.2
195.04594	0.8
196.05278	0.3
197.06125	1.5
199.04007	1.5
200.04823	0.2
201.05614	0.8
211.04039	2.6
212.04753	0.6
213.05589	2.8
215.03520	0.5
217.05125	0.2
226.02809	0.2
227.03535	34.0
228.04124	0.5
229.05080	15.3
230.05400	0.2
239.03508	2.0
240.04347	1.2
241.05051	1.9
243.02985	0.6
255.03020	62.0
256.03729	5.0
257.04587	8.8
267.02939	1.7
269.04666	0.2
283.02527	0.5
284.03308	79.2
285.04080	93.5
286.04440	1.6
299.05499	0.3
303.05075	0.5
327.05307	1.4
447.09097	0.2
449.11050	1.3
528.80688	0.1
544.89764	0.2
593.15265	100.0
594.15649	3.2
833.33722	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1035.2416
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03466	1.3
83.01386	1.9
93.03477	1.0
95.01393	0.5
95.05030	1.1
97.02930	2.8
107.01379	2.0
108.02148	0.3
109.02958	10.0
109.03679	0.4
111.00875	1.0
113.54119	0.3
115.74164	0.3
121.02969	1.5
122.03713	0.4
123.00878	1.9
123.04523	5.0
124.01590	0.9
125.02441	77.8
126.02788	0.4
133.03006	0.3
135.00888	0.3
135.04509	0.9
136.98785	0.5
137.02441	7.2
139.00385	1.1
139.04039	1.4
140.01160	1.1
141.01952	0.3
143.05077	0.3
145.02954	3.0
146.03772	0.5
149.02419	2.6
149.03453	0.3
150.03224	0.3
151.00378	1.9
151.04010	6.9
154.04137	0.3
159.04541	2.1
160.05299	0.4
161.02463	1.0
161.06096	3.2
162.03186	0.4
163.00362	1.1
163.03935	0.4
164.01144	1.6
165.01944	2.6
166.02684	0.3
166.99899	1.2
167.03471	1.0
167.35077	0.3
168.00650	2.0
169.01430	100.0
170.01782	0.3
174.03214	0.3
175.03976	1.3
175.07626	0.4
177.01901	0.3
177.05612	0.3
178.99953	0.3
179.03468	3.2
183.04462	0.3
185.06107	1.5
187.03975	2.6
188.04793	2.1
190.21039	0.2
192.55804	0.2
193.01430	5.3
197.06131	0.3
197.45563	0.2
199.03896	0.3
200.04787	0.3
201.05640	0.9
202.06404	1.2
203.07155	6.5
205.01447	1.2
205.05095	4.1
209.06137	0.3
211.03996	1.3
212.04887	0.3
221.08189	1.3
227.03537	17.2
227.07172	1.5
228.04102	0.4
229.05080	3.6
239.03566	1.1
241.04973	0.5
245.04411	0.4
245.08223	9.7
246.08734	0.3
247.06206	0.4
253.05153	1.7
255.03027	34.4
256.03793	2.9
257.04486	2.1
259.05991	0.9
271.06134	4.2
275.05765	0.3
283.02399	0.4
284.03305	59.7
285.04074	24.4
285.07364	0.4
286.04382	0.4
289.07217	37.3
301.03494	0.3
303.05164	1.6
327.05203	1.1
331.04669	1.5
441.08337	49.3
442.09030	0.6
451.08002	0.3
593.15253	68.1
594.15729	1.3
715.74774	0.3
975.17450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1027.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01386	16.3
85.02970	3.7
87.00893	3.4
89.02440	17.0
89.02839	1.1
89.24897	1.5
95.01414	1.7
99.92648	2.0
101.02446	19.8
105.88649	1.7
111.08168	12.1
113.02502	8.2
116.92850	3.2
117.79924	1.5
119.03508	3.0
125.02471	9.4
140.32117	1.5
153.15700	1.6
161.04494	1.7
162.41406	1.5
169.12379	7.3
179.05586	5.9
182.05669	2.0
183.13959	1.7
197.11848	77.0
199.13411	3.0
211.13533	11.0
213.34769	1.6
221.06760	1.9
224.07605	1.6
235.08357	3.7
258.89767	1.6
263.20197	6.0
277.21796	46.7
287.07498	3.0
291.19778	20.5
309.20773	100.0
321.99368	1.7
379.12567	3.5
397.13571	49.6
415.14706	23.1
425.57739	1.6
454.54059	1.9
512.14392	1.7
675.35461	1.9
689.33710	3.2
707.35535	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	1027.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01399	12.3
75.40043	1.9
85.90715	1.9
87.00869	3.8
89.02466	11.7
95.01407	1.9
96.99351	3.0
97.02943	2.5
101.02458	11.9
113.02452	4.0
125.02457	9.5
141.01704	41.0
143.03464	2.5
153.01866	2.4
161.04530	1.8
163.11263	2.9
209.11871	100.0
218.70615	2.4
221.11699	2.4
227.12871	4.2
231.10097	17.9
235.08324	4.4
243.04883	3.7
249.11244	13.9
277.21765	44.2
327.73169	2.2
328.40100	2.2
359.22058	3.4
379.12503	14.6
397.13525	41.8
419.11539	3.7
437.12793	11.7
509.32617	11.0
589.25067	4.6
607.26501	7.6
629.23926	4.7
657.34979	2.5
675.36188	3.5
697.34113	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	1027.5862
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01388	15.4
77.74994	1.6
85.02964	3.4
89.02441	13.6
92.10123	6.1
99.00858	1.7
101.02441	10.6
111.08125	1.8
113.02481	7.3
119.03485	1.8
125.02435	3.2
136.27928	1.5
160.81902	1.5
163.11258	3.4
165.12863	6.9
179.05573	2.1
197.11844	4.1
199.61653	2.0
205.51988	1.8
223.13470	1.9
235.08205	3.1
235.17531	1.7
247.20705	8.8
273.18591	2.3
277.21768	50.3
291.19705	94.8
309.20761	100.0
379.12622	1.8
397.13568	27.6
415.14575	12.4
507.87399	1.7
689.34027	2.8
832.03046	1.9
953.24902	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	1021.5397
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	10.9
74.94795	2.5
80.06463	2.5
89.02449	5.7
92.10780	10.5
101.02435	7.5
112.97112	2.8
113.02456	4.4
116.92861	6.9
146.03697	3.1
159.04530	5.1
160.05238	3.7
173.06076	7.4
187.04030	5.6
201.05563	6.8
202.06355	47.9
211.13457	5.1
277.21722	15.7
283.13452	36.1
309.15027	6.8
327.16232	31.7
345.17145	11.4
507.22412	14.7
627.48035	3.3
761.32776	13.4
991.80884	3.6
1021.54132	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	1023.6427
Annotation	Unknow
Peak:m/z	Relative Intensity
75.81107	0.9
79.20760	1.0
83.05034	1.6
89.02466	1.2
91.75426	1.0
101.02448	5.9
113.02416	1.5
117.38622	1.3
120.51058	1.1
126.78715	1.0
165.12900	1.5
171.37001	1.1
192.26115	1.1
209.11865	57.1
227.12993	7.8
235.08231	6.3
248.54457	1.0
253.09238	5.7
277.21753	93.3
291.19656	10.2
299.20200	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	1025.5698
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01389	23.7
85.02939	5.2
89.02447	23.4
101.02467	24.3
113.02468	7.6
118.02235	5.4
125.02412	6.1
127.86732	4.6
163.11334	6.7
185.11928	7.1
191.14436	8.5
209.11890	9.4
225.11377	5.3
245.19096	22.6
263.23257	5.4
276.23416	5.5
277.21735	91.4
289.18170	100.0
299.41174	5.3
307.19220	92.7
323.26440	5.4
397.13525	42.8
415.14822	19.6
500.39563	5.8
642.43109	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	1017.5653
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01384	18.0
73.02941	2.0
81.03448	2.1
83.01424	2.8
85.02955	9.4
87.00906	3.1
89.02431	22.4
92.10110	4.1
97.02929	2.7
101.02431	13.8
111.08173	7.7
113.02446	8.0
116.92853	15.0
119.03498	3.5
125.02462	9.1
127.11292	2.3
137.09744	3.3
140.81149	2.0
171.10318	18.8
183.13890	3.2
195.13947	4.9
209.11832	27.7
211.13425	21.5
213.25478	2.4
219.09885	2.1
229.14413	13.1
235.08217	3.3
247.20647	2.6
261.04868	2.2
291.19724	50.7
293.21252	23.6
309.20801	8.5
327.21844	100.0
328.07977	2.6
397.13553	34.9
415.14371	12.6
418.19833	2.6
584.41058	2.1
648.77679	2.4
874.88098	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	1017.2099
Annotation	Unknow
Peak:m/z	Relative Intensity
83.01389	3.6
93.03468	2.0
95.05045	0.9
97.02947	1.9
106.05170	0.5
107.05031	0.7
109.02956	11.2
117.03468	1.2
119.04970	0.6
121.02949	2.5
123.00884	0.5
123.04520	7.9
124.01723	0.5
125.02441	100.0
126.02744	0.9
131.05019	1.1
133.02950	6.7
135.04517	4.0
137.02435	12.6
139.04027	1.0
145.02931	2.8
146.03720	0.7
147.04587	0.6
148.01711	0.7
149.02484	5.1
150.03200	1.0
151.04022	11.0
155.05060	0.7
159.04512	5.5
160.01678	0.6
161.02448	32.8
161.06026	3.5
162.03207	1.1
163.00383	4.5
163.04019	5.2
164.01173	6.5
165.01947	6.9
167.03383	2.2
169.01424	9.9
171.12453	0.6
173.02425	0.7
173.06142	1.0
174.03227	1.1
175.04005	16.8
177.01955	14.8
177.05513	2.0
179.03505	2.9
179.27019	0.5
183.04550	1.1
185.02394	0.7
185.06107	1.1
187.03926	4.0
188.04823	1.3
189.01956	2.5
189.05528	0.8
190.02727	0.7
191.03563	1.0
193.01405	2.9
199.04074	6.0
199.07629	0.6
201.01923	2.7
201.05550	5.2
203.03546	4.1
203.07132	4.2
205.01393	1.2
205.05070	3.5
209.06020	0.7
211.03993	1.1
212.04834	0.7
213.05498	2.5
214.02753	0.6
215.03511	1.1
217.05031	7.6
217.08389	0.5
219.03023	4.0
219.06728	0.7
225.05554	2.1
227.03546	3.9
227.07132	2.1
228.04259	2.0
229.04973	4.9
231.02989	2.8
237.05632	0.9
241.05106	2.2
243.03003	24.8
243.06654	1.6
245.04558	10.5
245.08186	8.3
247.06136	0.6
251.03638	0.9
253.05069	2.5
255.03012	13.1
256.03757	3.2
257.04614	2.6
261.04092	2.9
269.04578	6.5
271.02426	0.9
271.06244	5.4
273.04105	0.7
279.06894	0.7
281.04584	3.9
282.01569	1.3
283.02457	2.3
283.06000	1.0
285.04221	4.8
287.05621	11.2
289.07211	23.5
294.97049	0.6
297.04056	2.1
297.07489	0.6
300.02753	3.7
301.03558	1.2
303.05142	1.1
309.07605	0.7
321.07516	0.9
323.05612	0.9
339.08878	2.3
341.06808	1.1
357.09100	0.6
359.05554	0.6
365.06882	0.6
383.07681	0.7
389.06766	3.5
395.07819	0.7
405.06296	2.2
407.07803	34.0
407.13184	1.2
413.08868	2.7
423.07239	1.3
425.08606	0.8
433.09299	1.2
441.08377	5.0
449.08987	4.1
451.10358	5.7
463.08820	4.4
525.08472	3.1
541.11871	0.8
543.09235	0.6
559.09595	3.8
569.11230	2.9
575.12213	5.3
577.12030	3.2
603.11523	3.4
677.10809	0.8
695.13837	2.5
713.13806	0.7
729.14777	12.1
771.15576	0.7
847.15399	4.4
865.19714	0.6
876.34216	0.6
891.17902	0.9
991.72119	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1011.5908
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01379	12.2
73.02962	1.4
83.01388	1.7
85.02975	4.4
85.69767	0.9
87.00886	2.1
89.02446	11.5
95.01427	1.3
97.02953	1.7
98.57947	1.0
101.02441	11.4
113.02463	7.2
117.42712	1.0
119.03475	1.9
125.02470	4.2
126.29469	1.0
161.04512	1.8
179.05611	2.2
195.13902	10.6
223.13390	6.1
235.08189	4.1
256.12991	1.3
275.20172	8.8
277.21744	43.8
293.21265	100.0
379.12479	4.7
397.13547	30.0
415.14590	8.3
691.35455	2.6
1025.37732	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	1017.2104
Annotation	Unknow
Peak:m/z	Relative Intensity
75.35217	0.5
83.01399	2.7
93.03452	0.9
93.36441	0.4
95.01413	0.5
95.05009	0.5
97.02972	1.7
106.04266	0.5
107.05041	0.8
109.02959	10.2
117.03476	1.0
121.02953	1.9
123.00895	0.6
123.04538	6.0
124.01657	0.7
125.02448	100.0
126.02831	0.6
130.04237	0.5
131.05025	1.0
133.02977	4.8
135.04549	4.1
137.02449	13.7
139.04010	0.8
145.02942	2.3
147.04497	2.1
149.02441	3.7
150.03197	0.8
151.00363	0.4
151.04022	10.5
157.03053	0.5
157.06599	0.4
159.04559	4.2
161.02458	29.8
161.06102	2.9
162.03156	2.0
163.00345	4.5
163.04013	3.8
164.01167	6.3
165.01918	5.9
167.03473	3.0
169.01440	8.5
173.06081	1.7
174.03235	1.6
175.04021	16.4
176.01152	0.9
177.01939	14.3
177.05510	1.7
179.03505	2.9
183.04497	1.7
185.02405	0.6
185.06084	1.8
187.04002	5.0
188.04823	1.7
189.01936	2.0
189.05539	0.6
191.03514	1.8
193.01476	1.0
193.05086	0.9
197.06100	0.8
199.04033	6.0
201.01912	2.2
201.05687	3.8
202.06372	0.4
203.03528	2.7
203.07169	4.2
204.04146	0.5
205.01468	1.8
205.05055	4.5
206.42018	0.5
209.06081	0.7
211.03983	1.0
213.02010	0.5
213.05585	2.2
215.03511	1.0
217.05107	7.2
219.03012	3.6
225.05630	2.3
227.03615	3.3
227.07143	1.1
228.04254	0.6
229.05052	3.2
231.03036	2.3
237.05544	0.7
241.05104	0.8
243.02998	24.6
243.06679	2.0
245.04570	11.8
245.08180	7.9
247.05920	0.5
253.05125	2.8
255.03038	12.2
256.03870	3.5
257.04568	2.9
259.06021	1.5
261.04037	3.5
267.03027	0.9
269.04565	9.4
271.02600	0.6
271.06125	3.4
273.04065	2.0
281.04620	3.1
282.01758	2.0
283.02481	1.0
283.06082	0.5
284.02979	0.5
285.04184	4.7
287.05643	12.0
289.07205	22.0
295.02542	1.6
295.05859	0.6
297.04068	1.8
299.05612	1.7
300.02802	1.8
309.04437	0.5
309.07910	0.7
321.07700	0.6
329.06906	0.6
337.07306	0.7
339.08737	2.2
341.06888	2.0
347.05835	0.7
363.08963	0.5
371.05518	0.5
373.03433	0.5
374.04166	0.6
387.05231	0.9
389.06827	2.5
395.07938	4.2
405.06293	2.2
407.07745	26.7
413.09000	3.4
423.07300	2.6
425.08908	1.7
433.09509	1.0
441.08694	4.2
449.08804	4.5
451.10403	4.2
525.08313	3.2
543.09937	0.6
557.11066	1.0
559.09778	3.0
569.10925	1.7
575.12091	4.3
577.12219	2.6
603.11517	4.0
677.12280	1.1
695.13342	2.9
729.14868	11.5
739.14929	2.2
746.80719	0.5
771.16687	1.0
847.16028	4.8
865.18933	2.3
891.17401	1.7
1017.20947	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0244
Annotation	Succinic acid semialdehyde
Peak:m/z	Relative Intensity
50.63559	0.4
52.64096	0.3
55.01906	2.1
57.03464	100.0
58.03799	0.5
69.33605	0.4
70.11868	0.5
71.15739	0.4
73.02955	6.3
76.72979	0.5
78.53185	0.5
83.01395	2.1
99.00865	1.0
100.94621	2.2
100.95997	0.6
101.02444	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	101.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64677	0.4
54.45588	0.4
55.01895	1.3
57.03461	100.0
58.38956	0.5
73.02950	4.8
83.01398	1.4
83.01897	0.6
97.29543	0.5
100.94631	1.1
101.02448	47.1
103.34989	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1009.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29842	1.0
71.01400	1.8
71.17892	1.1
83.05057	1.4
85.85984	1.1
87.00875	20.0
87.01347	1.2
89.02453	1.1
91.57976	1.3
98.82684	1.2
101.02460	2.2
121.02956	1.1
122.03719	1.9
125.02467	2.1
130.99867	5.2
135.04556	1.6
137.02405	1.4
146.03763	6.3
147.04527	8.5
149.06102	1.5
159.04530	2.6
160.05295	2.3
163.03957	1.5
172.05368	2.5
173.06119	2.3
174.03290	1.8
175.03986	8.7
185.06201	2.2
187.04065	2.3
188.04884	5.4
189.05649	6.6
190.06372	19.5
197.11858	1.3
200.03189	1.4
200.04807	12.1
209.11882	12.5
211.13426	6.7
216.08124	1.3
253.09151	1.6
271.13440	14.9
283.13541	1.9
287.16608	1.7
289.14789	3.5
297.15088	10.3
299.12918	5.6
307.19495	1.3
313.14651	5.0
315.16098	53.0
317.14145	1.3
323.16708	2.2
325.14404	15.0
331.15735	2.2
333.17194	11.5
339.15918	1.4
341.17691	3.8
343.15387	7.8
357.17203	7.2
368.49673	1.4
446.38940	1.3
511.36987	1.4
613.33575	1.2
931.43170	1.7
963.17163	1.5
991.45789	2.1
1009.46747	100.0
1010.46991	2.6
1029.93201	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	1005.6007
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01392	24.0
86.91618	3.4
87.00883	5.7
88.48523	4.2
89.02435	29.7
93.15466	4.0
101.02470	21.0
101.34151	4.9
106.63187	4.2
113.02496	16.3
123.10932	4.0
140.15919	4.0
163.11333	4.5
165.12852	4.1
179.05655	4.7
235.08350	4.7
247.20476	6.1
255.23335	76.5
291.19720	99.4
295.17206	4.0
309.20776	100.0
397.13406	43.0
415.14697	8.5
477.41592	4.9
653.37549	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	1003.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
87.00902	4.9
89.02457	3.5
96.95988	4.1
101.02417	5.0
116.92787	6.4
293.18280	7.3
293.21280	100.0
397.13419	8.6
415.14740	15.7
415.51227	4.2
673.34113	6.0
691.35645	15.0
939.58527	4.7
1003.54382	61.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	negative
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1005.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01414	8.1
77.77261	3.0
83.05054	4.1
83.14870	3.4
89.02466	6.8
92.25051	3.4
94.00447	2.9
96.99319	16.3
101.02470	17.3
113.02499	5.1
116.92863	4.7
119.03513	5.4
119.53703	3.2
125.02520	3.9
141.01721	57.4
199.78084	3.3
209.11880	100.0
227.13028	4.8
231.09955	20.4
235.08278	3.9
237.44923	3.6
243.04854	3.9
249.11118	14.5
253.09511	3.6
255.23380	58.4
379.12546	16.6
397.13611	39.5
419.11819	5.6
487.34280	15.6
538.99609	4.2
589.24323	4.3
629.24445	5.0
635.36609	6.2
653.37830	5.3
675.36017	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	997.6058
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03436	1.2
73.02896	1.9
74.12160	1.0
78.28134	1.0
81.07067	1.0
85.02914	2.6
91.03953	1.0
91.05836	1.2
95.08611	1.0
97.02892	6.0
101.02374	1.9
137.46115	1.1
243.08524	1.9
247.66740	1.1
319.75916	1.2
328.78665	1.0
334.36603	1.2
347.09601	1.5
405.13763	5.3
422.69662	1.1
444.43661	1.1
525.33997	5.1
551.28412	4.1
660.88354	1.4
687.39575	5.5
713.33655	6.4
748.13416	1.3
751.21259	1.7
891.18121	1.5
996.59143	1.4
997.60498	100.0
998.60858	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	996.646
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	5.7
69.07047	17.5
71.04970	6.9
71.08617	27.0
73.02920	1.7
74.51961	1.3
76.64149	1.2
79.05484	28.0
81.03399	10.7
81.07038	58.3
83.04973	6.5
83.08602	25.5
85.02898	10.3
85.06546	2.5
85.10170	15.6
91.03933	5.1
91.05455	23.2
93.07021	26.3
95.04932	8.8
95.08585	38.4
97.02869	5.6
97.06501	9.8
97.10165	9.4
103.07571	1.5
103.43554	1.2
105.07019	15.9
107.04929	6.8
107.08584	22.5
109.02865	2.2
109.06488	5.3
109.10139	29.7
111.08044	6.4
117.07017	11.1
119.08566	11.9
121.06486	2.8
121.10143	8.4
123.08060	1.8
123.11682	6.2
125.09615	2.6
127.03907	2.3
128.06145	1.8
129.06953	2.9
131.08553	12.9
133.10121	13.4
135.11644	4.8
137.09637	1.4
137.13289	2.0
140.28992	1.3
141.06940	1.3
145.06519	1.5
145.10110	10.4
147.11693	4.8
149.09578	8.2
149.13242	6.7
159.11644	7.3
161.09564	1.3
161.13232	1.5
163.11118	5.8
169.94315	1.2
173.11696	5.8
173.13103	1.8
177.12715	3.0
181.50319	1.5
189.11284	1.5
195.13705	1.8
213.14729	1.4
219.13678	1.3
227.12750	6.0
229.14282	15.2
229.19421	1.5
234.92195	1.2
239.23666	7.5
247.20827	1.3
257.19049	4.7
257.24731	1.7
263.64914	1.2
267.15921	5.7
269.17365	5.6
272.27924	1.2
275.19940	12.6
307.22571	1.3
313.27301	69.0
331.22821	1.6
339.17944	1.8
349.23740	10.8
381.26053	1.7
413.21518	10.5
467.37231	15.8
505.38950	4.2
507.40378	100.0
508.40594	2.5
587.46631	34.1
588.47168	1.7
605.47095	5.0
618.48352	1.6
619.49103	12.5
651.44537	12.0
726.67072	1.5
901.21545	1.5
972.06256	1.6
1008.38348	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6091
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07038	10.0
71.08624	25.4
72.06929	2.5
74.59241	1.9
76.01440	2.1
78.71558	2.0
79.05471	19.2
81.03381	11.0
81.07037	30.8
83.04974	3.6
83.06524	2.2
83.08598	18.0
85.02890	21.0
85.10168	14.9
91.03934	5.2
91.05453	12.0
92.09339	5.1
93.07012	10.7
95.08591	34.3
97.02872	12.6
97.10136	13.0
105.07000	2.5
105.19955	2.3
107.08565	5.8
107.16698	2.5
109.10149	64.3
118.32731	2.4
119.08574	5.3
123.11691	10.8
125.09576	10.5
141.24608	2.6
145.10153	2.7
163.11154	5.1
173.11714	14.0
199.13240	3.3
209.11766	4.1
227.12758	4.9
229.14304	38.8
239.23747	2.7
301.16479	23.1
313.27319	100.0
399.23514	11.9
400.97409	2.3
445.03513	2.8
455.37149	12.0
467.37219	39.8
539.38989	14.9
637.46619	57.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	996.6457
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	4.0
69.06702	1.1
69.07052	15.9
69.36303	0.7
70.89511	0.6
71.04982	7.2
71.08245	1.1
71.08621	26.2
73.02901	1.5
76.10894	0.7
79.05475	24.1
81.03404	7.5
81.07039	50.5
83.04976	5.1
83.08599	19.3
85.02892	8.9
85.06566	2.7
85.10173	15.1
88.57423	0.9
91.03928	4.2
91.05466	20.9
92.08748	3.2
93.07027	24.1
93.07625	0.8
95.04957	6.0
95.08002	1.5
95.08587	32.7
97.02855	6.5
97.06507	7.9
97.10148	11.5
99.04448	0.8
99.08083	1.1
100.85638	0.8
105.04408	0.7
105.07006	13.4
107.04924	4.6
107.08585	21.7
109.06499	4.5
109.10139	34.0
111.04394	1.5
111.08061	4.6
111.11680	1.0
117.06998	10.4
119.08540	11.6
121.06465	1.5
121.10133	9.3
123.08077	0.9
123.11651	7.9
125.09619	4.3
126.64739	0.7
127.03891	3.4
129.05418	1.3
129.06947	1.6
131.04936	1.0
131.08516	9.7
133.10094	11.9
135.08005	5.1
135.11656	7.7
137.09624	1.5
137.13237	1.2
141.07008	1.0
143.08546	3.2
145.06537	1.1
145.10126	8.6
147.07973	1.2
147.11653	5.9
148.91006	0.8
149.09624	5.8
149.13246	10.9
151.11157	0.8
155.08534	1.7
157.10075	3.4
159.11684	8.2
161.13141	1.1
163.11134	4.4
169.10103	1.2
171.11659	1.2
173.11702	4.4
173.13213	2.8
175.11174	1.1
176.88391	0.8
177.12766	3.3
179.14322	1.2
185.13322	0.9
189.11198	1.5
195.13808	2.8
201.12860	0.7
219.13791	0.9
227.12715	4.9
229.14296	17.6
239.18004	1.0
239.23604	3.3
249.14859	0.8
257.18918	3.9
257.24768	1.5
261.14893	0.8
269.17422	3.5
275.19992	12.4
293.17523	1.5
293.20828	0.8
313.27313	63.3
331.22385	1.3
339.17911	3.7
349.23740	15.5
381.26416	2.8
395.20557	1.3
409.32770	0.8
413.21649	12.7
467.37228	20.7
507.40390	100.0
508.40329	0.9
587.46619	32.0
588.46698	1.1
605.47241	4.3
615.42072	1.1
619.49268	13.2
637.46472	1.0
651.44574	13.9
669.45343	0.9
742.72766	0.8
813.72894	0.9
877.93671	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	992.6504
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07050	12.9
69.18256	1.9
71.08624	14.3
78.93083	2.1
79.05472	21.4
81.03400	2.3
81.07040	27.8
83.04976	4.3
83.08618	13.6
84.02998	1.6
85.02877	7.3
85.10163	7.2
91.05457	19.6
92.08646	1.8
93.07045	15.7
95.04948	37.4
95.08581	26.1
97.02808	2.1
97.10145	12.0
99.04475	2.3
105.07001	17.2
107.04948	4.0
107.08584	18.5
109.06499	3.0
109.10139	11.6
111.04429	9.3
111.08070	2.1
117.07005	7.7
119.08568	16.1
121.06459	2.4
121.10142	10.6
123.08001	2.2
123.11683	3.3
131.08562	3.9
133.10121	11.5
135.08047	3.3
135.11670	4.7
145.10074	16.1
147.11606	2.6
149.09615	16.8
159.11710	4.3
162.70427	2.0
163.11157	15.7
163.74216	2.0
205.12193	2.3
223.13315	22.2
239.17877	2.5
244.69493	2.0
257.19025	3.1
275.19989	28.6
293.21085	14.6
314.30118	1.9
341.30426	56.8
349.23758	14.2
367.24768	37.0
511.05142	1.9
521.10498	2.0
535.42584	2.0
615.49579	20.3
633.50757	100.0
651.51514	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	992.6506
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	8.2
69.07056	23.4
71.04988	2.7
71.08615	23.0
73.02919	2.5
79.05476	35.8
81.03403	8.2
81.07040	69.3
83.04958	8.4
83.08596	14.0
85.02880	8.9
85.06521	3.2
85.10175	17.8
91.03935	4.0
91.05462	29.9
93.07034	40.2
95.04946	10.0
95.08579	44.7
97.02854	8.3
97.06501	9.6
97.10165	11.3
99.04478	2.4
103.30086	2.0
105.07027	23.3
107.04946	2.8
107.08567	26.1
109.06499	7.6
109.10149	15.9
111.08089	2.6
117.07016	8.5
119.08562	14.9
121.10145	12.2
123.08070	2.6
123.11737	3.3
125.09622	2.0
127.03899	2.5
129.06966	2.8
131.08553	12.1
133.10112	15.0
135.08028	3.3
135.11659	9.8
143.08563	3.0
145.06453	1.7
145.10120	9.7
147.11693	6.9
149.09602	8.5
149.13255	11.0
153.09163	1.8
155.08563	2.5
159.11661	12.0
163.11095	2.0
163.13385	1.7
169.09935	1.8
177.12665	2.1
195.13828	3.4
212.37537	1.7
232.12254	1.7
236.57529	1.8
239.02251	2.2
248.76677	2.1
255.15962	12.5
257.18945	2.2
269.17465	30.3
275.20081	14.4
291.19431	3.8
307.34067	2.2
341.30457	77.0
349.23785	14.7
362.65594	1.8
367.24466	2.6
450.30557	1.9
460.61975	1.9
474.02536	2.0
521.41718	15.4
535.43481	100.0
575.46161	2.8
615.49493	25.8
621.30542	1.8
632.49524	3.8
633.50366	18.0
961.05383	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	991.5593
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	1.4
73.02906	3.9
75.88976	0.5
79.05486	2.6
81.03389	1.1
81.07051	3.0
85.02911	5.2
89.69061	0.6
90.19664	0.6
91.03945	2.2
91.05477	2.5
92.08598	1.2
93.07043	1.0
95.08603	2.3
97.02872	5.4
99.04420	0.7
101.02360	0.6
105.07021	1.0
107.08591	1.0
110.80351	0.6
119.08575	1.0
121.10086	0.9
127.03931	1.1
130.08710	0.5
130.98772	0.6
135.11639	0.5
137.31781	0.7
141.07095	0.5
177.94269	0.6
198.05505	0.6
203.05368	0.7
243.08513	2.2
257.64575	0.6
332.75043	0.6
333.20410	2.6
347.09534	2.1
365.10815	1.0
405.13776	6.4
428.35324	0.6
439.18893	0.7
519.29260	6.3
551.28271	3.1
584.21136	0.7
681.34363	6.2
713.33777	3.8
990.59192	0.9
991.55780	100.0
992.56213	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	991.559
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03423	2.3
69.07039	0.5
73.02911	3.5
78.84079	0.5
79.05054	0.6
79.05463	4.4
81.03391	0.8
81.07053	3.8
85.02885	5.3
91.03953	2.1
91.05492	2.4
93.07036	3.5
95.04923	0.7
95.08591	2.4
95.53401	0.7
97.02890	4.1
99.04502	0.9
101.02358	1.0
104.78734	0.6
105.07043	1.4
107.08602	2.7
109.02948	0.7
119.08573	2.6
127.03919	0.9
131.08542	1.0
133.10150	2.6
145.10110	0.7
159.11728	0.9
185.04231	1.4
201.03664	0.6
203.05298	0.9
243.08456	2.6
276.52109	0.5
317.20947	0.9
321.30637	0.8
347.09491	5.4
365.10477	0.7
405.13699	7.6
408.23022	0.7
445.88782	0.7
463.14429	2.8
475.14917	0.6
478.77866	0.7
535.28619	8.3
580.74463	0.7
687.27814	1.2
697.34082	11.5
769.36230	0.9
991.55817	100.0
992.55481	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	991.5591
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03420	3.4
69.07091	0.8
71.05020	1.0
73.02916	3.2
74.04003	0.8
79.05477	1.8
81.03419	1.0
81.07056	3.4
83.73506	0.8
85.02892	5.9
91.03961	1.6
91.05496	1.7
93.07050	1.3
95.08612	3.0
97.02883	5.0
97.26939	0.6
107.08585	1.1
109.02907	0.8
109.72630	0.8
121.10188	1.2
122.43258	0.8
167.91911	0.8
185.95116	0.9
243.08397	0.8
333.20526	1.3
347.09763	1.3
405.13812	4.9
519.29401	10.5
551.28259	6.4
681.34174	7.5
713.33594	1.8
991.55841	100.0
992.55420	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	991.5588
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	3.6
73.02911	1.1
79.05460	1.2
81.03401	1.2
81.07055	1.0
83.08627	1.1
85.02879	5.1
91.03945	2.6
91.05475	1.1
93.07021	3.1
95.04965	0.9
95.08598	1.2
97.02887	4.8
97.06493	0.6
101.02341	1.2
105.07060	0.7
107.08605	2.6
109.10175	0.8
127.03876	1.3
131.08478	0.7
133.10077	0.8
145.10094	1.2
149.09695	0.9
238.99966	0.6
243.08476	2.6
275.20047	0.8
327.45877	0.7
333.20386	0.7
347.09534	1.4
365.10260	1.4
389.23117	0.7
405.13693	7.8
519.29199	5.8
551.28113	8.5
571.92468	0.6
681.34619	4.6
713.33765	6.6
829.50745	1.2
991.55762	100.0
992.56433	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	989.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.4
69.07064	1.3
72.60885	0.8
73.02911	1.7
79.05503	3.2
81.03392	1.0
81.07052	1.6
85.02873	5.3
91.03947	3.5
91.05466	1.2
93.07060	2.9
95.08611	3.0
97.02874	5.2
99.04458	0.8
101.02380	1.0
105.07069	1.0
107.08576	0.9
109.10138	0.8
121.10163	0.9
127.03933	1.1
243.08498	1.3
331.18668	1.0
335.25943	0.9
347.09561	1.4
405.13403	6.2
454.57175	0.8
519.29132	7.5
549.27032	3.1
681.34857	6.2
711.31604	0.9
778.19598	0.9
989.54285	100.0
990.54803	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	990.6355
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	5.1
69.07059	21.8
71.04969	2.1
71.08623	15.5
79.05121	1.2
79.05491	21.2
81.03395	1.7
81.07049	21.1
83.04971	1.8
83.08598	7.5
85.02843	1.2
85.10169	9.8
88.29581	1.2
91.05467	12.1
93.07040	16.0
95.04955	5.5
95.08604	18.9
97.02870	9.4
97.06467	1.5
97.10151	14.1
105.07007	6.3
107.04932	5.3
107.08602	8.8
109.10175	11.7
111.11721	1.5
112.53843	1.2
117.06997	2.8
119.08552	7.8
119.24438	1.3
121.06423	1.7
121.10133	5.6
123.08043	1.9
125.09623	5.2
129.06961	2.2
131.08546	5.5
133.06522	1.6
133.10133	2.5
134.07286	1.4
135.08060	2.0
143.08560	3.1
145.10104	2.9
147.08043	6.0
149.13295	1.4
161.13214	1.5
171.11484	1.4
187.98386	1.3
223.13219	18.8
249.14888	2.3
273.18387	8.1
285.27859	1.9
291.19507	82.0
328.52551	1.5
341.30466	47.6
347.22241	2.1
365.23199	44.4
551.42822	1.6
613.47900	2.4
631.49310	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6038
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03415	9.3
69.07056	29.2
71.04972	4.3
73.02889	3.6
77.03884	0.7
79.05474	77.6
81.03400	13.4
81.07037	100.0
83.04959	10.2
83.08598	13.8
85.02885	13.9
85.06530	3.7
86.95720	0.8
91.03924	4.9
91.05460	59.5
93.07018	79.6
95.04942	15.9
95.08583	60.8
97.02870	8.9
97.06507	12.9
97.10149	5.9
99.04442	1.0
99.08061	3.0
103.05413	1.0
105.04526	1.5
105.07012	39.9
107.04937	5.8
107.08578	44.2
109.02891	1.2
109.06496	8.0
109.10141	21.2
111.04422	1.0
111.08074	7.5
115.03893	0.8
115.05448	1.6
117.07008	17.8
119.08562	29.2
121.06482	4.2
121.10115	31.4
123.08071	5.7
123.10910	0.7
123.11662	7.1
125.09624	1.6
126.41228	0.8
127.03889	4.9
128.06192	1.2
129.06993	5.7
131.08545	28.8
133.10115	24.7
135.08043	4.8
135.11665	20.4
137.09547	4.2
139.11122	1.1
141.06987	1.2
143.08537	6.2
145.04950	1.7
145.06456	0.8
145.10106	19.6
147.08022	0.9
147.11674	13.3
149.09598	9.5
149.13232	17.5
151.11128	3.5
155.08578	1.5
157.10155	5.4
159.08008	0.9
159.11658	15.7
161.09627	1.4
161.13229	5.0
163.11150	4.7
163.14771	2.9
167.08556	1.0
169.10121	4.2
171.11665	5.0
173.04471	1.5
173.13176	7.0
175.14847	1.4
177.12743	3.2
179.14233	1.2
181.12071	1.1
183.11725	1.4
185.13258	1.7
187.14784	4.4
189.12798	0.7
194.02338	0.8
195.11780	0.9
195.13788	3.2
197.13203	2.9
199.14822	1.5
201.12833	0.7
201.16422	1.1
209.13268	0.9
216.07350	0.8
227.12788	1.3
239.17911	1.6
243.21043	1.5
247.20570	1.0
251.16283	0.8
255.15805	7.8
257.18869	4.2
259.20282	1.0
261.22165	10.9
267.15714	0.9
269.17432	22.4
275.20004	15.5
317.24612	1.1
333.24063	1.2
335.25729	74.7
336.26175	1.0
349.23599	16.6
351.25024	1.0
367.24725	4.1
413.21423	1.5
437.34070	1.6
489.35117	0.9
511.37405	1.2
515.37274	20.8
529.38782	94.8
530.38965	1.6
569.41870	1.5
609.35370	1.3
609.44977	33.5
627.46124	14.1
650.74408	0.9
673.42822	3.6
753.49139	1.1
771.49426	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	986.6042
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	2.6
69.07052	13.7
71.01349	0.6
71.04952	0.7
71.90328	0.5
73.02895	2.9
79.05470	39.8
81.03392	1.3
81.07035	35.5
83.04970	2.5
83.08589	6.7
83.70513	0.7
85.02886	8.6
85.06522	1.2
85.17750	0.6
87.43359	0.6
91.03931	3.8
91.05458	48.0
93.07019	42.7
93.75352	0.6
95.04932	9.0
95.08578	31.6
95.09194	1.1
97.02867	4.6
97.06499	1.4
97.10136	2.8
103.05429	2.2
105.04499	1.2
105.07009	46.0
107.04967	1.1
107.08575	22.8
109.06509	3.9
109.10142	9.9
111.08057	0.9
115.05452	3.2
117.07000	24.1
119.08553	36.4
119.09392	1.3
121.06517	0.9
121.10124	16.3
123.11666	2.5
125.09641	1.1
127.03918	1.3
128.06194	5.1
129.05508	0.9
129.06966	19.2
130.07782	1.4
131.08543	29.6
132.54533	0.7
133.10098	22.4
135.08034	1.1
135.11682	7.6
135.14673	0.6
137.09692	0.8
141.06940	7.5
142.07771	3.8
142.56735	0.7
143.08537	16.3
144.09314	2.5
145.04962	1.2
145.06407	1.0
145.10101	24.2
147.11667	15.0
147.12772	1.1
149.09599	1.0
149.13217	4.8
153.07001	2.3
155.08517	11.4
156.09276	2.6
157.10091	14.0
159.11647	16.3
161.09596	0.8
161.13261	5.8
163.05991	1.3
163.11086	1.1
163.14845	1.1
166.07642	0.8
167.08522	6.4
168.09421	1.3
169.10081	15.3
171.11656	13.5
173.13214	9.8
175.14775	3.5
179.08542	3.0
180.09355	1.1
181.10068	7.9
182.10793	1.2
183.11649	16.6
185.09572	0.9
185.13197	8.9
187.11201	0.8
187.14755	4.4
189.12718	0.8
189.16351	1.0
193.10092	4.6
195.11615	7.5
197.13234	10.3
199.14771	6.5
201.16451	0.9
207.11755	2.7
209.13217	4.8
210.14201	0.7
211.14775	6.1
213.16391	4.2
215.18005	1.1
217.15715	0.7
219.11757	0.7
221.13231	4.0
223.14796	4.4
225.16302	4.9
227.17944	3.1
229.19487	0.8
235.14735	2.7
237.16302	2.7
239.17999	3.3
241.19479	1.5
249.16432	1.1
251.17946	1.1
253.19644	1.1
255.17276	0.9
257.18906	3.2
259.20496	5.0
260.45062	0.7
263.17761	1.1
267.20889	0.7
283.20569	0.8
283.23874	0.6
297.22174	0.7
298.73779	0.6
311.23572	1.1
313.21405	0.8
323.23590	1.5
325.21466	0.7
331.22757	0.9
333.24069	2.9
335.25986	1.1
337.25110	1.5
349.25082	0.8
351.26648	1.4
377.28314	0.8
407.29184	0.8
409.31229	0.9
421.30972	0.7
447.32092	0.9
459.31448	0.7
461.32831	0.7
473.32721	0.7
487.34171	1.3
495.34921	0.7
501.35477	1.5
509.13953	0.7
513.35242	0.8
515.37903	1.0
517.40338	8.3
535.41669	4.6
539.37036	2.7
567.39612	0.7
573.43073	1.0
591.43988	8.8
607.43201	2.8
609.45013	100.0
610.44922	2.9
651.45917	0.8
675.45642	0.8
693.46783	1.2
699.45618	1.3
717.47064	1.1
735.47565	2.5
753.48334	2.7
771.50177	9.5
941.61615	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03398	2.9
69.06719	0.8
69.07055	14.8
71.04964	2.8
73.02868	0.6
79.05473	41.1
81.03378	3.9
81.07037	51.0
82.07401	0.7
83.04958	6.7
83.08603	17.2
85.02892	6.3
85.06513	2.5
91.03939	0.9
91.04883	0.8
91.05457	27.8
93.07021	45.3
95.04942	37.6
95.08580	34.6
97.02861	2.9
97.06509	4.7
97.10149	6.5
99.04420	3.4
99.08064	0.7
105.04475	1.4
105.07011	24.1
107.04944	5.4
107.07861	1.1
107.08575	28.3
109.06516	6.3
109.10136	14.8
111.04419	5.2
111.08047	3.1
117.06990	11.1
119.08549	18.4
121.06461	3.1
121.10118	19.5
123.08032	4.2
123.11645	3.7
125.09627	4.7
129.07016	4.0
131.05077	0.6
131.08531	13.5
133.10101	14.6
135.08012	3.4
135.11662	11.2
137.09529	2.4
139.11119	0.6
141.06984	0.7
143.08510	3.3
145.04926	0.6
145.10118	16.8
147.07986	4.4
147.11646	8.8
148.50435	0.6
149.09578	13.9
149.13210	4.0
151.11134	1.0
153.12708	0.8
155.08574	0.9
157.10077	2.5
159.07986	0.8
159.11656	10.1
161.09508	0.8
161.12108	0.7
161.13225	4.7
163.11154	14.7
165.12698	2.2
169.10109	2.9
171.11636	2.3
173.09564	0.9
173.11786	0.7
173.13222	3.9
175.11143	0.9
175.14803	1.0
177.12714	2.9
177.16147	0.7
180.54352	0.8
183.11649	1.3
187.11124	3.0
189.11133	2.8
189.12743	0.6
201.12704	0.7
205.12224	2.6
223.13248	10.6
227.12700	0.7
229.19440	2.2
236.20100	0.7
239.17874	3.3
243.21036	1.0
257.18964	3.2
261.22079	4.6
269.17334	0.9
275.20004	25.6
293.21075	13.9
317.24786	1.3
335.25732	75.5
349.23645	9.1
367.24713	22.6
376.54355	0.6
462.30124	0.6
470.34537	0.6
515.37201	1.2
529.38574	5.1
536.08026	0.6
558.45715	0.7
609.44897	23.8
627.46057	100.0
628.46228	1.1
645.46631	2.7
714.23401	0.6
987.58417	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6034
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03416	3.7
69.07066	17.3
70.04538	1.7
71.04983	2.2
79.05480	70.9
80.05791	2.3
81.03416	3.9
81.07043	58.4
81.07484	3.4
83.04979	7.2
83.08613	18.7
85.02897	8.7
85.06544	2.1
91.05470	47.6
91.65226	1.7
93.07028	60.3
95.04938	15.1
95.08592	42.0
97.06512	3.7
97.10153	38.3
105.07023	43.2
107.04960	2.8
107.08582	72.9
109.02854	2.2
109.06499	4.5
109.10135	24.7
111.08095	2.9
111.11610	2.0
116.55530	1.7
117.06996	17.5
119.08557	21.3
121.06467	2.4
121.10114	21.4
123.11674	2.3
125.09619	32.2
127.03812	2.1
129.07013	3.4
131.08549	24.2
133.10107	25.0
135.08067	3.8
135.11673	13.5
143.08508	6.4
145.10124	18.7
147.11713	12.5
149.09642	8.9
149.13225	9.1
153.09100	2.1
153.12766	1.8
157.10191	2.2
159.11687	9.4
161.13234	8.3
168.72040	1.9
171.11642	2.8
173.13249	3.9
175.14847	1.9
189.11165	16.9
227.12767	26.7
230.45752	1.9
239.17999	2.2
257.19000	8.5
259.20587	2.2
261.22119	10.2
273.18472	2.3
275.20056	22.6
283.40988	1.9
331.22525	2.3
335.25790	59.6
349.23669	28.2
487.34061	2.9
505.35214	15.8
535.41437	2.3
576.21582	2.3
609.45044	100.0
617.12769	2.1
626.44647	4.1
627.46289	23.6
649.38745	3.3
714.96204	2.3
789.51410	2.3
1014.15637	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	986.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03399	3.0
69.06716	0.9
69.07053	15.0
69.14652	0.8
71.04979	1.3
73.02899	1.3
79.05472	55.1
81.03390	4.8
81.07036	53.4
81.07420	0.9
81.07530	1.1
81.84457	0.7
83.04955	8.8
83.08603	22.4
85.02892	7.5
85.06522	1.0
91.04881	1.3
91.05460	38.7
92.09347	1.0
92.64127	0.8
93.07024	55.6
95.04945	63.0
95.08578	38.7
97.02853	3.2
97.06490	5.5
97.10144	9.0
99.04408	5.4
99.08097	1.4
105.07010	31.3
107.04949	9.2
107.08573	36.9
109.06480	6.2
109.10155	15.5
111.04417	8.2
111.08059	5.0
115.05436	1.0
117.06998	14.5
119.08546	27.1
121.06479	5.8
121.10126	24.0
123.08038	6.3
123.11697	6.7
125.09621	6.3
128.06165	1.2
129.06952	4.6
131.08542	18.3
133.10094	17.2
135.08043	5.9
135.11668	15.0
137.09567	1.9
139.11104	1.7
141.06978	1.6
143.08517	3.9
145.06451	0.9
145.10110	24.6
147.08012	5.7
147.11694	12.0
149.09596	22.4
149.10710	1.3
149.13214	4.8
150.54718	0.8
151.11145	3.0
153.09116	1.4
155.08543	1.9
157.10075	4.9
159.11685	10.7
161.09599	3.3
161.13222	4.3
163.11148	22.2
165.12762	3.2
169.10124	3.6
171.10101	0.9
171.11580	1.6
173.09587	1.3
173.13206	4.6
175.11206	1.2
175.14796	0.9
177.12717	3.9
183.11655	1.8
185.13284	1.3
187.11205	1.8
187.14685	1.0
189.11160	3.8
191.14226	0.7
197.13185	1.0
201.12776	1.0
205.12198	3.8
223.13274	19.3
229.19441	1.4
239.17923	3.5
247.20497	0.8
257.19000	5.5
261.22064	4.0
269.17371	0.9
275.20013	31.7
293.21078	22.2
317.25055	1.3
335.25742	65.7
349.23706	11.4
367.24722	45.4
515.37201	1.0
529.38641	3.6
609.36713	1.2
609.45068	20.8
627.46039	100.0
628.45905	3.0
645.47137	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5877
Annotation	Unknow
Peak:m/z	Relative Intensity
69.06710	1.3
69.07053	19.8
71.04973	1.3
73.02905	0.7
79.05472	36.9
81.03410	5.1
81.07036	43.7
83.04973	4.6
83.08623	6.9
85.06541	1.0
91.05458	58.2
92.08642	0.8
93.07021	36.8
95.01296	7.6
95.04948	12.7
95.08582	28.0
95.09191	0.9
97.06509	12.3
97.10132	1.4
101.71223	0.6
102.29890	0.8
103.05434	2.3
105.04553	1.0
105.07013	86.3
107.04942	15.9
107.08567	19.2
109.06518	3.8
109.10141	9.3
111.08083	1.3
115.05438	1.4
117.06998	17.6
119.08559	46.9
121.06447	2.5
121.10130	11.5
123.04399	0.9
123.08050	3.7
123.11686	1.5
125.70609	0.7
128.06233	1.0
129.05484	0.8
129.06975	8.1
130.07784	1.5
131.08546	24.4
133.10103	38.7
135.08031	3.2
135.11656	9.4
137.09615	1.1
141.06999	1.5
142.07707	0.9
143.08505	5.8
145.06505	1.0
145.10112	18.6
147.07967	0.8
147.11664	22.5
147.27719	0.7
149.09589	4.9
149.13251	4.9
151.11192	0.9
155.08543	3.1
157.10100	6.2
159.11658	14.2
161.13239	12.1
163.11169	2.5
163.14809	1.1
165.09079	1.5
169.10095	2.7
171.11659	7.1
173.13269	7.1
175.14799	3.9
177.12762	2.7
179.14259	7.5
183.11664	1.2
185.13242	4.3
187.11195	3.3
187.14819	1.3
197.13303	1.1
199.14862	1.3
217.19658	0.7
231.20909	1.3
239.17998	1.5
241.19502	9.7
257.18976	3.0
259.20502	14.3
275.17014	1.1
275.20013	32.5
288.92465	0.8
315.23334	5.4
315.26331	0.8
333.24176	28.4
349.23682	36.2
513.35626	1.5
527.36597	1.0
544.63593	0.7
559.32111	0.6
607.43481	100.0
608.43469	3.4
625.44495	18.2
625.54053	1.3
769.48041	0.8
956.13690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	986.6037
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03407	2.3
69.07058	22.5
71.04980	4.5
73.02894	2.4
75.68582	1.1
76.14063	1.1
79.05474	49.6
81.03415	2.7
81.07039	100.0
83.04974	8.1
83.08608	14.3
85.02891	8.5
85.06519	1.9
91.03944	2.6
91.05462	35.8
92.08611	2.2
93.07021	51.3
93.29088	1.2
95.04939	12.3
95.08582	42.9
97.02882	6.4
97.06511	5.8
97.10148	2.4
99.08068	1.7
105.07016	36.3
107.04936	7.3
107.08582	28.9
108.30769	1.2
109.06516	19.4
109.10149	12.7
111.08041	2.1
117.07003	10.8
119.08559	31.3
121.06451	4.6
121.10126	21.9
122.10400	1.1
123.08008	8.6
123.11671	9.8
125.09593	2.3
127.03915	1.1
129.06949	1.9
131.08553	19.6
133.06468	1.4
133.10107	19.2
135.08073	4.2
135.11732	8.6
137.09612	4.8
145.10097	14.4
147.08084	1.3
147.11655	18.3
149.09586	6.3
149.13274	6.3
151.11147	2.8
157.10114	4.7
159.11629	10.4
161.13245	2.8
163.11176	6.0
165.12685	2.7
166.25548	1.3
169.10126	1.2
171.11749	1.2
173.13208	6.0
175.11153	1.5
177.12714	1.7
183.11755	1.3
187.14825	1.9
189.97969	1.2
197.13309	1.4
239.17857	1.2
243.20889	1.3
247.20381	2.1
252.27904	1.3
257.19009	2.8
261.22046	5.3
275.20056	31.3
291.19559	9.5
292.19803	5.6
293.21021	11.7
331.33594	1.2
335.25729	44.6
336.26022	1.6
339.33786	1.3
349.23657	16.1
365.23212	2.0
366.23535	4.7
367.24741	35.3
609.45111	50.1
626.44470	6.8
627.46014	73.1
628.46307	1.9
872.41998	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5874
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03417	11.8
69.06713	1.6
69.07055	28.9
73.02910	1.5
79.05471	53.6
80.11577	0.9
81.03388	7.7
81.07034	54.6
83.04962	5.8
83.08603	13.9
85.02898	5.8
91.03932	1.6
91.05460	31.5
93.07018	47.5
95.04932	14.2
95.08578	37.3
97.02866	16.3
97.06535	4.0
97.10159	14.6
97.45339	1.0
103.05442	2.2
105.04507	1.0
105.07016	26.0
107.04930	9.6
107.08576	29.3
109.06499	6.0
109.10143	17.4
111.08046	1.9
115.48427	1.0
117.06993	10.3
119.08556	20.9
121.06441	4.2
121.10128	14.0
123.08045	4.4
123.11691	1.8
125.09591	10.6
129.06987	5.2
131.08548	13.5
133.06473	4.6
133.10132	9.5
134.07281	1.7
135.08008	2.1
135.11662	8.2
137.09595	1.5
142.07729	1.0
143.08534	2.5
145.10085	12.0
147.08003	8.3
147.11708	4.4
149.09550	1.9
149.13246	4.3
151.11151	1.3
155.08568	1.3
157.10083	1.7
159.11676	5.0
161.09641	2.2
161.13144	1.9
163.11165	2.2
163.14778	1.3
165.09064	1.7
165.87628	1.0
169.51625	1.1
173.13206	2.2
175.11232	2.1
177.12662	1.0
187.14830	1.2
189.11220	3.8
195.13852	1.7
205.12247	2.3
218.50763	1.0
223.13257	26.1
243.21158	2.1
249.14862	6.2
261.14835	1.1
261.22089	4.8
273.18427	12.5
291.19479	100.0
317.24597	1.4
335.25748	52.5
335.29803	1.8
347.22299	1.3
365.23163	60.9
527.37274	1.3
545.38000	4.1
601.99347	1.3
607.43140	2.3
625.44495	98.1
626.44855	1.4
984.55341	1.9
1013.91473	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5883
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03419	8.2
69.07055	23.9
69.07440	0.5
71.04979	2.3
73.02909	0.9
79.05476	38.1
81.03400	3.6
81.07040	43.1
83.04968	3.5
83.08607	9.2
85.02890	5.1
85.06535	0.8
85.97640	0.5
91.03938	2.9
91.05461	25.6
93.07024	35.8
95.04942	10.2
95.08590	29.1
95.09202	1.0
97.02878	12.9
97.06512	2.9
97.10151	9.5
98.84766	0.6
103.05453	1.1
105.04534	1.0
105.07009	17.4
105.07658	1.0
107.04937	6.0
107.08578	21.3
109.06505	3.5
109.10138	14.0
111.08079	2.6
117.07004	8.0
119.04960	0.6
119.08560	16.7
121.06487	2.6
121.10112	13.6
123.08065	3.8
123.11681	3.6
125.09613	6.7
128.06152	0.8
129.06996	3.4
130.07668	0.7
131.08542	11.4
133.06494	3.2
133.10127	8.0
134.07266	0.8
135.08037	3.6
135.11681	6.4
137.09622	1.4
137.13287	0.8
139.87598	0.6
143.08531	3.6
145.06508	0.8
145.10109	8.6
147.08044	3.4
147.11681	5.3
149.09740	1.2
149.13242	3.6
151.11192	0.8
153.09097	1.0
157.10118	2.3
159.11667	4.2
161.09612	2.3
161.13252	3.3
162.10307	0.6
163.11147	2.0
165.09140	0.9
171.11632	1.1
173.13277	2.6
175.11136	0.9
187.14749	1.1
189.11172	2.4
199.14789	1.0
205.12224	1.0
211.13310	0.6
223.13269	19.9
227.12691	1.0
243.21135	0.7
245.18922	0.9
249.14796	2.9
261.22018	5.3
263.19986	0.8
273.18423	8.4
291.19495	78.7
295.46103	0.7
317.24753	1.2
335.25745	53.9
347.22064	1.2
365.18613	1.3
365.23169	35.7
375.22064	0.7
506.97760	0.6
527.37830	0.8
545.38544	4.5
607.43091	3.6
625.44568	100.0
626.44617	3.0
643.45276	0.8
689.42041	0.7
924.36890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	984.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	4.0
69.07057	19.6
71.04965	3.4
79.05475	52.8
81.03398	7.6
81.07039	77.1
83.04970	13.3
83.08605	6.7
85.02891	6.3
85.06509	3.6
91.05456	53.2
93.07025	51.3
95.04949	15.7
95.08588	35.5
97.02878	1.7
97.06506	6.2
105.07018	44.5
105.07663	2.6
107.04938	3.3
107.08584	40.0
109.06522	10.3
109.10150	50.1
113.83315	1.7
117.06986	11.8
117.24110	1.8
119.08570	23.7
121.06493	3.9
121.10123	16.5
121.40772	1.5
123.11680	8.7
125.09651	1.8
127.07486	2.0
131.08527	16.8
133.06468	2.6
133.10120	58.1
135.08031	9.5
135.11682	8.5
143.08534	3.9
145.10121	10.4
147.11659	7.7
149.09631	2.6
149.13289	2.4
151.11153	23.5
159.11717	2.2
161.09573	6.4
161.13289	2.2
171.11705	2.3
173.13222	3.7
245.19032	2.4
253.14305	49.0
261.22156	3.9
273.18546	11.8
291.19427	12.8
317.24750	1.9
335.25729	68.8
335.29739	2.4
347.22278	6.3
365.23178	29.6
391.05170	1.8
457.32764	2.4
513.35443	3.8
531.36823	27.1
607.43347	7.3
625.44574	100.0
626.44250	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	984.5879
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03411	4.0
69.07057	19.6
71.04965	3.4
79.05475	52.8
81.03398	7.6
81.07039	77.1
83.04970	13.3
83.08605	6.7
85.02891	6.3
85.06509	3.6
91.05456	53.2
93.07025	51.3
95.04949	15.7
95.08588	35.5
97.02878	1.7
97.06506	6.2
105.07018	44.5
105.07663	2.6
107.04938	3.3
107.08584	40.0
109.06522	10.3
109.10150	50.1
113.83315	1.7
117.06986	11.8
117.24110	1.8
119.08570	23.7
121.06493	3.9
121.10123	16.5
121.40772	1.5
123.11680	8.7
125.09651	1.8
127.07486	2.0
131.08527	16.8
133.06468	2.6
133.10120	58.1
135.08031	9.5
135.11682	8.5
143.08534	3.9
145.10121	10.4
147.11659	7.7
149.09631	2.6
149.13289	2.4
151.11153	23.5
159.11717	2.2
161.09573	6.4
161.13289	2.2
171.11705	2.3
173.13222	3.7
245.19032	2.4
253.14305	49.0
261.22156	3.9
273.18546	11.8
291.19427	12.8
317.24750	1.9
335.25729	68.8
335.29739	2.4
347.22278	6.3
365.23178	29.6
391.05170	1.8
457.32764	2.4
513.35443	3.8
531.36823	27.1
607.43347	7.3
625.44574	100.0
626.44250	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	984.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03403	19.3
69.07044	20.4
71.04961	9.6
73.02906	20.8
79.05476	84.2
79.25096	4.5
81.03388	49.8
81.07038	100.0
83.04963	37.9
83.08605	42.1
85.02879	24.5
91.03928	6.0
91.05466	88.0
93.07024	76.2
95.04924	56.8
95.08588	26.8
95.29401	4.8
97.02864	23.5
97.06495	25.3
97.10152	42.2
98.07272	7.3
99.96651	4.6
103.53106	5.3
105.07018	33.5
107.04940	19.5
107.08589	43.8
109.06498	12.4
109.10148	71.7
111.04389	9.9
111.08063	7.7
116.04691	11.1
117.06969	11.3
119.08572	40.5
121.10127	9.6
123.08030	9.4
125.09602	46.6
127.03976	5.6
129.05450	60.3
129.06999	6.3
131.08533	21.0
133.10085	22.0
135.08009	8.3
135.11610	6.0
143.06950	6.2
145.10085	25.3
147.11646	10.0
149.09532	8.9
157.08569	21.6
157.09984	6.5
163.11133	36.7
163.23438	4.8
165.12776	5.5
171.10081	5.1
173.11693	9.7
175.11162	7.2
175.13789	4.6
181.12213	7.6
189.11134	9.4
199.13239	20.6
200.13950	5.3
209.11713	21.3
211.13278	5.8
223.13261	5.3
227.12753	26.7
229.14273	24.0
255.15775	7.3
267.15808	19.4
275.19879	7.5
283.15308	41.9
301.16367	83.3
339.76886	5.4
349.23486	6.2
367.24899	7.0
443.26331	6.8
455.26089	27.1
475.25842	5.8
509.27304	19.0
521.34619	8.9
527.28326	70.1
590.48505	5.4
607.37476	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	982.6299
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03405	2.1
69.07049	22.4
71.04971	3.1
71.08613	23.9
73.02907	2.3
79.05473	25.3
81.03412	2.3
81.07038	54.6
83.04974	3.4
83.08601	24.6
85.02863	10.4
85.06499	3.4
85.10170	18.6
91.03929	6.1
91.05459	21.9
91.79979	1.2
93.07018	27.5
95.04952	9.3
95.08580	42.4
97.02863	3.1
97.06496	6.1
97.10152	14.6
99.42154	1.3
105.07010	16.4
107.04931	6.4
107.08580	24.1
109.06525	3.3
109.10144	59.0
111.08055	2.5
117.06998	7.7
119.08566	19.1
121.06501	1.7
121.10162	10.4
123.08040	2.7
123.11665	7.6
125.09622	10.3
127.03948	2.1
130.36301	1.5
131.08540	8.8
133.10089	13.6
135.08037	3.0
135.11649	5.2
137.09529	2.2
137.13203	2.3
139.11098	1.6
145.06329	1.5
145.10098	7.8
147.11678	7.8
149.09593	8.8
149.13222	7.3
159.08052	1.7
159.11687	6.4
163.11076	2.4
173.11755	12.5
173.13135	2.0
177.12723	2.1
189.11205	3.2
197.13139	1.7
225.10184	1.4
227.12706	10.3
229.14302	48.6
236.43500	1.4
245.16801	1.4
252.48495	1.5
257.18961	7.2
257.24454	2.6
269.17374	13.9
275.19989	25.2
313.27316	100.0
335.25906	1.4
349.23734	20.1
367.24692	16.7
467.37271	44.9
507.40341	55.3
587.46631	50.4
605.47595	32.2
623.42664	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	981.611
Annotation	Unknow
Peak:m/z	Relative Intensity
71.40897	1.3
72.33147	1.3
73.02894	1.6
81.07042	1.5
85.02901	5.5
97.02890	2.6
136.92368	1.3
146.31857	1.4
169.10684	1.6
188.46210	1.7
347.09384	2.7
405.13974	7.8
525.34186	2.9
535.29120	6.0
596.87592	1.7
687.39655	4.9
697.34259	5.8
981.61047	100.0
982.60986	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	980.6141
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	5.1
69.07057	19.8
71.04967	2.5
71.08614	28.1
73.02900	2.1
75.04453	1.3
79.05005	1.7
79.05473	47.2
80.04485	1.1
81.03410	12.4
81.07037	95.5
83.04965	18.9
83.08604	30.3
85.02882	15.0
85.10169	18.5
89.06004	1.1
91.03942	2.6
91.05463	34.2
93.07020	33.8
95.04950	22.6
95.08588	42.9
97.02865	6.9
97.06528	9.4
97.10146	33.8
99.04438	2.0
99.08041	2.6
103.05508	1.3
103.07544	1.3
105.07005	23.7
107.04939	13.8
107.08577	35.5
109.06505	11.6
109.10140	22.4
111.04414	19.4
111.08071	7.0
111.11639	1.4
115.05445	1.6
117.06979	17.6
119.08560	30.8
121.06510	11.5
121.10111	12.7
123.08050	29.0
123.11677	5.9
125.05951	1.3
125.09617	28.1
128.06203	2.0
129.06958	6.7
130.07750	1.4
131.08542	17.4
133.06471	6.4
133.10101	14.7
135.08054	9.9
135.11653	9.9
137.09599	5.0
138.88593	1.2
139.11171	2.5
139.19136	1.5
141.07019	1.5
143.08536	7.9
143.10652	1.6
145.10121	22.2
147.08015	13.6
147.11655	8.1
149.09605	12.4
153.09097	5.3
153.12714	8.9
157.10069	5.9
159.08018	4.4
159.11627	7.0
161.09563	12.4
163.11127	22.8
165.09068	6.8
167.08592	2.0
171.11597	2.1
173.09573	4.8
173.13190	1.7
175.11125	5.6
177.12616	1.3
181.09946	1.2
181.12193	8.0
185.13264	1.7
189.11186	13.4
189.12662	2.4
191.10634	7.0
193.12180	7.2
203.14328	1.4
223.13187	4.6
227.12700	16.7
227.17734	1.5
244.75235	1.3
245.18954	5.0
249.14789	2.2
255.17299	1.3
257.24893	1.8
263.20023	2.1
273.18417	35.0
283.15393	2.3
291.19489	82.1
309.20453	14.1
313.27319	92.7
313.39481	1.3
347.22095	9.0
365.23181	42.4
383.24185	31.9
487.58432	1.6
498.89114	1.4
585.44824	2.9
603.46118	100.0
604.46240	2.4
621.47156	93.9
622.46973	1.4
643.47571	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	978.5983
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03410	2.4
69.07054	23.9
71.04977	1.9
71.08614	25.9
73.02880	3.7
79.05469	22.6
81.03396	6.0
81.07034	43.9
83.04961	7.1
83.08601	18.4
85.02885	13.7
85.10169	14.8
85.48476	0.9
87.15939	0.9
88.04752	1.1
89.06007	1.2
91.03922	7.3
91.05454	18.4
92.64342	1.2
93.07018	20.8
95.04939	7.5
95.08583	27.6
97.02883	8.6
97.06499	4.1
97.10143	17.6
99.00793	4.0
99.04408	2.2
105.07018	14.0
107.04958	9.0
107.08583	18.7
109.02877	5.7
109.06493	4.2
109.10145	16.0
111.04414	4.3
111.08056	4.5
115.05401	1.4
117.07005	9.3
119.08568	12.9
121.06470	7.9
121.10129	2.4
123.04424	1.4
123.08061	1.5
123.11677	1.9
125.09624	10.5
127.03878	4.1
128.06155	1.2
131.08560	7.0
133.06473	2.0
133.10120	13.3
135.04427	1.4
135.08034	16.9
135.11639	3.7
137.05901	1.1
137.09586	4.8
137.13193	1.3
139.07567	1.6
143.08531	4.5
145.04900	1.3
145.06465	5.2
145.10094	5.5
147.08018	1.7
147.11664	1.4
149.09557	1.3
151.11159	3.8
153.09143	1.9
153.12746	4.6
155.08438	1.3
157.10114	1.3
159.08017	4.9
159.11627	1.3
161.09604	6.8
163.06160	1.6
163.07437	7.6
163.11130	4.1
173.09528	2.2
175.11208	1.9
179.10617	2.2
181.24796	1.0
183.11749	1.1
189.11209	2.4
191.10648	1.6
193.12190	17.2
227.12747	2.3
239.23637	1.8
243.17380	1.6
257.24783	1.8
261.18317	1.8
271.16830	5.3
283.15332	1.0
289.17880	16.5
307.19009	6.3
313.27307	94.0
314.27554	1.4
358.36798	1.7
363.21750	6.7
381.22629	100.0
382.22977	1.5
399.08603	1.0
505.38995	1.4
601.44409	15.9
619.45581	98.6
939.56879	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	976.6561
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03398	4.7
69.07049	27.9
71.08617	33.0
73.02966	4.8
76.99973	4.7
79.05475	43.0
79.44328	5.2
81.07041	56.2
83.08610	8.2
85.02882	27.0
85.10167	27.3
91.03926	6.6
91.05461	67.9
91.23112	4.8
92.09402	17.8
93.07021	42.5
95.08588	44.2
95.94516	5.6
97.02846	11.6
97.10088	6.1
105.07008	67.6
107.08565	28.9
109.10120	9.6
117.06983	23.0
119.08556	51.9
121.10100	23.8
123.11702	6.3
129.06934	6.2
131.08536	35.4
133.10130	40.4
135.11682	22.3
143.08621	7.2
145.10081	24.0
147.11650	52.4
149.13257	10.5
157.10059	8.7
159.11736	22.7
161.13286	11.8
163.11160	5.2
171.11642	8.0
173.13197	6.6
175.14758	9.0
187.14787	6.2
199.14798	6.4
210.33078	5.7
236.01773	5.4
241.19479	31.3
259.20563	87.8
269.01834	5.8
299.53278	5.6
320.35699	6.4
333.24176	44.1
341.30396	79.3
454.45975	6.0
556.05975	6.1
599.50269	20.4
617.51526	100.0
1012.84973	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	973.548
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03421	2.5
69.92966	1.2
72.75553	1.2
73.02912	4.8
74.65538	1.0
79.05488	2.6
80.65358	1.1
81.03360	1.8
81.07060	2.2
85.02901	9.1
91.03980	2.7
91.05481	1.5
93.07045	2.9
95.08586	2.5
95.18105	1.2
97.02885	5.4
105.07028	1.8
107.08610	1.4
198.97107	1.1
315.19321	1.7
351.33832	1.4
405.13770	8.0
458.22482	1.5
519.29584	7.0
533.27405	8.0
681.34680	7.8
695.32257	1.9
923.53644	1.4
973.54791	100.0
974.53882	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	974.6406
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07038	12.0
79.05465	14.0
81.07040	22.9
83.08596	3.4
91.05445	20.3
93.07022	13.7
95.08559	20.3
97.06479	6.3
105.07013	38.9
107.04916	4.2
107.08577	6.2
109.10132	4.9
117.06991	4.8
119.08559	12.3
121.10109	2.7
131.08554	9.7
133.10065	18.2
145.10110	5.8
145.56464	2.5
147.11665	5.1
159.11690	2.8
179.14279	4.2
249.43855	2.6
258.96536	2.4
259.62186	2.6
275.20020	19.0
341.30423	15.9
349.23526	10.4
369.22980	2.8
397.09399	2.9
398.02768	2.7
579.44080	3.0
615.40375	4.6
615.49744	100.0
810.02936	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	975.5644
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03428	1.7
69.07061	0.7
73.02901	3.1
76.26419	0.7
79.05495	2.9
81.03424	1.4
81.07056	2.6
85.02905	3.9
86.52248	0.6
91.03984	3.1
91.05477	1.1
93.07038	2.8
95.08595	1.2
97.02888	4.0
101.02365	1.2
104.27113	0.7
105.07100	1.0
107.08599	0.7
121.10201	0.8
135.11739	0.8
145.04933	0.8
185.04086	1.0
203.05399	0.8
210.42282	0.7
243.08388	1.6
295.67255	0.8
333.55945	0.7
347.09692	4.6
363.09201	0.8
405.13559	6.1
519.29352	6.6
535.28833	2.9
681.34729	7.8
697.33936	1.3
975.56305	100.0
976.56567	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	975.5634
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03427	1.6
73.02909	3.6
78.29004	0.8
79.05495	2.2
81.03435	1.4
81.07048	3.8
85.02918	4.3
91.05475	4.5
93.07040	4.0
95.08627	1.4
97.02909	3.8
101.02396	1.2
105.06995	1.6
119.08590	1.3
124.26612	1.0
131.08566	1.2
140.93756	1.0
145.10158	1.1
147.11707	1.0
209.24887	1.1
214.95531	0.9
243.08311	1.2
297.85843	1.0
347.09384	1.3
353.58862	0.9
405.13864	6.0
519.29657	2.1
535.29132	5.1
655.59332	1.2
681.34637	5.4
697.34521	4.7
936.36987	1.1
975.56317	100.0
976.56744	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	970.61
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03400	2.9
69.07055	24.3
71.04958	2.3
73.02888	2.9
79.05473	82.5
81.03397	4.6
81.07034	87.2
83.04950	2.7
83.08591	9.3
85.02870	15.7
85.06505	2.7
91.03934	10.6
91.05457	60.0
93.07018	94.8
95.04940	7.7
95.08578	69.6
95.09184	2.3
96.70930	1.9
97.02848	13.2
97.06537	2.6
97.10095	2.9
99.08015	2.4
105.07011	48.6
107.08569	48.6
109.06483	7.3
109.10158	20.1
111.08060	1.8
117.06983	23.2
119.08562	39.1
121.10123	32.2
123.11698	4.0
127.03856	2.7
129.06964	9.8
130.07793	2.0
131.08536	32.3
133.10086	34.0
135.11653	21.6
137.09552	2.0
143.08504	4.4
145.10100	26.2
147.11641	21.2
149.13245	10.0
157.10103	7.1
159.11658	18.1
161.13249	11.3
165.12781	2.3
165.74933	2.1
171.11638	8.0
173.13245	10.9
179.14293	3.0
185.13254	4.1
187.14777	9.0
199.14783	2.9
202.46034	1.9
215.17767	2.2
241.19336	8.2
256.50018	2.0
257.19135	2.3
259.20462	20.0
261.21951	3.1
277.21469	14.9
333.24106	14.9
335.25739	100.0
351.25229	32.1
388.77469	2.1
593.45184	4.3
611.46606	58.1
722.19556	2.3
969.56506	3.5
970.57703	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	970.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03418	5.6
69.07053	21.1
71.05006	1.3
73.02904	6.5
75.20799	1.4
79.05475	78.2
81.03389	1.4
81.07038	70.2
83.04956	1.4
83.08604	9.4
85.02892	18.7
85.06564	1.6
91.03943	12.7
91.04884	2.7
91.05460	79.5
93.07021	78.4
93.70673	1.2
95.04946	12.6
95.08006	2.6
95.08588	59.7
97.02860	7.4
97.06518	5.4
97.10183	2.1
103.05456	1.7
105.07014	81.8
107.08574	42.6
109.06505	3.0
109.10145	21.9
109.67491	1.5
112.43768	1.3
117.06996	26.9
119.08554	62.8
121.10124	29.2
123.07989	1.6
123.11678	6.3
127.03889	2.6
128.06192	3.1
129.06953	17.5
131.08537	36.2
133.10104	45.1
135.08072	1.4
135.11688	24.3
143.08549	11.6
145.04944	1.7
145.10109	27.7
147.11682	30.6
149.09633	1.6
149.13261	11.2
157.10085	8.9
159.11649	25.7
161.09727	1.3
161.13229	21.1
163.06024	3.3
163.11156	1.4
163.14731	2.1
169.10146	5.4
171.11652	13.7
173.13187	11.9
175.14804	7.3
183.11653	2.7
185.13251	7.9
187.14740	3.0
199.14848	6.6
201.16446	2.2
223.65811	1.4
231.21001	3.1
241.19528	17.0
243.21120	1.6
251.21208	1.6
257.18860	6.1
259.20514	52.7
261.22046	8.1
282.52567	1.3
315.23148	2.4
331.22803	3.4
333.24182	36.4
335.25775	58.0
337.27240	3.2
519.41760	7.2
537.42804	2.4
593.45520	14.9
611.46625	100.0
612.47089	1.6
701.46997	1.8
737.48846	2.2
755.50635	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	970.6088
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03414	5.4
69.07049	22.8
71.04969	1.8
73.02896	3.9
77.03902	1.6
79.05472	87.3
81.03385	1.7
81.07036	82.7
83.04948	3.8
83.08597	11.2
85.02885	18.7
85.06512	2.6
91.03938	16.3
91.05457	81.0
93.07020	100.0
95.04948	11.2
95.08585	68.2
97.02879	11.3
97.06511	4.7
97.10135	4.8
98.99797	0.7
99.04407	1.4
99.08031	1.1
103.05443	1.5
105.04483	0.9
105.07011	73.3
107.04935	1.0
107.07865	1.7
107.08573	42.6
109.06476	5.9
109.10146	21.7
111.08071	3.0
113.62309	0.8
115.05402	4.3
117.06989	24.5
117.84045	0.7
119.08556	61.8
121.06501	1.4
121.10117	38.6
123.08000	2.9
123.11659	5.2
125.09634	1.3
127.03871	3.6
128.06215	3.5
129.05479	1.2
129.06981	14.2
130.06438	0.8
130.07780	1.4
131.08539	37.1
133.06479	1.2
133.10103	41.7
135.08037	1.1
135.10654	1.2
135.11650	20.9
137.09648	1.2
137.13217	0.8
141.06990	3.4
142.07730	1.9
143.08542	13.3
145.04951	5.4
145.10110	29.1
147.11662	37.7
149.09589	1.2
149.13231	12.9
151.11157	1.0
155.08508	2.9
156.09183	0.7
157.10110	13.6
158.10886	0.8
159.11656	24.6
161.13213	23.3
163.06036	5.7
163.11145	1.8
163.14758	4.1
167.08566	1.4
169.10184	5.7
171.11639	14.0
173.13211	14.8
175.14738	6.4
175.41011	0.8
177.12697	1.2
181.10066	1.3
183.11684	4.2
185.13251	11.0
187.14769	7.5
189.16374	1.6
191.14188	0.8
195.11678	0.8
197.13200	3.8
199.14874	6.4
201.16302	1.7
211.14838	1.8
213.16400	2.6
215.17874	1.8
223.14864	1.2
231.20988	4.0
239.17809	1.4
241.19514	16.9
243.21049	1.8
257.19043	5.4
259.20499	44.2
261.22058	8.2
315.22894	1.3
327.26855	0.9
331.22620	2.8
333.24164	34.1
335.25739	68.9
337.27371	4.2
345.23914	0.9
385.23700	0.9
403.24829	1.1
459.27206	0.9
469.04074	0.9
489.35605	1.2
515.36719	1.1
519.41815	4.2
593.45337	13.9
609.44574	1.0
611.46552	94.6
612.46869	1.7
623.45972	1.4
677.47772	1.2
701.47150	3.8
719.48431	4.3
737.49292	3.4
755.50433	4.6
765.26385	0.8
864.98944	0.9
934.74554	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5744
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05181	0.3
67.05477	2.6
69.03413	3.1
69.07047	0.4
70.15986	0.3
73.02901	3.0
79.05484	0.8
81.03412	1.6
81.07048	2.6
83.04977	0.6
83.08600	0.8
85.02892	4.9
85.10194	0.7
86.30440	0.4
91.03926	2.5
91.05487	0.9
93.07041	0.6
95.04935	1.2
95.08603	2.0
97.02859	4.8
99.04461	0.7
101.02382	2.0
105.07044	0.5
107.08584	1.3
109.02890	0.6
109.10174	0.5
117.07040	0.4
119.08546	0.5
119.80359	0.3
121.10139	0.8
127.03870	0.7
131.08519	0.4
145.10251	0.4
147.11702	0.4
163.11189	0.6
185.04222	0.6
186.24673	0.4
203.05096	0.4
238.06252	0.4
243.08459	2.0
275.20181	0.6
293.36557	0.4
313.27466	0.4
333.20593	1.8
347.09537	2.5
363.09167	0.5
365.10538	1.3
389.22769	0.7
405.13562	6.2
497.30685	5.9
551.28107	9.2
659.35681	4.4
713.33234	7.2
807.52618	1.6
830.16736	0.5
969.57385	100.0
970.57556	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	969.5747
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07035	3.3
85.02896	3.5
85.05373	1.5
91.03954	1.8
97.02897	2.8
101.57721	1.4
157.70795	1.4
171.26346	1.5
243.08392	1.5
253.56187	1.5
293.08987	1.4
299.18015	1.5
333.20490	2.3
347.09314	3.3
355.73642	1.4
405.13745	3.4
551.28485	6.4
600.53259	1.5
659.36646	2.9
713.32996	3.3
717.23706	1.7
759.51593	1.9
896.72565	1.8
969.57330	100.0
970.57855	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	970.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03405	13.1
69.07049	50.2
71.04958	5.2
73.02872	4.1
74.96899	2.7
79.05470	75.0
81.03395	60.8
81.07035	100.0
83.04958	24.9
83.08592	26.1
85.02881	34.5
85.06544	4.3
91.03895	3.1
91.05460	90.8
93.07022	62.7
95.04940	42.0
95.08588	55.1
97.02879	12.6
97.06495	20.2
97.10133	14.7
98.07301	3.7
99.08060	5.5
105.06372	3.7
105.07020	60.8
107.04931	24.6
107.08578	45.3
109.02867	4.9
109.06486	13.9
109.10138	51.8
111.08053	14.8
116.04632	2.8
117.06991	20.0
117.86266	3.1
119.08537	45.4
121.06455	4.2
121.10095	24.2
123.08058	4.1
125.09591	6.7
129.05431	21.8
129.06981	18.0
131.08537	33.2
133.10103	34.1
135.08066	5.5
135.11644	6.4
137.09598	13.5
142.07721	3.6
143.06964	4.0
145.10120	19.1
147.11655	21.0
149.09596	16.6
149.13217	3.7
152.15422	2.9
157.08629	5.4
157.10080	20.7
159.11623	15.4
161.09601	4.1
163.11130	19.0
165.12679	5.4
173.11754	5.8
173.13214	3.5
175.11156	12.9
177.12730	4.2
189.11189	4.7
193.12219	37.2
211.13275	34.3
227.12729	10.6
229.14316	17.8
237.55147	3.0
257.18900	5.4
267.15784	24.6
269.17380	11.5
275.20056	25.6
285.16891	33.3
301.16391	23.2
303.60281	3.5
349.23639	20.4
367.24780	4.0
421.25696	6.3
423.27316	12.6
439.26706	47.6
455.26392	5.7
461.28714	7.1
477.27991	5.7
479.29733	12.2
495.29642	10.7
541.34979	15.7
557.34998	3.9
559.36121	32.7
575.35907	24.1
577.37091	7.0
583.31262	5.4
593.36487	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	968.5928
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05137	1.0
67.05493	27.4
69.06717	0.6
69.07058	13.1
71.04960	0.6
79.05125	0.7
79.05474	24.9
81.03390	2.6
81.07037	35.5
83.04962	2.5
83.08600	3.3
83.09377	0.5
85.02859	0.5
85.06512	0.5
86.02094	0.5
91.05462	24.8
93.07025	26.0
95.01324	3.4
95.04955	6.1
95.08587	22.6
96.60625	0.6
97.02898	0.6
97.06501	9.2
97.10152	0.9
97.16949	0.4
103.05421	0.7
103.43615	0.5
105.07018	31.8
107.04943	6.1
107.08581	11.8
108.38602	0.5
109.06522	2.6
109.10133	6.4
111.08083	0.7
113.09568	0.7
117.07005	7.0
119.08556	17.3
121.06496	1.1
121.10126	8.2
123.08067	2.0
123.11688	2.0
129.06976	0.8
131.08542	10.8
133.10112	17.7
135.07965	1.6
135.11707	5.4
137.09583	0.5
141.07005	0.6
143.08673	0.8
145.10107	9.0
146.10802	0.6
147.11662	8.3
149.09648	2.7
149.13255	2.3
151.11165	0.5
155.08507	0.5
157.10123	0.6
159.11667	6.3
161.13277	2.6
163.11076	0.8
169.10155	0.6
173.13322	1.0
177.12720	0.9
179.14278	4.8
219.17357	5.0
240.19490	0.5
247.20566	0.6
257.19006	1.0
275.19980	15.8
275.22852	0.6
325.94479	0.5
328.99551	0.5
335.25726	39.5
349.23645	10.5
357.90775	0.5
364.14145	0.5
609.45056	100.0
610.45508	3.2
627.45691	0.6
865.06519	0.6
919.29675	0.6
969.57965	0.8
975.60522	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	969.5742
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	2.4
69.03426	2.6
69.07053	0.9
71.04925	0.4
73.02885	3.6
79.05479	2.0
81.03410	1.7
81.07050	2.4
85.02886	4.0
85.10187	0.9
91.03939	3.3
91.05481	0.7
92.09283	0.4
93.07041	2.5
95.04982	0.7
95.08595	1.9
97.02876	4.7
97.10170	0.4
99.04454	0.4
101.02390	2.2
105.07027	1.5
107.08634	0.8
109.02883	0.4
109.10162	0.4
119.08570	0.6
121.10188	0.8
125.17361	0.4
127.03887	1.6
135.11658	0.7
145.10107	0.4
147.11710	0.5
159.11642	0.4
185.04219	1.7
199.21378	0.5
243.08467	2.1
333.20428	1.5
347.09448	3.0
355.33585	0.4
365.10657	0.8
389.23041	0.7
405.13739	6.7
439.19510	1.5
453.20953	1.7
497.30789	6.2
551.28046	7.1
601.24249	0.5
615.26703	0.5
659.36224	5.4
713.33276	6.4
807.51794	1.6
969.57349	100.0
970.58051	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	968.5419
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	97.4
68.48171	2.4
69.03412	12.2
69.07051	22.3
71.04978	16.1
73.02906	3.6
79.05471	88.0
81.03397	94.5
81.07035	86.9
82.38718	2.5
83.04971	12.6
83.08613	25.6
85.02877	21.3
85.06561	3.5
85.13884	2.4
87.04446	4.1
91.03921	5.5
91.05457	100.0
93.07021	82.5
94.39853	2.6
95.04949	40.6
95.08585	48.9
97.02877	16.8
97.06516	6.6
97.10143	19.2
99.04443	3.6
103.05450	4.8
105.07016	87.6
107.04958	16.2
107.08578	49.2
109.06512	19.8
109.10122	36.7
111.08064	10.4
112.47359	2.5
113.76088	2.7
115.05519	3.7
117.07003	36.9
119.08557	55.7
119.69322	2.6
121.06477	15.0
121.09406	2.9
121.10123	28.4
121.67595	2.5
123.08040	14.9
123.11629	2.6
125.09630	9.6
128.06200	3.3
129.05429	3.4
129.06999	29.0
130.07805	3.4
131.08530	59.1
133.06447	4.4
133.10110	44.0
135.08040	10.2
135.11685	12.3
137.09653	3.7
141.07001	5.5
142.07765	4.4
143.08528	19.3
145.06506	4.7
145.10098	27.2
147.08035	6.1
147.11674	33.9
149.09631	11.4
149.13225	4.2
151.11183	3.1
155.08533	5.8
157.10109	22.9
159.08029	4.5
159.11665	30.5
161.09636	3.5
161.13210	6.4
163.11201	6.5
165.12750	3.3
167.08554	4.5
169.10083	6.3
171.11707	14.3
173.09543	4.7
173.11755	4.1
173.13235	10.5
175.11171	12.0
181.09979	4.2
183.11658	6.3
185.13170	4.7
187.11090	2.9
193.12228	16.2
195.11832	4.2
197.13217	4.8
199.11189	3.2
227.12775	11.2
229.14272	10.8
240.83986	3.4
241.19273	3.4
248.65889	2.9
257.18921	3.2
259.20511	11.4
267.15738	36.6
269.17459	5.1
275.19955	5.8
283.20670	2.9
291.52710	2.8
333.24405	3.3
349.23724	11.1
369.24017	3.2
387.25186	5.4
421.25803	5.5
433.30728	3.6
435.27155	3.8
443.27441	3.6
461.29105	29.0
493.32016	3.5
525.35748	26.6
526.63483	3.7
541.35089	18.7
543.29077	4.4
543.36743	67.3
559.36212	5.6
575.39099	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	968.5434
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	65.3
69.03409	11.6
69.07053	26.4
69.67216	1.4
71.04971	8.4
73.02938	2.3
79.05476	58.5
79.06498	1.4
81.03400	88.5
81.03877	3.0
81.07038	69.7
83.04966	12.1
83.08602	26.4
85.02896	9.3
85.06526	2.4
91.03939	2.1
91.05460	62.9
93.07016	58.5
95.04948	43.4
95.08585	25.2
97.02872	6.8
97.06515	15.9
97.10151	15.6
99.08099	2.3
100.04340	1.6
103.05326	1.8
105.04494	1.6
105.07018	45.5
107.04942	16.4
107.08585	31.6
109.06516	12.9
109.10135	19.8
111.04481	1.8
111.08057	11.6
115.05431	2.6
117.07002	19.2
119.04932	2.4
119.08561	37.4
121.06454	12.7
121.10127	23.8
123.08057	7.2
123.11652	1.7
125.09615	10.0
127.03891	2.6
128.06180	1.6
129.05487	2.3
129.06949	17.3
131.04883	1.8
131.08549	28.5
133.06464	3.6
133.10117	23.3
135.08011	6.2
135.11667	14.4
137.09599	6.5
141.06906	2.3
142.07785	3.1
143.08539	8.9
145.06491	6.1
145.10095	17.7
147.08018	9.5
147.11661	16.6
147.37302	1.5
149.09598	15.2
149.13217	9.4
154.80447	1.5
155.08542	2.6
157.06459	1.9
157.10086	14.6
159.08014	1.8
159.11649	11.3
161.09586	2.4
161.13254	1.7
163.11189	9.4
169.10059	6.3
171.08125	1.5
171.11623	2.5
173.09621	3.6
173.11797	2.4
173.13304	7.1
175.11185	9.6
177.12776	3.0
183.11670	3.8
185.13206	2.5
189.11189	2.5
193.12245	20.5
199.11176	1.7
199.13069	1.7
201.12787	1.8
203.14209	1.9
207.13750	1.7
227.12717	3.8
229.14319	2.8
249.14807	2.3
253.14403	1.9
255.15918	7.8
257.19040	2.0
267.15869	47.8
269.17371	13.9
273.18448	3.1
275.19955	14.9
285.16971	2.1
291.10178	1.6
291.19531	6.2
294.46307	2.0
301.16385	7.7
349.23666	11.6
351.23047	2.3
365.23190	1.7
367.24576	3.1
369.24158	1.7
386.89990	1.9
387.25424	2.1
421.26019	2.3
443.27783	5.5
447.27359	24.1
455.26202	3.2
459.27441	1.8
461.28897	100.0
479.29288	2.6
493.32047	10.9
523.34058	1.8
541.35199	44.7
558.34766	2.0
559.36182	20.7
575.35455	2.8
587.32190	2.3
596.18127	1.9
609.35675	2.8
632.47058	1.6
980.21820	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5048
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	100.0
69.03408	10.3
69.07063	17.5
71.04980	11.7
73.02886	3.8
76.30082	1.8
79.05477	56.0
79.66197	1.5
81.03398	82.2
81.07037	58.7
83.04961	31.4
83.08602	33.0
85.02894	56.2
85.06521	7.4
87.04451	2.1
91.03949	9.2
91.05460	69.3
93.07018	38.8
95.04946	41.9
95.08578	23.8
97.02866	15.1
97.06504	9.8
97.10154	20.9
99.04450	2.2
103.05402	2.6
105.07016	46.6
107.04964	16.9
107.08585	20.8
109.06521	6.8
109.10146	60.3
111.04425	4.1
111.08079	10.4
113.06010	3.2
114.37646	1.6
117.07007	10.4
119.08556	36.1
121.06484	3.1
121.10157	17.6
123.08015	3.2
125.09599	10.3
129.05466	3.0
129.06976	17.6
131.08525	19.1
133.06493	3.4
133.10103	17.5
135.11679	4.1
137.09613	3.9
137.40440	1.9
142.07768	3.1
145.04922	1.7
145.10133	10.2
147.07997	7.4
147.11655	21.6
149.09586	12.9
153.12685	1.9
157.10089	20.2
159.58989	1.8
162.50246	1.7
163.11163	8.6
165.12796	3.3
173.09589	2.1
173.11707	16.1
175.11186	19.1
193.12253	42.6
199.13202	2.3
209.11737	3.6
211.13260	72.5
227.12910	5.6
229.14307	31.4
267.15894	20.1
283.15262	8.9
285.16934	46.5
301.16519	11.1
399.23633	11.0
421.25604	9.6
439.26926	45.0
493.27643	7.1
511.28763	12.1
529.30341	2.5
609.36237	68.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	968.5032
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	96.5
69.03406	13.3
69.07044	31.0
71.01295	2.0
71.04983	10.0
73.02876	11.0
74.80146	2.7
79.05470	83.6
81.03393	90.1
81.07034	100.0
83.01292	3.5
83.04951	43.9
83.08597	45.7
85.02879	39.6
85.06527	3.0
87.04441	2.9
91.03913	4.5
91.04883	3.4
91.05454	86.4
92.08571	3.5
93.07017	67.8
95.04940	62.0
95.08577	35.4
97.02879	26.9
97.06499	17.0
97.10136	25.1
99.04430	2.8
105.07007	60.4
107.04919	26.2
107.08576	42.3
109.02829	3.8
109.06490	20.4
109.08270	2.0
109.10146	43.5
111.04415	13.5
111.08030	21.2
113.06001	4.6
114.33102	2.3
115.05431	3.4
116.04665	4.4
117.06969	19.9
119.04935	3.2
119.08549	59.6
121.06488	14.9
121.10084	22.3
123.04402	4.4
123.08044	20.5
123.11672	4.6
125.09576	18.0
127.03895	3.9
127.07567	2.4
128.06186	2.7
129.05458	20.8
129.06949	28.4
131.08519	29.2
133.06511	7.5
133.10100	27.8
135.04311	2.6
135.08037	11.9
135.11670	12.3
137.06026	2.1
137.09589	20.1
141.06990	2.5
142.07785	8.8
143.06940	4.4
143.08504	9.4
145.06427	3.4
145.10080	22.1
147.08017	10.9
147.11653	26.2
149.09590	23.4
151.11182	2.9
153.09029	4.3
153.12727	3.5
157.08575	13.7
157.10091	27.4
159.08037	3.4
159.11638	5.0
161.09615	10.9
163.11131	12.7
165.09087	5.5
165.12671	5.6
171.06454	2.4
171.11656	3.0
173.11684	5.6
173.13112	2.4
175.11166	20.1
177.12752	4.6
181.12164	2.7
189.11125	9.5
191.10577	3.1
193.12196	49.6
199.13351	2.8
211.13255	49.8
221.11592	3.2
227.12738	16.0
229.14316	16.2
246.11855	2.5
261.18265	2.7
267.15771	24.5
273.18417	17.0
275.19974	3.7
283.15274	4.2
285.16882	35.1
289.17773	3.1
291.19409	23.4
301.16409	10.2
307.18774	2.5
347.22287	2.9
365.23026	17.0
381.22510	3.4
399.23453	15.8
439.26807	66.0
461.28720	11.1
479.29855	14.0
523.28253	4.1
535.31958	2.5
541.34674	3.2
557.34351	28.7
559.35938	10.1
573.33551	4.3
575.35486	27.0
591.35034	28.1
609.36072	50.8
623.33960	10.2
880.79437	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	968.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05141	4.9
67.05490	100.0
69.03412	16.3
69.07046	30.8
71.01347	3.5
71.04971	4.1
71.91479	2.3
73.02899	13.5
79.05474	78.9
79.63919	3.0
81.03407	42.7
81.07037	88.4
83.04964	28.7
83.08586	27.0
85.02893	24.5
91.03935	6.6
91.05451	85.0
93.07027	66.1
95.04954	35.8
95.08572	42.0
96.82060	2.7
97.02859	21.9
97.06518	24.9
97.10134	14.0
98.07281	4.5
99.04452	4.0
105.07015	58.9
107.04945	19.0
107.08593	31.0
109.02814	4.8
109.06503	11.6
109.10132	39.8
111.08085	11.1
116.04705	6.1
117.06991	19.4
119.08572	36.4
121.06482	6.8
121.10117	18.3
123.08025	15.0
123.11695	2.9
125.09612	17.3
127.03893	4.0
128.06180	3.5
129.05440	28.1
129.06978	6.7
131.08546	22.0
133.06487	4.7
133.10109	36.4
135.08047	6.2
135.11662	15.1
135.14677	3.2
137.09619	5.3
142.07787	3.7
143.07066	5.1
145.10115	15.9
147.11655	12.3
149.09593	13.2
157.08565	17.0
157.10031	5.7
159.11714	5.5
161.11650	2.8
163.11211	5.9
173.11757	5.1
173.13216	4.3
175.11206	4.4
186.19247	2.8
189.11197	6.1
193.12198	10.5
199.13339	11.0
211.13136	3.9
223.13142	3.7
227.12730	6.6
229.14256	6.8
243.15868	4.0
255.15872	6.9
267.15787	13.8
275.20044	16.9
283.15430	3.5
285.16910	3.4
286.99643	3.0
291.19672	10.2
294.46042	3.0
299.15189	3.9
301.16348	38.3
327.46268	3.0
349.23660	13.9
396.43051	2.9
423.27188	6.3
455.26117	5.7
467.79147	3.5
469.28000	3.3
481.27615	3.9
541.34973	4.5
559.36017	6.5
575.35626	24.8
775.43762	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	967.559
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	4.3
69.03413	2.9
71.08617	2.3
73.02905	2.3
76.27805	1.0
79.05476	2.5
81.03413	1.8
81.07053	5.3
85.02915	6.3
91.03935	2.0
91.05473	1.3
95.04980	1.4
95.08633	1.7
97.02903	5.5
98.01712	1.1
101.02423	1.2
101.69933	1.1
105.07050	2.1
106.48602	1.1
107.08591	2.3
109.10146	1.7
117.99290	1.2
133.10152	1.4
267.39075	1.4
331.18677	1.3
405.13803	7.8
497.30881	6.9
549.27057	4.9
659.36554	5.7
711.32379	5.0
967.55847	100.0
968.56061	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	968.5044
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05138	3.4
67.05492	79.8
67.05853	2.8
69.03412	15.2
69.07060	21.7
69.21636	1.4
71.04969	11.1
73.02904	7.5
79.05473	71.4
81.03396	100.0
81.07031	72.9
83.04964	38.1
83.08604	35.6
85.02886	42.4
85.06506	2.6
87.04435	2.9
88.43821	1.8
91.03917	8.6
91.05460	71.5
93.07015	52.5
95.04945	58.4
95.08586	30.1
97.02883	19.7
97.06515	15.1
97.07076	1.4
97.10148	18.7
98.07301	1.9
99.04513	2.3
99.08053	2.0
103.05428	1.8
105.07004	45.8
106.07770	1.7
107.04935	19.5
107.08579	27.4
109.02866	2.7
109.06519	10.4
109.10130	32.0
111.04411	7.9
111.08064	16.1
113.06003	2.2
115.03873	1.8
115.05461	3.1
116.04705	3.9
117.05492	1.6
117.07005	14.1
119.08554	40.7
120.74452	1.7
121.06480	6.8
121.10114	19.7
122.57001	1.6
123.08058	7.8
123.11717	2.1
125.09609	17.2
127.03869	2.1
127.11106	2.0
129.05486	14.6
129.06958	24.0
131.08560	24.7
133.06432	2.2
133.10106	23.3
135.04390	1.9
135.08043	9.3
135.11676	8.8
137.09576	7.8
140.75063	1.8
142.07793	3.3
145.04959	2.6
145.06497	2.2
145.10095	7.8
147.08020	7.2
147.11658	24.3
149.09589	13.4
151.11142	1.7
153.12712	1.9
154.79784	1.7
157.08623	7.5
157.10107	22.1
158.05753	1.6
159.11633	3.6
163.06061	1.8
163.11134	12.9
165.12701	2.0
171.06480	2.7
171.10217	2.3
173.11697	3.1
175.11122	18.7
189.11214	3.5
191.10718	2.4
193.12222	54.8
199.09694	2.0
199.13271	11.5
209.11736	8.6
211.13248	55.4
213.75397	1.7
217.14291	2.1
227.12714	9.9
229.14304	9.8
247.13258	2.6
249.14870	2.2
255.15761	2.4
267.15845	33.6
283.01678	1.9
283.15298	18.4
285.16913	40.4
301.16388	18.4
359.03143	1.8
409.25699	8.2
421.25754	2.7
427.26880	13.9
439.26831	39.4
441.64777	2.2
459.27350	2.2
472.56610	1.9
475.26736	7.0
476.27548	3.4
477.28363	3.2
493.27737	17.4
494.28653	3.1
511.28995	42.2
541.34814	8.9
559.35498	2.9
764.90839	2.1
770.35217	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	966.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	89.7
69.03418	21.4
69.07049	32.6
71.05001	5.4
77.37942	5.3
77.46098	4.7
79.05471	88.3
81.03401	89.8
81.07036	100.0
83.04958	21.1
83.08609	19.4
85.02866	18.6
91.05456	68.2
92.08638	11.8
93.07026	80.3
95.04948	28.2
95.08571	63.8
97.02863	19.9
97.06498	9.5
97.10164	5.5
99.04439	8.4
105.07011	50.3
107.04944	10.0
107.08602	44.3
109.10139	26.1
111.08089	10.9
117.06980	26.3
117.40767	5.6
119.08506	40.7
121.10125	28.9
125.05951	5.6
125.09588	7.8
127.03919	10.5
129.06944	10.3
131.08553	34.0
132.61493	5.5
133.10115	8.7
135.11647	11.5
145.10092	26.6
147.08073	7.0
147.11668	21.0
149.05862	5.5
157.10066	11.2
163.11101	6.7
171.07925	5.7
173.04488	21.4
175.11105	5.7
227.12805	7.0
229.14314	6.3
267.15665	8.6
306.71124	5.6
335.25803	48.2
406.55908	5.9
424.31808	5.8
489.35379	77.6
543.36237	6.3
561.37939	42.2
632.70190	6.3
689.42084	32.7
705.41113	8.8
908.46613	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	967.5587
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.2
73.02940	2.7
77.25565	2.1
85.02898	4.6
91.03942	2.9
97.02893	3.8
106.51955	1.8
122.78175	2.1
131.09427	2.2
173.28171	2.1
219.89015	2.0
258.66168	1.9
355.87537	2.0
379.37686	2.1
497.31516	3.0
599.48743	2.3
651.31158	2.4
654.71875	2.3
709.73962	2.3
949.54767	9.0
967.55780	100.0
968.57770	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	967.5589
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	0.9
68.64884	0.7
69.03416	3.8
69.07066	1.3
73.02903	4.2
79.05482	1.3
81.03415	1.2
81.07018	2.1
83.08617	0.8
85.02888	5.6
87.06168	0.6
91.03941	1.2
91.05444	0.9
95.08614	1.2
97.02851	5.5
97.10169	1.2
101.02361	2.7
107.80634	0.6
127.03925	1.4
193.11775	0.7
223.13365	0.8
229.72655	0.8
243.08481	2.9
245.57126	0.7
287.69418	0.8
291.19641	3.0
298.64044	0.7
331.18723	0.8
347.09567	3.1
365.10797	2.8
405.13574	7.2
497.31018	6.4
549.26819	5.8
555.79883	0.8
659.36102	5.5
711.32275	5.2
805.50433	1.4
845.51141	0.9
967.55774	100.0
968.55389	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	964.6195
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05143	1.9
67.05492	56.1
67.05851	2.0
69.03413	10.2
69.06711	2.0
69.07050	30.6
71.01318	1.0
71.04967	5.7
71.08615	32.6
73.02901	3.9
75.22074	1.0
79.05475	45.7
79.96813	1.0
81.03395	15.4
81.07040	86.9
83.04963	11.4
83.08601	24.1
85.02885	18.0
85.06527	2.6
85.10163	21.3
89.06017	1.2
91.03933	6.3
91.05458	41.9
93.06428	1.2
93.07023	54.5
95.04962	11.6
95.08586	57.9
97.02884	10.9
97.06514	12.3
97.10153	9.9
97.22964	0.9
99.04419	2.1
99.08083	1.3
99.11694	1.3
103.07552	1.5
105.07006	32.4
107.04943	9.1
107.06369	1.0
107.08573	28.5
109.02844	1.5
109.06489	8.8
109.10151	20.3
111.08069	2.3
111.11694	1.4
117.06991	16.5
119.08560	26.5
121.06485	3.9
121.10125	15.3
123.08064	2.5
123.11684	6.8
125.09602	1.7
127.03880	6.9
129.06981	4.6
131.08545	20.2
133.06564	1.3
133.10115	20.7
135.08046	2.6
135.11682	12.2
137.13260	1.6
139.11122	1.1
143.08562	3.8
145.06485	1.2
145.10101	15.7
147.07944	1.3
147.11678	8.6
149.09624	11.1
149.13303	8.4
151.11151	1.4
155.08556	1.4
157.10110	2.6
159.11676	13.7
161.09593	1.2
161.13254	1.7
163.11122	6.0
169.10120	1.2
171.11690	2.1
173.04456	1.3
173.13206	5.8
177.12659	4.7
183.11638	1.3
185.13211	1.2
195.13768	5.3
199.14755	1.5
206.00267	1.3
227.12749	2.3
229.14348	1.3
239.17874	1.3
239.23640	2.2
247.20543	1.2
255.15813	11.8
257.18903	6.7
257.24701	2.4
269.17429	29.6
275.19998	22.5
293.21072	1.2
309.20309	1.3
313.27316	82.9
314.27576	1.7
331.22711	1.5
339.18192	1.3
349.23630	24.7
367.24747	2.6
413.21484	1.9
493.38779	21.5
507.40350	100.0
508.40674	1.8
547.43561	7.7
572.48157	1.2
587.46576	40.1
588.46497	1.4
605.47656	16.4
651.44141	1.2
749.51245	2.6
929.11847	1.3
973.49646	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.62
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05262	2.4
67.05496	36.7
67.93895	2.7
68.30434	3.6
69.03419	6.0
69.07053	16.6
71.08627	14.5
71.50253	2.8
71.75613	3.1
79.05485	43.2
81.03392	3.4
81.07029	30.6
83.08604	22.2
83.33155	3.0
85.02898	5.2
85.10165	5.5
91.05452	23.6
93.07042	24.5
95.08578	19.1
97.10152	49.5
105.06993	22.7
106.68111	3.1
107.08580	66.0
109.06517	5.8
109.10129	16.0
114.36693	3.5
117.06982	4.4
119.08549	14.6
120.96063	3.8
121.10170	6.3
125.09635	36.5
131.08565	7.7
133.10124	12.6
135.08051	3.8
138.13336	2.9
143.08447	3.5
145.10088	15.4
147.11681	4.8
149.09576	6.7
157.10144	3.1
159.11606	3.5
166.28511	3.4
189.11209	23.9
227.12717	63.5
257.18921	4.8
257.25003	4.9
275.20074	46.2
313.27368	78.2
331.22552	7.6
349.23737	54.7
483.36185	5.1
569.45776	5.1
587.46582	100.0
605.47791	4.9
787.61298	3.4
804.53967	3.8
927.80914	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	964.619
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	39.8
69.07056	19.8
71.08615	24.2
79.05486	34.7
81.03407	5.4
81.07036	100.0
83.08616	14.4
85.02895	8.6
85.06570	3.9
85.10170	15.7
91.03902	4.8
91.05470	30.7
92.09019	15.5
93.07031	21.2
95.08589	42.4
97.06487	4.4
97.10142	4.9
105.07030	20.8
107.04898	5.9
107.08555	16.2
109.06511	31.1
109.10146	20.1
119.08574	30.7
121.10135	16.1
123.07997	4.1
123.11658	7.2
131.08578	5.1
133.10120	14.9
137.09508	3.6
145.10106	7.1
147.11688	20.1
149.09587	6.4
159.11662	6.7
161.09505	3.7
161.13260	4.2
212.85492	5.1
275.19998	38.9
293.21097	15.2
313.27328	77.7
349.23697	25.8
367.24704	38.7
587.46533	90.3
605.38123	3.9
605.47687	85.0
830.73718	5.5
887.56854	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	964.6184
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	37.7
68.05823	2.6
69.06705	2.1
69.07042	15.4
71.08615	21.8
79.05470	26.6
81.03392	4.3
81.07040	44.7
83.04964	5.2
83.08598	25.9
85.02906	3.5
85.10152	10.4
85.22766	2.1
91.03918	3.6
91.05461	36.2
93.07018	31.4
95.04908	16.6
95.08590	42.1
97.02840	3.6
97.06523	4.5
97.10158	4.3
103.07539	2.2
105.07002	31.6
107.04897	3.9
107.08612	20.5
109.06535	4.0
109.10139	25.0
117.06992	10.2
119.08530	17.5
121.06440	3.6
121.10114	8.9
121.66306	2.2
123.08064	2.3
123.11671	4.7
129.06972	2.8
131.08527	14.3
133.10107	21.4
135.08020	5.0
135.11642	3.9
137.09561	2.9
143.08565	2.7
144.70258	2.1
145.10123	14.1
147.11671	10.1
149.09610	19.5
149.40173	2.1
151.11192	3.7
159.11679	4.1
161.13255	3.0
163.11154	15.8
165.12679	3.5
169.10077	3.3
170.66969	3.1
171.11530	2.2
175.11200	2.6
205.03188	2.6
210.69202	2.3
239.17952	4.6
253.14241	8.9
257.18860	4.9
275.20023	50.5
293.21124	3.6
313.27368	73.6
349.23642	34.5
366.23334	2.8
367.24680	30.2
390.64841	2.5
524.19904	2.9
587.46478	42.9
603.45959	5.1
604.46112	13.1
605.47571	100.0
606.47827	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	964.6193
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05141	1.2
67.05492	30.3
68.83091	0.5
69.03419	1.5
69.06712	0.9
69.07053	16.6
69.27641	0.6
71.04966	3.0
71.08612	21.8
71.94540	0.5
73.02901	0.9
79.05473	23.2
79.05896	1.3
80.28451	0.5
81.03401	4.8
81.07036	33.0
83.04964	8.2
83.08602	22.1
85.02894	8.9
85.06517	0.9
85.10166	12.8
89.06018	1.1
91.03934	3.4
91.05458	19.3
92.09213	4.3
93.07021	26.8
95.04943	47.7
95.08582	32.5
95.09197	1.0
97.02880	3.2
97.06502	6.4
97.10138	12.5
99.04434	4.3
105.07010	22.0
107.04933	9.5
107.08569	21.7
109.06514	4.8
109.10141	16.4
111.04430	6.7
111.08053	3.8
114.39699	0.8
117.07018	9.6
119.08543	18.1
121.06480	4.6
121.10130	12.7
123.08023	4.7
123.11656	4.4
125.09586	7.2
127.03911	0.7
129.06999	3.1
131.08546	13.1
133.10101	13.2
135.08025	4.6
135.11656	9.5
137.09604	1.1
139.11203	0.8
141.07014	0.8
141.80315	0.6
143.08534	2.5
145.06485	0.9
145.10098	17.5
147.08035	3.7
147.11633	6.0
149.09602	17.2
149.13264	2.6
151.11131	1.1
153.12585	0.9
155.08469	1.0
157.10138	1.0
159.11629	8.3
161.09586	1.0
161.13202	3.2
163.11140	24.4
165.12750	1.4
169.10136	1.0
171.11676	1.2
173.09634	0.7
173.11803	0.7
173.13240	3.2
175.11221	0.8
177.12695	3.6
183.11626	2.6
187.11205	2.8
189.11179	4.7
189.12700	1.2
191.10652	1.0
193.12308	0.7
197.13228	0.8
205.12215	4.1
223.13243	19.9
223.15306	1.0
229.19476	2.6
239.17892	2.9
239.23604	1.2
247.20424	1.0
255.15987	1.2
257.18945	4.9
257.24634	1.5
269.17398	2.5
275.19989	31.3
275.22928	1.4
293.21066	18.1
303.48053	0.6
313.27310	71.8
325.54758	0.7
349.23700	17.5
367.24692	41.8
493.38528	2.5
507.40433	6.7
580.08948	0.6
587.46594	24.9
590.72833	0.7
605.47650	100.0
606.47656	3.3
623.48529	5.5
725.60382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	964.4536
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	4.0
67.85480	0.3
68.99770	1.7
69.03417	0.6
69.07056	0.7
69.22058	0.3
70.35201	0.2
71.04973	0.5
72.41148	0.3
76.56761	0.3
77.26477	0.3
79.05482	3.5
80.90996	0.3
81.03406	5.7
81.07039	3.9
83.04964	2.3
83.08603	1.9
85.02908	2.8
86.09680	0.3
91.05460	5.1
93.03391	0.6
93.07023	2.7
95.04945	3.3
95.08591	1.8
97.02876	1.4
97.06521	0.4
97.10125	0.5
105.07030	2.6
107.04915	1.0
107.08571	1.1
109.06501	0.5
109.10127	0.5
111.00813	0.4
111.04433	6.7
111.08087	0.5
115.05423	0.5
117.07000	0.5
119.08571	2.3
121.02874	0.5
121.06516	0.4
121.10115	0.7
123.04421	2.4
127.03899	1.4
128.49094	0.3
129.06976	1.9
131.04901	0.5
131.08562	1.4
133.06480	0.6
133.10075	1.4
135.04382	1.0
137.05983	0.7
139.03889	100.0
140.04256	0.5
141.05417	0.4
141.06975	0.5
143.04939	0.3
145.06522	0.4
147.04396	0.6
147.07999	0.5
147.11703	1.5
149.05986	1.4
151.03893	4.9
153.05489	1.2
153.06941	0.6
155.08562	0.5
157.06482	0.5
157.10130	0.6
160.85635	0.3
161.05946	5.0
163.03879	21.6
163.07504	0.4
165.05417	0.7
169.06476	0.7
171.08087	0.3
173.05969	7.1
175.03915	0.7
175.07539	1.4
175.11179	1.4
177.05450	3.0
179.03323	1.4
181.04935	1.5
181.06462	1.4
185.05992	0.5
187.03839	1.2
187.07491	4.4
189.05447	2.0
193.12207	3.4
197.05949	1.4
198.06766	0.4
199.07538	3.6
201.05434	1.6
201.09158	1.4
203.06998	0.4
205.04973	5.0
210.06641	0.3
211.07433	3.1
211.13275	3.2
212.08305	0.5
213.05450	1.5
213.09073	2.0
214.68880	0.3
215.06978	1.4
223.07512	0.4
225.09079	1.3
227.07034	1.2
229.04832	0.5
237.09093	0.6
247.05908	1.3
251.10735	0.4
265.07101	0.5
267.16028	2.2
281.15359	0.6
283.08145	1.4
285.14319	0.3
285.16971	5.6
295.05988	1.3
299.16656	0.6
301.09106	4.0
305.08078	0.4
308.06860	0.5
309.07535	1.2
313.07083	1.8
315.15826	2.6
319.06131	0.4
321.07437	0.7
321.15115	0.4
322.08234	0.3
323.08615	0.3
325.14349	0.5
327.15747	2.2
331.16476	0.4
339.15894	2.3
389.19763	1.2
401.19885	0.5
421.16199	2.8
447.18015	3.3
465.18967	2.4
495.19672	0.6
521.21625	0.5
539.22009	0.9
551.30090	0.5
569.30530	1.3
581.30457	1.3
593.30786	1.3
599.32111	1.3
605.30939	0.7
609.31268	0.4
611.32050	2.4
623.31805	1.6
627.31561	0.7
629.33447	0.4
641.33148	0.5
687.30804	0.7
705.32751	2.2
713.32806	1.3
723.32983	1.3
731.34393	3.3
737.13330	0.4
749.35150	3.9
767.36151	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	964.4533
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	4.2
68.99773	1.5
69.03415	0.5
69.07036	0.9
71.04950	0.3
71.48830	0.2
73.24617	0.3
79.05467	3.3
81.03398	5.3
81.06577	0.3
81.07032	3.7
82.86530	0.2
83.04960	2.5
83.08617	1.9
85.02878	2.6
91.05455	4.6
93.03386	0.3
93.07003	2.1
95.04942	2.6
95.08591	2.0
97.02859	1.4
97.06517	0.6
97.10140	0.4
103.05439	0.3
105.07001	2.8
105.92234	0.3
107.04940	1.3
107.08572	0.6
109.06512	0.4
109.10136	0.5
111.04426	5.0
111.08067	0.4
115.05437	0.2
117.06957	0.5
119.08553	2.1
121.02889	0.5
121.06460	0.9
121.10103	1.1
123.04417	3.2
123.08089	0.4
127.03873	0.6
129.06981	1.6
131.04897	0.9
131.08540	1.6
133.10117	1.4
135.04413	0.5
136.70651	0.2
137.05969	0.5
137.09659	0.2
139.03882	100.0
140.04214	0.4
141.06970	0.4
143.04951	0.4
145.06427	0.3
147.04405	1.4
147.08060	0.3
147.11684	1.5
149.05963	1.4
149.09581	0.5
151.03867	3.6
153.05458	1.0
153.07001	0.6
155.08539	0.4
157.06462	1.0
157.10075	1.4
161.05943	3.1
163.03868	22.5
164.04250	0.4
165.05453	0.6
165.07024	0.3
167.08524	0.6
169.06381	0.4
173.05954	7.4
175.03815	0.3
175.07515	0.6
175.11133	1.4
177.05397	2.4
179.03403	1.3
181.04909	1.3
181.06429	1.2
181.16411	0.3
183.08073	0.4
185.06027	0.6
187.03824	0.4
187.07491	4.7
189.05460	1.3
189.09113	0.3
191.03371	0.4
191.06979	0.3
193.06435	0.3
193.12160	3.0
195.08032	0.6
197.05956	1.2
198.06679	0.3
199.07527	4.1
201.05452	2.0
201.09074	1.5
205.04942	3.3
209.05898	0.3
211.07516	2.2
211.13248	3.4
213.05513	2.1
213.09088	2.1
215.07014	1.1
217.04857	0.5
223.07530	1.3
225.09026	1.0
227.07030	1.5
227.10561	0.3
229.04968	0.5
229.12364	0.3
235.05862	0.6
237.09087	0.5
247.05917	0.5
251.10532	0.4
267.15994	1.9
269.15207	0.3
281.15350	0.3
283.08142	1.5
285.16956	5.2
295.05811	1.0
301.09128	4.0
301.14197	0.3
308.06689	0.4
309.07501	0.5
309.15005	0.4
311.16037	0.3
313.07004	0.6
315.15820	2.0
321.07385	1.1
325.14316	0.9
327.15820	2.2
335.09128	0.3
339.15839	2.1
357.16925	0.3
389.19510	1.0
413.19513	0.5
421.16339	2.8
426.53983	0.3
429.17181	0.4
447.17966	3.1
465.19089	1.9
495.20590	0.4
521.21747	0.5
539.22632	1.1
569.30627	0.5
575.30096	0.4
581.30817	1.3
585.30646	0.4
593.30853	1.3
599.32062	1.3
605.31061	1.0
609.30627	0.3
611.32373	2.4
623.31866	1.7
627.31458	0.5
629.32611	0.5
641.32672	0.4
687.30713	0.4
705.32489	1.6
712.99420	0.3
713.32697	0.6
723.33563	0.6
731.34265	2.1
749.34943	4.0
767.36328	2.1
772.30237	0.3
964.43182	0.3
986.56158	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6041
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05170	5.0
67.05490	47.3
68.49110	2.8
69.03422	3.2
69.07054	13.2
71.08626	12.6
74.79242	2.7
75.09628	3.0
75.48763	2.5
79.05463	31.6
81.03411	5.6
81.07040	46.9
83.04980	5.0
83.08603	14.6
85.02875	4.3
85.10189	5.1
91.05477	43.1
92.08788	13.8
93.07026	32.2
95.04950	5.4
95.08582	22.1
97.10144	2.6
103.65139	2.4
105.07002	40.0
105.07542	2.5
107.04955	6.6
107.08603	29.1
109.10133	43.9
110.67236	2.7
119.08601	12.1
121.06451	4.2
121.10180	4.5
123.08112	3.5
123.11693	5.5
131.08536	17.8
133.06512	3.5
133.10114	52.3
135.08084	4.1
135.11671	2.8
145.10129	4.6
151.11171	27.5
159.11679	3.3
161.09654	4.7
163.11186	3.8
171.11697	3.8
173.71539	2.6
191.30161	2.9
245.18997	3.2
245.42874	3.1
253.14301	60.4
265.66190	3.0
273.18478	17.3
291.19467	16.1
313.27362	39.3
347.22113	12.3
365.23056	24.0
509.38138	5.6
556.47437	3.4
585.43994	3.6
603.46027	100.0
621.47198	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	964.4514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05496	5.0
68.99777	0.8
69.03413	0.9
69.07055	1.0
79.05472	4.3
81.03389	5.9
81.07050	5.4
83.04976	3.4
83.08618	3.0
85.02888	4.4
91.05460	7.3
92.85389	0.5
93.03381	0.7
93.07021	3.6
95.04951	3.0
95.08592	1.4
97.02866	2.4
97.10174	0.8
105.07009	3.6
107.04952	1.1
107.08569	1.3
107.76954	0.6
109.06490	0.6
109.10172	0.8
111.04427	6.9
113.76971	0.6
115.05421	0.7
119.08537	2.4
121.02863	0.6
121.10065	1.0
123.04403	3.3
127.03954	0.8
129.06999	2.5
131.04893	0.6
131.08568	1.1
133.06517	1.0
133.10141	0.8
135.04414	2.2
135.84790	0.5
139.03877	100.0
141.06963	0.8
147.11661	2.4
149.06010	1.0
149.09610	1.0
151.03897	5.4
153.06914	1.0
157.06499	0.8
157.10138	0.7
161.05913	5.5
163.03856	27.4
165.06992	0.7
169.06493	0.8
173.05963	7.9
175.11182	1.1
177.05426	4.2
181.04938	2.7
181.06419	0.7
183.08105	0.6
185.05969	0.7
187.07472	5.3
189.05437	0.9
193.12164	5.5
195.08080	1.2
197.05972	2.4
199.07487	4.3
201.05522	1.3
201.09091	1.2
203.07048	0.7
205.04871	4.7
207.08055	0.8
209.05998	0.6
210.06560	0.7
211.07526	3.2
211.13315	3.4
213.05490	2.0
213.09053	3.2
215.07040	0.9
223.07481	0.9
225.09019	1.0
229.04967	1.2
237.09061	0.7
239.07013	0.9
267.15927	2.8
283.08105	1.0
285.10110	0.7
285.16937	7.7
295.05917	1.2
297.14896	0.6
299.16315	0.7
301.09082	4.4
305.35910	0.6
315.15945	2.8
327.15790	2.6
339.16010	2.4
389.19696	0.8
413.19458	0.8
421.16299	1.2
432.83459	0.6
447.18109	4.3
447.77731	0.6
465.18835	3.0
581.30762	1.4
593.31360	1.1
599.32123	1.3
605.31409	1.0
611.32037	2.5
623.31421	1.3
713.33051	0.9
731.33710	2.2
749.34961	3.9
767.36298	1.0
791.03546	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.6039
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05152	3.3
67.05492	25.3
69.03424	3.3
69.07053	30.4
71.08614	21.3
79.05471	29.2
81.03425	2.8
81.07043	46.9
83.08598	16.2
83.29062	2.2
85.02913	4.2
85.10168	13.9
91.05471	22.4
92.26684	2.4
93.07021	20.1
95.04953	14.6
95.08578	22.0
97.02839	4.7
97.06485	4.3
97.10143	13.4
105.07021	16.5
107.04963	4.8
107.08587	13.9
109.06524	21.9
109.10144	12.7
119.08532	6.2
119.15953	2.2
121.06506	4.6
121.10101	2.3
123.07987	4.1
125.09607	4.5
129.06976	4.1
131.08534	10.8
133.06514	3.3
133.10135	5.6
135.08066	2.8
143.08582	3.2
145.10133	6.1
147.08012	3.4
149.09523	3.4
159.11662	3.0
161.09631	4.1
163.04848	2.9
223.13261	15.2
232.30188	3.8
233.90891	3.0
249.14725	3.7
273.18491	16.8
291.19467	86.3
313.27316	60.9
347.22220	4.5
365.23175	44.8
585.44537	11.8
594.09430	3.1
603.46057	100.0
742.27197	2.9
769.29443	2.9
975.79962	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	962.6033
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05157	4.7
67.05489	21.0
69.03418	6.4
69.06712	1.1
69.07052	19.0
71.04967	1.1
71.08609	13.8
73.02861	0.9
79.05472	15.8
81.03386	4.6
81.06596	1.2
81.07039	21.4
81.29767	0.7
83.04951	1.1
83.08604	11.0
85.02882	4.2
85.10165	7.9
89.10747	0.7
89.86247	0.8
91.03928	1.3
91.05456	9.8
92.09148	5.4
93.07026	11.7
95.04961	5.6
95.08588	17.8
95.54150	0.7
97.02875	9.5
97.06500	1.6
97.10154	9.5
105.06986	7.6
107.04937	6.4
107.08579	9.1
109.06482	1.2
109.10140	10.5
111.08062	0.7
117.06991	4.7
119.08557	7.1
121.06488	2.9
121.10098	3.6
123.08027	1.7
125.09624	7.9
129.07001	3.6
131.08531	5.6
133.06444	1.2
133.10106	3.1
135.08104	1.0
135.11656	1.1
137.09589	1.3
143.08548	1.3
145.04935	0.8
145.06422	0.8
145.10052	4.1
147.08041	4.6
147.11707	1.1
149.09641	1.3
149.13223	1.0
155.70003	0.7
157.10078	1.5
159.11414	0.9
163.11171	1.3
165.09047	1.3
175.11148	0.8
177.12709	0.9
189.11118	1.3
205.12216	0.9
223.13246	16.1
227.12679	3.0
249.14857	2.9
257.24716	0.8
273.18341	8.8
291.19479	77.6
313.27280	48.3
347.22162	1.2
365.23148	45.3
505.38452	1.0
523.39661	3.9
524.39801	0.8
585.44843	1.7
603.46112	100.0
604.45898	3.2
747.50592	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.603
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05168	5.3
67.05482	39.4
69.03401	4.1
69.07056	13.8
71.04974	2.7
71.08611	13.0
73.02873	1.4
75.18883	1.1
79.05467	21.0
81.03400	4.1
81.07035	46.0
83.04964	8.0
83.08591	7.2
85.02884	6.3
85.06533	2.6
85.10157	7.1
87.53273	1.0
91.03921	2.0
91.05459	37.7
92.08752	2.5
92.09276	2.2
93.07021	27.6
95.04952	10.0
95.08582	20.4
97.02856	2.7
97.06521	1.8
97.10102	1.8
105.07014	34.8
105.97338	1.0
107.04925	6.1
107.08578	24.8
109.06495	6.9
109.10143	43.2
111.08038	1.8
117.06992	6.7
119.08544	5.7
121.06473	6.8
121.10118	4.7
123.08029	2.6
123.11674	7.2
125.09563	1.2
129.07014	1.0
131.08557	9.4
133.06450	2.1
133.10100	48.5
135.08073	2.6
135.11636	2.2
143.08540	2.2
145.10120	2.1
147.07962	2.5
147.11705	1.5
149.09618	2.1
151.11165	23.1
157.10071	2.0
159.07993	1.8
159.11707	1.3
161.09584	6.6
163.11153	1.1
169.12160	1.9
171.11598	1.4
177.09062	1.2
189.12675	1.8
204.43115	1.2
215.12733	1.4
245.18962	1.6
251.12871	1.3
253.14284	90.2
254.14597	1.2
257.24527	1.3
263.20047	1.6
273.18500	15.9
291.19464	18.6
309.20648	1.6
313.27304	38.6
329.20779	1.2
341.26776	1.8
347.22021	7.3
365.23035	25.4
507.36389	1.6
509.38281	12.3
585.44849	7.7
603.46075	100.0
604.45972	1.7
621.46704	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	961.5845
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03405	2.5
73.02888	1.8
73.09644	1.4
76.81609	1.6
79.05439	2.2
80.64254	1.6
81.07024	2.0
85.02915	7.7
93.07045	2.1
95.08572	2.4
97.02863	6.8
101.02395	1.7
121.10104	1.8
147.95151	1.9
278.65393	2.2
405.13492	5.7
489.68936	1.9
519.29175	7.8
521.30560	2.6
532.17505	1.9
542.35254	2.3
576.29688	2.0
681.34479	7.1
683.35345	2.5
707.63354	2.1
961.58319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	962.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	22.9
69.03394	2.3
69.07041	2.2
70.57006	2.0
71.04922	2.1
79.05468	19.4
81.03397	91.5
81.07044	20.9
83.04962	4.5
83.08601	25.7
85.06556	2.9
86.82747	2.5
91.05463	22.2
93.07036	13.7
93.28547	2.0
95.04945	27.0
95.08597	5.1
97.02884	2.7
97.10176	3.8
105.07043	20.4
107.04943	11.0
107.08579	11.9
109.06488	4.5
111.08044	4.3
117.06995	3.4
119.04961	2.3
119.08559	14.5
121.10131	4.2
123.04419	4.4
123.08082	3.1
125.09608	3.2
127.52916	2.0
129.07018	11.3
131.08560	9.6
133.10112	8.5
137.09589	3.0
145.06487	2.3
147.08003	3.8
147.11674	4.7
149.05931	3.7
149.09604	4.2
153.06918	2.5
157.06464	4.1
157.10133	11.4
159.11667	2.2
161.05954	8.8
163.03914	5.2
163.17677	2.2
165.06976	3.6
167.08507	3.2
169.06374	3.3
173.05946	21.8
175.03854	3.2
175.11177	13.4
177.05446	9.6
179.08521	2.3
181.06493	3.8
183.08081	3.4
185.06021	10.9
187.07529	10.7
189.05458	10.8
191.03389	2.5
193.04892	4.0
193.12177	30.0
195.08049	14.7
197.06009	13.0
197.09529	3.9
199.07521	15.2
201.05452	5.2
201.09122	19.9
203.06976	4.8
207.07980	4.9
209.05951	8.4
209.09564	2.8
210.06772	4.2
211.07523	27.2
211.13249	5.2
213.05437	27.7
213.09109	13.7
215.06940	3.6
217.04918	2.9
219.08070	4.0
221.04199	2.5
221.09698	4.1
223.07404	20.2
223.11464	2.6
225.05513	4.9
225.09097	10.2
226.06226	2.9
227.06979	19.2
229.05037	5.3
229.08539	3.2
231.06564	3.4
235.07544	4.0
237.05310	7.6
237.08966	5.3
239.06972	40.9
241.04987	2.8
241.08662	4.4
242.05606	4.0
243.06424	3.4
247.07555	2.6
251.06982	10.5
251.10591	3.3
251.14296	13.9
253.08649	4.0
255.06444	35.8
261.09192	3.0
265.04694	2.8
265.08722	8.2
267.06406	4.8
267.15878	100.0
269.07965	5.1
279.13757	9.2
283.05899	18.3
285.16968	9.5
293.15207	15.4
297.14758	9.0
303.13681	9.3
307.13351	3.5
315.15915	4.7
321.14697	32.5
325.14310	10.8
331.13074	3.4
332.97009	2.5
339.15811	38.7
349.14301	29.4
360.51157	2.4
367.15329	46.0
377.13925	10.7
385.16034	15.6
395.14792	14.1
403.17496	2.9
413.15549	7.7
423.17819	2.5
441.18826	10.8
459.20206	10.0
469.18604	3.0
487.19400	13.8
505.20438	31.6
523.21704	22.9
585.30737	2.8
633.30359	8.0
651.31647	7.9
669.32605	3.1
679.30951	9.4
697.32111	35.7
715.33136	69.8
729.32031	2.6
798.88336	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	956.6294
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	89.6
69.03423	1.4
69.07054	26.5
71.04972	1.8
71.08587	1.7
73.02885	6.6
79.05472	44.4
81.07035	100.0
83.08575	13.3
85.02894	24.9
85.06537	1.7
91.03942	15.2
91.05455	26.3
93.07019	62.8
93.98145	1.5
95.04956	3.2
95.08585	72.4
96.09447	1.4
97.02866	12.8
97.06524	2.7
97.10128	3.1
105.07021	24.0
107.08574	31.0
109.10133	24.8
111.08073	2.3
117.06985	7.8
119.08569	22.7
120.07905	1.4
121.10121	25.3
123.11698	11.0
127.03902	2.8
131.08527	14.0
133.10085	15.5
135.11664	15.6
143.32913	1.6
145.04901	2.8
145.10150	11.1
147.11659	9.1
149.13263	9.0
159.11646	9.0
161.13246	8.0
163.05997	2.8
163.14832	6.8
173.13260	5.9
175.14815	2.5
187.14786	2.8
187.86613	1.6
241.19409	1.5
243.21036	6.5
259.20477	3.3
261.22058	16.3
263.23645	2.7
317.24701	1.8
333.23914	2.5
335.25745	60.5
337.27319	63.6
339.28827	6.6
499.43393	1.7
523.44434	2.3
541.45392	2.5
597.48755	32.2
615.49695	60.2
616.49500	2.0
783.88684	1.5
987.02155	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	959.5685
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	3.8
69.03429	2.3
69.07043	0.5
71.01353	0.6
73.02911	2.8
79.05482	3.0
81.03406	0.5
81.07054	3.1
85.02891	5.4
85.99516	0.4
91.03918	3.6
91.05444	1.7
92.09346	0.4
93.07056	2.7
95.08613	2.8
97.02866	6.5
99.04465	0.5
101.02364	1.1
105.07009	0.9
107.08604	1.1
109.02950	0.7
109.06453	0.6
109.10178	0.7
111.38581	0.5
119.08575	0.5
127.03907	2.4
160.51328	0.5
185.04219	0.5
203.05345	0.6
215.49120	0.5
243.08426	1.9
320.92044	0.5
331.05499	0.4
335.26035	0.8
339.73370	0.5
347.09412	3.7
347.64145	0.5
363.08804	0.5
365.10806	0.8
405.13663	8.3
405.17850	0.5
519.29169	9.5
604.69556	0.5
659.59302	0.6
681.34430	8.9
797.50873	0.7
959.56824	100.0
960.57062	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	953.5799
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	0.9
69.03423	3.8
73.02914	5.5
75.87788	0.8
79.05505	1.4
81.03383	1.0
81.07050	1.7
85.02893	7.3
85.10183	1.1
91.03951	4.6
91.05475	1.9
93.07051	1.8
95.08587	1.6
97.02866	6.0
101.02351	1.4
105.07018	1.3
107.08575	1.1
127.03937	1.9
185.04332	1.1
243.08401	1.6
245.58334	0.8
247.69551	0.9
300.29388	1.0
301.08969	1.3
347.09515	4.7
405.13644	9.7
465.21024	1.2
497.30899	6.1
535.28400	6.4
659.36066	9.8
697.34741	6.4
771.74689	1.1
791.52838	1.8
953.57898	100.0
954.58490	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	954.526
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05145	3.9
67.05492	100.0
69.03403	9.5
69.07058	23.8
71.04974	15.7
73.02898	3.5
79.05476	56.4
81.03400	85.9
81.06607	3.7
81.07041	80.2
83.04974	28.3
83.08613	46.6
83.76617	2.4
85.02889	39.6
85.06521	2.8
91.03980	2.5
91.05448	59.6
93.07013	53.4
95.04951	40.1
95.08575	30.5
97.02877	11.8
97.06490	17.6
97.10144	13.4
103.05504	2.4
105.07008	60.3
107.04939	20.2
107.08577	41.9
109.06496	6.1
109.10141	52.5
111.04432	2.9
111.08067	18.0
113.06014	2.8
115.05397	3.6
117.06976	10.6
118.28079	2.2
119.08557	52.9
121.06511	3.1
121.10110	21.1
123.08068	4.3
123.11678	5.4
125.09612	10.3
127.03910	2.2
129.07019	17.2
131.08527	32.8
133.06473	3.2
133.10106	33.0
135.08015	3.3
135.11690	5.4
137.09503	2.8
143.08513	3.0
145.10112	10.7
147.11699	29.3
149.09590	19.3
149.13223	9.3
156.51807	2.4
157.10146	27.2
159.11662	11.8
163.11133	5.1
165.12730	3.5
173.11687	5.7
173.13185	5.2
175.11212	22.6
177.12859	2.8
193.12187	58.2
211.13245	48.3
227.12791	10.3
229.14272	19.6
261.57202	2.8
267.15848	31.1
269.17438	11.5
275.19980	24.0
285.16919	45.4
294.76868	2.4
349.23712	17.9
367.24670	3.1
421.25711	17.0
439.26791	71.1
461.28958	27.6
479.29926	62.9
541.35107	27.5
559.36090	69.4
577.37213	33.3
583.30676	4.0
605.33820	3.2
623.33966	10.5
887.24200	2.9
978.74969	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	954.6136
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	85.7
69.03422	5.1
69.07057	21.6
71.04964	3.1
73.02893	6.6
77.03924	0.5
79.05474	60.1
81.03408	1.4
81.07038	80.4
82.22807	0.6
83.04951	1.4
83.08599	9.5
85.02894	22.8
85.06546	1.2
91.03936	14.6
91.05457	37.0
92.08609	1.1
93.07025	66.7
95.04946	7.0
95.08584	64.0
97.02876	11.9
97.06513	3.5
97.10141	3.7
99.04401	0.8
99.08106	0.9
105.04492	0.8
105.07014	31.6
107.08578	37.0
109.06511	2.9
109.10142	29.5
109.10850	1.3
111.08096	0.9
117.06998	12.1
117.07747	0.9
119.08556	25.2
121.06523	0.7
121.10120	31.4
123.08022	1.2
123.11676	10.4
125.09651	0.7
127.03891	4.8
129.07011	3.0
131.08542	17.8
131.49828	0.6
133.10103	19.9
135.11679	18.9
137.09613	0.7
137.13232	3.2
138.78546	0.6
141.06975	0.9
143.08560	3.6
144.09261	0.7
145.04924	5.2
145.10092	13.1
147.11679	11.5
149.13235	12.2
155.08511	0.6
157.10109	2.9
159.11664	11.1
161.13232	8.3
163.05995	6.3
163.14777	4.7
171.11678	3.3
173.13202	10.3
175.14780	4.6
177.16383	1.3
179.51340	0.6
185.13225	3.4
187.14763	4.6
189.12729	0.7
189.16344	1.2
197.13307	0.7
197.90453	0.9
199.14824	2.6
201.16379	2.5
215.18008	0.7
216.89294	0.6
241.19531	4.4
243.20996	5.7
259.20596	6.5
261.22113	20.2
263.23553	2.5
277.21539	0.6
279.23199	0.7
315.23361	1.0
317.24762	3.4
333.24246	9.2
335.25742	100.0
336.26068	2.4
337.23520	1.1
337.27292	16.0
373.91003	0.7
453.55817	0.7
488.44626	0.7
497.30463	0.9
503.42685	1.0
521.43182	4.0
529.38501	0.9
595.47137	21.3
596.47742	0.9
613.48187	34.9
614.48505	0.9
665.84943	0.7
666.56866	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.547
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	61.7
69.03415	8.8
69.07056	18.1
71.04972	5.0
73.02896	1.9
75.77363	1.9
79.05474	71.6
81.03397	51.4
81.07037	67.3
83.04962	13.7
83.08588	21.3
85.02887	10.8
85.06509	3.2
91.03965	3.0
91.05458	66.5
93.07016	61.5
93.07557	2.7
94.77378	1.8
95.04951	33.7
95.08580	43.3
97.02879	5.2
97.06535	3.5
97.10160	15.1
105.07007	57.6
106.07354	1.9
107.04937	9.8
107.08585	35.0
109.06500	10.4
109.10144	20.1
111.08076	8.3
117.07012	18.8
119.08546	45.8
121.06473	9.7
121.10102	20.7
123.04416	2.0
123.07232	2.2
123.08061	9.2
123.11702	3.2
125.09608	8.8
127.03918	2.2
128.06238	3.2
129.07013	20.3
131.08519	27.0
133.10091	34.8
135.08060	3.2
135.11682	13.3
141.06993	3.7
142.07790	3.7
143.08545	15.8
145.06448	2.3
145.10118	25.5
147.08038	9.0
147.11694	29.8
149.09610	12.4
149.13268	4.0
151.11154	2.5
155.08635	3.3
157.10133	21.4
159.08022	2.1
159.11700	18.0
161.09590	2.8
161.13251	3.8
163.11185	8.9
165.12819	2.4
169.10121	9.8
171.11673	13.1
173.09607	2.6
173.13242	12.5
175.11116	4.5
177.12723	3.0
181.10188	1.9
183.11703	8.0
185.13194	4.9
193.12260	3.7
195.11682	3.7
197.13206	2.8
199.14856	3.6
207.11720	2.4
221.13185	2.7
227.12669	7.4
229.14325	3.6
239.90536	2.3
241.19495	4.7
259.20563	12.3
267.15799	12.6
275.19910	4.0
333.24371	4.7
409.66455	2.3
421.25790	5.0
433.31085	4.7
435.27002	2.7
440.21359	2.6
451.32150	5.0
507.34473	4.0
525.35596	45.5
543.36780	100.0
557.38129	8.9
561.35583	2.8
575.38983	11.7
651.39374	2.6
687.40491	4.7
793.50903	2.5
862.99890	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	952.5464
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	100.0
69.03401	3.7
69.07064	9.5
71.04974	10.8
73.02905	3.9
78.08302	1.9
79.05479	46.3
81.03403	9.4
81.07040	55.7
83.04945	4.7
83.08604	14.2
85.02879	12.5
87.04449	36.9
91.03378	2.1
91.03920	4.1
91.05457	31.8
92.08628	2.2
93.07028	44.9
95.04948	8.3
95.08593	32.1
97.02871	9.0
97.06484	2.5
97.10145	10.8
99.04444	14.0
105.07009	14.8
106.58741	2.3
107.04963	2.6
107.08578	24.8
109.06506	4.3
109.10137	48.3
111.36919	2.7
117.07043	7.4
119.08575	15.4
121.10137	14.4
125.09619	4.4
129.06984	2.9
131.08574	8.8
133.10133	8.7
135.11667	9.0
145.10123	10.5
147.11716	3.3
149.13193	2.4
153.12709	2.0
159.11707	3.7
161.13254	4.4
163.11101	2.7
173.11746	9.8
173.13170	3.3
199.13318	3.7
213.70468	2.6
227.12599	2.4
229.14320	17.9
249.42860	2.2
261.22147	11.1
267.16006	2.6
335.25726	37.3
363.25195	3.2
477.35645	9.2
489.35754	45.8
490.35577	2.5
543.36957	2.9
575.39349	3.8
914.74408	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	952.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05143	4.2
67.05486	100.0
69.03394	4.8
69.07051	13.6
71.04960	6.2
76.55760	2.4
77.32188	2.4
79.05470	40.4
81.03384	6.0
81.07028	52.0
83.04951	5.6
83.08589	11.6
85.02914	8.9
87.04437	47.8
91.03884	3.1
91.05437	26.5
93.07028	38.6
95.04941	5.6
95.08579	27.9
97.02885	3.5
97.10149	10.6
99.04423	5.8
105.07008	16.4
107.08562	23.7
109.06550	2.7
109.10134	67.9
119.08537	15.4
120.18524	2.5
121.10110	20.8
125.09581	6.6
129.06978	2.8
131.08522	6.3
133.10100	5.1
135.11658	5.7
139.39185	2.6
145.10098	4.0
149.13228	4.2
161.13197	4.3
173.11667	13.4
225.20137	3.2
229.14287	31.1
234.76131	2.7
261.22128	6.5
335.25729	37.8
477.36084	3.5
487.28058	3.1
489.35620	59.1
543.37061	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	952.5465
Annotation	Unknow
Peak:m/z	Relative Intensity
66.57444	3.1
67.05150	4.1
67.05491	100.0
67.30309	2.5
69.03404	5.4
69.07056	24.6
71.04953	15.3
73.02895	4.0
76.12984	2.6
79.05479	51.6
81.03380	13.3
81.07034	75.0
83.04961	5.6
83.08592	22.9
85.02889	7.1
87.04447	31.0
91.03915	5.7
91.05454	38.1
93.07018	58.4
95.04940	14.2
95.08575	41.5
97.02879	7.2
97.10149	18.4
99.04433	25.7
104.10708	14.4
105.07021	22.3
107.08566	30.7
109.06475	4.2
109.10144	47.4
111.04445	3.6
115.03925	3.8
117.07001	11.3
119.08595	22.4
121.10127	23.2
123.08028	3.0
123.11670	3.1
125.09595	6.4
131.08525	14.9
133.10110	3.9
135.11682	6.0
145.10085	13.7
148.43422	3.1
149.13217	5.2
159.11656	3.3
173.11682	13.4
184.07297	7.5
199.13292	4.0
227.12753	3.6
229.14282	17.8
254.61711	4.1
261.22162	6.2
267.16000	6.4
315.17886	3.6
335.25693	41.0
477.35599	18.2
489.35687	33.5
543.36591	3.8
561.37146	3.4
575.39099	6.4
592.96069	4.1
593.39935	6.2
732.78943	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	952.5105
Annotation	Unknow
Peak:m/z	Relative Intensity
67.01268	1.2
67.05492	54.0
69.03424	13.3
69.07050	22.9
71.04973	7.4
71.47775	1.2
73.02917	2.1
78.83177	1.4
79.05474	64.5
81.03400	71.8
81.07038	100.0
83.04971	31.4
83.08602	36.9
85.02888	37.2
85.06511	1.9
91.03923	6.2
91.05460	64.5
93.07019	47.0
95.04948	47.5
95.08590	25.2
97.02878	11.3
97.06529	11.5
97.10149	30.7
99.04413	2.0
103.05427	1.5
105.03395	1.4
105.07011	45.8
107.04935	23.4
107.08574	35.2
109.02866	2.4
109.06509	16.7
109.10130	13.7
111.04420	17.8
111.08089	19.9
113.05969	1.9
115.05467	5.3
117.06989	19.4
119.08555	46.0
121.06495	10.3
121.10121	20.9
123.04431	2.3
123.08054	30.1
125.09591	25.0
128.06227	1.8
129.06999	20.8
131.08542	28.0
133.06464	6.8
133.10095	23.2
134.23491	1.5
135.08008	12.9
135.11635	12.5
137.05879	1.4
137.09579	6.7
139.03883	1.5
141.06976	1.7
142.07780	2.4
143.08560	8.5
145.06506	1.9
145.10094	23.0
147.08028	20.0
147.11658	18.3
149.09590	13.3
153.09056	6.2
153.12715	6.8
155.08551	2.0
156.68373	1.4
157.10104	18.9
159.08093	2.4
159.11639	3.2
161.09590	13.7
163.11134	22.9
165.09106	3.3
165.12733	2.5
169.10126	2.1
171.11681	5.8
173.09610	6.0
175.11150	22.5
181.10234	1.6
181.12181	6.8
185.13232	2.6
187.11192	1.7
189.11195	11.7
191.10640	2.6
193.12224	44.4
205.12242	1.6
206.65764	1.5
211.13266	33.1
211.15218	1.9
227.12704	20.6
234.33470	1.4
245.19035	3.3
249.14685	1.7
255.17485	3.2
267.15872	20.1
273.18469	34.0
283.15292	5.1
285.16876	53.4
291.19470	54.4
309.20554	6.8
346.33017	1.3
347.22064	7.9
365.23175	33.4
383.24091	16.1
447.28787	1.7
455.26208	2.5
477.28003	1.6
483.31274	2.1
497.27719	2.2
497.34570	1.8
521.05341	1.9
539.33240	8.8
557.34735	50.1
575.35724	78.2
593.36700	53.5
666.33368	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	952.5095
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	100.0
69.03109	1.2
69.03417	16.8
69.07053	47.7
70.04195	1.3
71.01325	4.7
71.04963	10.8
71.98232	1.2
72.69562	1.1
73.02896	8.3
73.05072	1.0
73.06559	1.5
79.05472	92.0
81.03397	71.7
81.07039	97.4
81.07533	3.2
83.04523	1.8
83.04968	33.6
83.08607	30.7
85.02886	45.2
85.06520	7.4
87.04463	1.8
91.03941	9.4
91.05459	99.3
93.07021	77.1
95.04939	46.3
95.08005	2.3
95.08583	51.3
97.02866	18.2
97.06505	22.4
97.10137	13.8
98.07330	1.3
99.04417	6.4
99.08059	5.1
103.05392	1.4
105.04522	2.0
105.07011	71.2
107.04929	24.5
107.07867	2.2
107.08572	43.0
109.02846	4.7
109.06499	14.2
109.10143	29.3
111.04408	5.5
111.08072	17.0
113.05994	2.3
115.05462	1.9
116.04708	2.6
116.90018	1.4
117.06999	19.6
119.08549	54.2
119.15586	1.2
119.92677	1.1
121.06483	11.8
121.10112	19.0
123.04379	1.5
123.08035	13.4
123.11668	8.5
125.05970	2.0
125.09590	10.6
127.03920	2.0
129.05486	11.2
129.06973	25.8
131.08537	29.2
133.06442	6.7
133.09174	2.1
133.10101	42.0
135.08011	7.4
135.11656	14.7
137.09567	10.4
142.07739	7.0
143.06987	1.9
143.08525	6.1
144.73555	1.6
145.04993	2.3
145.06450	2.4
145.10117	19.1
147.08066	9.4
147.11653	27.0
149.09601	22.0
149.13206	7.9
151.11116	5.3
155.08507	2.3
157.08728	2.3
157.10097	21.3
159.11665	11.4
161.09627	2.5
161.13147	2.7
163.09938	1.1
163.11119	10.8
165.08975	1.5
165.12773	2.5
169.10025	1.9
171.10201	1.4
171.11661	4.8
173.04466	1.8
173.11710	5.8
173.13258	4.8
175.11139	14.5
177.12692	2.8
183.11621	1.5
185.13255	2.5
187.11125	1.7
189.04071	1.4
189.11183	2.2
193.12193	40.3
195.13770	1.6
209.11664	1.9
209.78670	1.2
211.11354	2.5
211.13243	47.6
223.13133	1.5
227.12701	3.0
229.14291	8.3
243.15822	2.2
247.20425	1.6
253.14362	1.7
255.15814	6.1
257.18906	4.6
267.15845	23.8
269.17343	10.8
273.18466	5.9
275.20041	15.6
283.15363	2.2
285.16934	34.8
291.19455	6.3
293.20987	1.4
301.16360	8.1
349.23624	16.7
365.23193	2.8
381.22388	1.6
421.25668	3.0
423.27252	7.7
439.26846	17.2
447.27289	2.9
453.28299	6.0
461.28790	1.6
465.28433	6.7
477.28046	5.8
479.30038	5.1
481.27664	2.0
495.29224	10.0
513.44031	1.4
541.35199	12.3
557.34698	8.9
559.36230	25.7
570.85846	1.4
572.62469	1.5
575.35791	11.1
577.36908	5.0
593.36572	1.9
888.65485	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	951.5643
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	0.8
69.03423	3.3
73.02908	4.4
81.03400	1.4
81.07051	3.2
85.02909	5.4
88.71660	0.7
91.03953	3.2
91.05492	1.3
93.07053	1.0
95.08620	1.6
97.02903	5.2
101.02381	1.2
105.07053	3.6
119.08554	2.9
127.03956	1.6
197.11795	0.7
198.00394	0.8
214.86876	0.9
243.08347	3.2
276.47263	0.8
315.19485	4.2
347.09567	1.7
363.09241	1.0
405.13571	6.4
497.30688	6.8
533.27057	9.5
659.35938	5.7
695.32715	6.6
789.50262	1.4
951.56287	100.0
952.57062	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	950.4944
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	96.4
67.29854	1.9
69.03410	24.3
69.07053	49.6
70.20796	1.9
71.01324	3.6
71.04965	8.8
73.02889	5.1
79.05469	83.1
81.03399	39.1
81.07034	100.0
83.01314	4.6
83.04958	27.3
83.08595	26.1
85.02888	26.5
85.06517	3.1
91.03912	9.0
91.05452	75.6
92.08807	2.0
93.07018	79.4
95.04944	42.3
95.08585	44.0
97.02858	21.5
97.06495	18.4
97.10144	21.7
99.04428	4.1
101.05932	2.4
105.04485	2.3
105.07011	61.3
107.04942	25.2
107.08570	45.1
109.06501	15.5
109.10140	31.1
111.04433	3.5
111.08060	8.2
115.05455	7.2
116.04678	11.0
117.06997	24.9
119.08550	41.3
121.06474	11.8
121.10122	20.7
123.08083	17.1
123.11652	4.0
125.05990	3.6
125.09595	16.5
127.03873	3.4
128.06174	3.0
129.05482	22.6
129.06953	15.1
130.07700	3.9
131.04785	2.1
131.08537	25.5
133.06461	3.6
133.10109	34.6
135.08058	16.0
135.11653	19.0
137.09566	12.7
143.07050	3.0
143.08511	10.5
145.10112	27.7
147.08017	9.9
147.11642	16.2
149.09566	12.3
151.11163	8.7
153.12714	2.2
157.08646	3.8
157.10056	9.9
159.11655	9.6
161.09560	8.7
163.11160	36.4
171.10136	3.0
173.09586	2.5
173.11691	3.4
173.13210	3.7
175.11099	4.9
189.11163	4.8
193.12151	2.8
199.13252	2.4
205.12294	2.8
209.11610	9.7
223.13182	19.3
227.12752	13.0
229.14301	2.3
230.71045	2.2
249.14903	2.5
253.14125	2.7
255.15796	4.5
267.16144	6.6
273.18433	16.3
275.19962	12.4
283.15341	55.7
291.19479	65.2
301.16388	30.8
347.21863	2.5
349.23666	22.0
365.23157	27.5
379.20999	2.4
437.25180	25.9
451.26675	10.1
461.28964	3.0
463.26636	9.5
477.28738	2.7
541.34601	2.3
557.34778	40.3
573.33954	15.4
575.35461	8.6
591.35040	51.8
772.09869	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	949.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	100.0
68.97513	1.9
69.03103	2.3
69.03401	18.8
69.07055	38.0
71.04997	6.3
73.02913	4.2
79.05483	81.0
81.03401	38.8
81.07041	98.2
83.04959	12.2
83.08593	25.6
85.02895	19.3
85.81538	2.3
91.03942	4.6
91.05466	82.6
92.08582	5.1
93.07032	76.0
95.04922	24.7
95.08586	56.4
97.02881	19.7
97.06523	13.9
97.10132	4.0
99.04440	5.2
99.08097	3.1
105.04503	2.3
105.07015	72.6
105.07665	4.6
107.04945	13.5
107.08565	44.3
107.31198	2.4
109.02875	3.8
109.06532	11.4
109.10156	35.7
111.08106	3.7
115.05428	3.0
117.07001	33.4
119.08572	62.1
121.10138	30.6
123.08059	3.1
123.11677	4.5
125.09614	4.0
127.03940	4.2
128.06180	4.3
129.06964	26.1
131.08551	44.5
132.14253	2.6
133.06483	3.5
133.10094	37.6
135.08061	5.1
135.11644	19.1
136.48961	2.7
137.09653	5.0
141.06966	5.0
142.07820	4.2
143.08572	33.7
145.10121	43.8
147.08072	3.0
147.11673	19.9
149.09592	10.1
149.13287	10.7
155.08536	21.7
157.10115	31.2
159.08043	4.5
159.11702	28.7
161.13228	13.4
165.06892	2.9
167.08524	5.9
169.10132	19.6
171.11694	22.3
173.04430	11.6
173.11783	3.1
173.13248	12.6
179.08560	3.2
181.10109	11.7
183.11644	17.6
185.13254	11.6
187.14865	2.8
189.11169	3.8
193.10103	4.0
195.11679	10.7
197.13214	15.4
199.14821	10.5
206.79991	2.6
207.11693	3.5
209.13213	5.0
211.14900	4.3
221.13191	4.5
221.78844	3.0
223.14883	3.9
227.12686	4.4
229.14381	10.7
235.14943	3.7
237.00392	2.4
237.16486	3.8
251.17775	2.9
257.03268	2.7
259.20581	13.8
261.21909	3.1
275.20010	10.7
333.24088	4.1
335.25711	12.9
336.26068	5.4
381.80029	2.6
489.35510	5.1
513.35742	5.6
515.38794	2.9
527.37091	32.4
545.38184	3.4
557.38281	3.4
603.04370	3.3
607.43512	48.5
620.26556	3.1
625.44550	44.4
635.39648	3.9
671.41022	5.6
689.41663	9.9
769.48041	12.1
891.62457	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	948.6248
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	52.3
68.85856	1.5
69.03408	3.2
69.07056	25.3
71.08617	35.7
73.02907	9.0
79.05046	3.7
79.05476	50.9
81.03381	2.1
81.07038	64.9
83.08600	19.2
85.02879	24.9
85.06534	3.1
85.10168	19.9
89.05960	2.1
91.03937	16.0
91.04890	3.3
91.05460	74.5
91.06007	3.5
93.07024	64.8
93.07572	3.7
95.04949	9.3
95.08589	64.5
97.02861	8.4
97.06504	2.9
97.10151	10.5
103.05433	2.2
105.07024	76.3
107.08585	30.6
109.06480	2.1
109.10135	25.8
111.08046	2.5
111.11731	1.9
117.06989	22.6
119.08563	66.1
121.10133	24.9
123.11694	8.1
127.03893	2.2
129.07008	15.2
131.08553	29.6
133.10107	58.6
135.11684	22.6
143.08539	13.2
145.10103	24.3
147.11668	52.6
149.13272	10.8
157.10095	11.7
159.11668	27.5
161.13275	25.2
163.06003	4.3
163.14798	2.3
171.11627	14.3
173.13237	10.3
175.14737	15.2
185.13171	13.8
187.14870	2.0
199.14702	3.5
213.16425	1.8
231.21053	7.4
239.23601	2.3
241.19484	28.9
259.20517	95.1
260.18210	2.0
260.20789	2.1
313.27307	92.2
333.24234	54.9
383.24075	2.0
403.24548	2.0
437.89117	1.8
498.45038	2.0
571.47076	22.7
589.48163	100.0
697.49786	3.4
715.50647	2.3
733.51550	4.0
742.46881	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	946.6455
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05505	81.5
69.07063	11.1
71.08619	39.2
73.02909	6.9
76.56366	7.0
79.05479	40.7
81.07040	82.9
83.08591	14.6
85.02878	29.2
85.10165	14.9
91.03948	7.1
91.05461	24.7
93.07022	40.1
95.08595	66.5
97.02886	11.7
97.10123	6.6
97.82117	5.6
102.17677	5.5
105.07021	12.3
107.08575	28.7
109.10141	24.8
121.10112	25.5
133.10184	6.9
135.11708	22.9
145.10080	9.4
149.13235	7.7
194.42433	6.1
261.22162	40.2
325.76547	5.8
327.28915	96.9
335.25784	100.0
451.96390	7.4
587.50458	44.4
605.50787	25.8
623.22498	7.2
695.29498	7.5
927.17975	9.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	948.515
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	100.0
69.03412	3.8
69.07055	29.0
71.04999	2.3
73.02898	4.5
75.80432	2.4
77.03917	3.7
78.98434	2.4
79.05476	98.9
81.03396	14.2
81.07040	87.0
83.04971	19.7
83.08614	11.4
85.02892	11.9
85.39992	3.1
85.83352	2.7
91.03954	2.9
91.05452	81.2
93.07022	80.9
95.04946	37.0
95.08583	41.5
97.02872	6.0
97.06522	15.3
97.10155	3.8
97.40262	2.9
105.07015	69.4
107.04925	18.3
107.08575	29.3
109.06515	6.1
109.10138	28.6
111.08086	4.6
117.07021	25.6
119.08549	45.3
121.06534	5.9
121.10121	6.5
123.08068	5.0
128.06201	3.3
129.06970	20.2
131.08557	19.2
133.10133	22.2
135.08037	4.7
135.11662	15.6
137.09644	3.1
143.08548	6.3
145.10143	23.4
147.08015	3.7
147.11679	34.9
149.09575	13.7
159.11644	3.4
161.09607	3.8
161.13280	6.6
163.11179	4.3
171.11641	21.9
173.13292	2.7
189.12839	3.8
207.13832	14.5
227.12752	3.9
275.19968	16.4
281.17401	37.4
291.19562	3.2
327.45230	3.3
349.23743	16.9
435.27359	36.9
449.28897	13.0
461.28769	14.8
477.28229	3.4
555.36877	37.1
571.36493	3.1
573.37549	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	942.5979
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	15.5
69.03397	1.3
69.07057	9.4
71.04967	1.3
71.08616	23.3
71.62206	0.9
76.28100	1.0
79.05479	11.7
81.03401	68.3
81.07040	20.6
83.04964	4.3
83.08600	18.9
85.02885	5.2
85.10155	16.1
91.03911	5.0
91.05464	12.2
92.09316	3.1
93.07022	9.2
95.04941	25.1
95.08585	23.6
97.02866	7.1
97.10151	10.3
105.07018	12.1
105.38874	1.0
107.04926	6.9
107.08563	1.9
109.06505	4.1
109.10136	10.3
111.08069	4.8
111.11768	1.3
119.08565	11.4
121.10108	6.0
123.04392	1.4
123.08055	1.7
123.11691	2.3
129.06984	9.2
131.08508	8.0
133.10059	2.3
142.07715	1.5
145.10081	2.0
147.08029	4.0
147.11664	8.1
149.09581	4.6
157.10077	10.1
163.06010	1.6
163.11099	1.8
175.11142	8.3
187.51308	1.0
193.12219	32.1
267.15869	94.1
267.26721	1.5
280.06427	1.0
285.27850	1.2
309.16943	1.2
341.30444	100.0
533.41919	85.3
551.42700	4.1
575.42987	8.5
629.43903	2.3
641.43579	2.0
659.45135	1.4
677.45496	1.4
753.40271	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	946.6085
Annotation	Unknow
Peak:m/z	Relative Intensity
66.14370	0.3
67.05138	0.7
67.05487	15.6
69.03410	0.4
69.03773	0.3
69.07051	13.0
71.04961	0.7
71.08614	7.4
79.05471	11.9
81.03386	2.5
81.07033	25.3
83.04955	2.4
83.08601	4.7
85.02876	0.8
85.06494	0.5
85.10147	5.3
91.03927	0.4
91.05457	21.8
92.09425	0.8
93.07018	13.0
95.01305	5.0
95.04957	3.8
95.08580	16.5
97.02876	1.3
97.06501	7.9
97.10135	2.7
103.05455	0.6
105.07007	34.1
107.04938	6.9
107.08580	6.4
109.06514	1.6
109.10136	4.7
111.08031	0.7
117.06981	6.4
119.08554	16.9
119.09393	0.7
121.06490	0.5
121.10126	2.8
123.04389	0.4
123.08033	1.3
123.11684	1.5
129.06990	1.2
131.08539	10.4
133.10098	18.1
135.08078	1.3
135.11662	2.9
141.06972	0.4
142.36018	0.4
143.08560	1.5
145.06471	0.7
145.10100	7.3
147.11681	6.0
149.09599	2.3
149.13293	0.8
151.11163	0.4
155.08490	0.4
157.10118	0.7
159.11664	5.0
161.13214	2.1
163.11153	1.3
165.09148	0.5
169.10077	0.8
171.11769	1.3
173.13260	1.5
177.12769	0.6
179.14259	5.4
187.11247	0.4
197.13254	0.7
205.12302	0.4
215.28409	0.4
219.17435	1.5
227.40666	0.4
229.19566	0.3
257.19000	2.2
257.24670	0.7
268.01819	0.4
275.19980	20.4
275.22888	0.7
286.60956	0.4
313.27289	20.9
342.80685	0.3
349.23691	13.0
349.27652	0.7
374.56000	0.4
587.46582	100.0
588.47223	2.5
605.47522	0.6
846.15460	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	941.5067
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05497	6.9
69.03419	4.4
69.07052	1.2
69.29537	1.1
73.02912	4.5
73.99584	1.1
79.05486	5.8
79.24645	1.1
79.90044	0.9
81.03396	2.6
81.07047	6.0
85.02878	8.5
91.03947	4.5
91.05473	5.1
93.07047	5.0
95.04955	1.7
95.08583	2.5
97.02892	7.5
101.02322	3.6
105.07059	3.9
107.08582	1.9
109.06572	1.1
109.10181	1.6
117.07012	1.2
119.08599	1.5
121.10143	1.2
122.64903	1.0
131.08563	1.6
133.10117	1.4
157.50038	1.2
163.19052	1.1
199.13086	1.0
243.08417	2.1
263.31119	1.1
283.15204	2.6
347.09528	1.9
405.13821	6.4
501.22885	2.3
519.29266	10.5
663.28717	4.1
681.34833	8.5
779.45331	1.6
912.51031	1.3
941.50549	100.0
942.51721	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	940.5834
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	29.2
69.03413	3.6
69.07055	38.5
71.08608	2.5
73.02938	2.0
79.05469	18.9
81.02934	4.2
81.03397	91.2
81.07034	33.6
83.08608	42.4
85.02902	8.5
91.03912	3.3
91.05460	15.8
93.07003	22.5
95.04955	30.5
95.08583	28.6
97.02863	4.7
97.06496	3.5
97.10136	16.6
99.08037	2.3
99.12018	2.0
105.07012	22.7
107.04918	2.9
107.08606	11.7
109.10159	11.2
111.08044	10.1
119.08571	16.2
121.06471	2.6
121.10146	15.7
124.50340	2.1
126.13784	1.9
126.44584	2.1
127.03867	1.9
129.06976	11.2
131.08548	9.0
133.06442	2.8
133.10081	4.9
135.11681	12.8
147.11665	11.0
149.09621	3.7
149.13205	2.8
157.10107	11.7
158.83536	2.0
163.11246	3.6
175.11168	13.1
193.12221	34.9
265.25281	2.9
267.15860	93.0
339.28897	94.9
480.73920	2.5
531.40338	100.0
532.40759	3.5
539.98816	2.0
549.41553	26.1
573.41473	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	940.5984
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	100.0
69.07043	18.3
79.05470	84.0
81.07034	96.5
83.08629	9.1
85.02901	19.3
91.03937	16.4
91.05465	33.4
92.08781	18.6
92.09280	11.4
93.07041	99.8
95.08568	62.1
97.02861	12.6
105.07019	40.1
107.08569	60.3
109.10146	30.5
119.08592	42.4
121.10126	40.4
121.62096	7.2
131.08574	14.4
133.10146	11.9
135.11668	9.9
145.10115	19.0
147.11696	14.7
149.13336	10.9
159.11700	9.5
163.14734	7.5
163.77931	8.1
194.86302	8.0
259.20456	9.8
321.24277	61.0
335.25702	80.0
377.18268	9.6
581.45538	37.1
599.46240	31.4
662.08093	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	938.5311
Annotation	Unknow
Peak:m/z	Relative Intensity
66.66964	2.6
67.05493	100.0
69.03394	4.2
69.07037	15.6
71.05004	2.6
71.68274	2.9
79.05122	3.1
79.05480	52.3
81.03409	11.3
81.07038	57.8
83.04975	4.5
83.08591	18.8
85.02903	20.6
86.14101	4.0
87.04438	3.6
91.05466	33.8
92.09354	6.1
93.07014	52.7
95.04924	4.7
95.08585	45.9
97.02881	6.8
97.06487	2.8
97.10178	21.4
105.07008	19.9
107.08573	30.2
109.10143	58.8
117.06975	6.4
119.08556	17.1
121.10101	20.1
123.11686	3.4
125.09605	16.2
131.08524	12.5
133.10121	5.7
135.11658	11.0
145.10126	11.5
147.11655	4.8
149.13199	4.8
159.11671	5.0
160.62993	3.5
161.13231	3.3
163.11125	5.9
173.13239	4.7
199.13249	4.2
229.14352	26.8
261.22165	3.7
301.16318	12.0
335.25919	38.4
335.33539	3.2
477.35541	7.2
489.35852	15.2
543.36353	11.5
561.37415	14.0
579.39301	5.4
623.81146	3.7
649.33020	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	937.5836
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05502	4.8
69.03415	2.6
69.07062	1.9
73.02902	1.9
79.05484	2.3
81.03428	2.2
81.07053	7.3
85.02895	4.7
91.03953	4.7
91.05432	2.0
93.07026	2.7
95.08597	4.8
97.02901	6.6
105.07034	4.6
107.08562	4.3
109.10184	1.5
119.08560	1.3
131.08644	1.4
133.10143	1.2
146.42281	1.0
241.06923	1.3
243.08350	1.8
275.20062	1.7
347.09451	1.8
400.92328	1.2
405.13660	8.1
497.30783	2.5
519.28961	4.2
550.79712	1.2
626.52533	1.1
659.35779	4.5
664.89105	1.2
681.34595	8.3
775.52875	4.0
937.58374	100.0
938.57391	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	937.5843
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05504	2.2
69.03423	4.3
71.48253	1.0
73.02916	5.8
79.05505	1.4
81.03426	1.1
81.07052	4.7
85.02913	4.7
91.03969	4.5
91.22192	0.9
93.07032	1.3
95.08626	1.9
97.02888	6.4
101.02440	1.6
105.06998	1.2
106.07431	1.1
107.08585	1.1
121.40157	1.0
127.03928	1.7
136.36301	1.0
147.45718	1.0
185.04181	1.6
243.08501	1.9
276.70361	1.2
345.08609	1.1
347.09482	1.8
365.10809	2.1
386.78217	1.1
402.19626	1.0
405.13812	7.6
418.55264	1.1
497.30920	2.5
519.29340	6.5
659.36334	5.5
681.34229	8.3
937.58392	100.0
938.59082	2.1
961.39825	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5517
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	3.7
67.05491	64.6
67.05851	2.2
69.03411	2.4
69.07053	17.9
71.04977	3.8
73.02891	3.9
79.05469	48.5
80.58004	0.8
81.03397	100.0
81.07035	64.4
82.50230	0.8
83.04952	7.1
83.08601	24.0
85.02870	10.5
85.06521	4.6
91.03926	6.6
91.05462	39.8
93.07020	58.8
95.04942	34.0
95.08583	45.4
97.02847	7.2
97.06511	6.0
97.10124	7.1
105.07012	31.1
107.04945	10.2
107.08575	28.6
109.06503	5.0
109.10137	24.1
111.08076	9.2
115.05418	2.1
117.06992	11.6
119.08561	31.7
121.06451	5.3
121.10127	25.6
123.04430	1.4
123.08060	4.0
123.11684	6.0
125.09589	4.8
127.03870	1.4
128.06230	1.1
128.31158	1.0
129.06982	16.0
131.08533	22.1
132.09236	0.9
133.06458	2.2
133.10114	16.8
135.08081	1.6
135.11641	14.4
137.09628	3.7
141.06903	1.3
142.07768	3.6
143.08556	4.8
145.04953	1.1
145.06505	1.1
145.10107	14.3
147.04364	1.5
147.08060	6.8
147.11678	16.1
149.09615	8.3
149.13223	9.0
155.08578	1.9
157.10135	12.6
159.11662	9.2
161.09598	1.3
161.13200	4.3
163.06006	2.3
163.11148	3.6
163.14760	2.3
165.12672	1.1
169.10094	1.4
171.11696	2.2
173.09634	1.7
173.13255	6.0
175.11162	10.8
175.14799	1.3
177.12755	1.7
185.13229	2.4
187.11121	1.1
187.14749	2.3
189.11215	1.3
193.12218	20.4
205.12242	1.0
211.13184	1.5
227.12712	6.4
235.13228	1.6
243.21065	4.5
259.13290	1.8
261.22122	13.6
267.15851	78.2
268.15884	1.1
299.23914	1.0
301.14240	1.4
301.25232	4.0
309.16803	3.7
317.24600	1.8
329.21185	1.0
335.25723	61.2
335.29773	2.1
421.25729	1.4
435.27155	2.3
435.32364	4.4
453.33517	5.9
471.34546	2.2
509.35965	1.8
527.37231	60.0
528.37158	1.8
545.38257	79.7
546.38123	1.4
569.38275	8.0
577.40436	1.7
587.39148	1.4
611.38904	1.4
623.38812	1.4
635.39099	2.1
653.40289	5.6
671.40997	2.0
739.73621	1.2
894.41803	1.2
957.02020	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.552
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03932	3.6
65.86257	0.9
67.05494	77.6
69.03427	4.7
69.07056	16.9
71.04971	5.2
73.02907	4.2
76.16168	0.9
79.05476	59.7
80.54189	1.0
81.03402	100.0
81.07041	76.2
81.07528	2.0
83.04967	8.8
83.08608	25.3
84.40850	1.0
85.02898	10.9
85.06520	4.3
91.03939	7.8
91.05466	49.2
92.08742	1.2
93.07024	61.6
94.07304	1.0
95.04953	39.5
95.08585	57.1
95.09200	1.8
97.02898	9.5
97.06506	4.5
97.10149	11.2
105.07015	37.1
107.04940	10.3
107.08581	33.3
109.02871	1.4
109.06498	5.7
109.10140	24.1
111.04457	1.7
111.08070	8.6
111.69033	1.0
115.05447	1.5
117.07018	13.0
119.08568	33.8
121.06499	5.9
121.10121	30.0
123.04458	1.7
123.08044	4.1
123.11670	9.3
125.09605	6.0
127.03873	1.6
129.07007	13.4
131.08539	30.1
133.06485	2.4
133.10112	16.2
135.08043	2.2
135.11681	18.1
137.09639	3.0
137.13237	1.6
142.07735	3.9
143.08470	4.0
145.04968	2.2
145.10109	15.4
147.04352	1.6
147.08034	5.3
147.11668	15.7
149.09613	7.5
149.13263	9.1
157.10071	13.1
159.11584	8.4
161.13257	7.3
163.11145	3.6
163.14810	2.3
169.10097	1.4
171.11636	4.2
173.09579	1.3
173.13261	5.8
175.11203	9.8
175.14810	3.8
185.13219	4.6
187.14755	4.3
189.11194	2.2
193.12199	22.5
201.16304	1.6
205.12189	1.3
205.49594	1.1
207.13766	1.3
227.12833	5.0
235.13191	1.5
243.21072	2.2
249.14809	1.8
261.22070	18.0
267.15866	69.1
267.20303	1.8
268.16193	1.2
273.14804	1.7
279.22931	1.3
301.25256	5.8
309.16803	2.0
317.24683	1.3
335.25766	73.6
350.40567	1.0
417.31097	1.2
421.25754	1.4
435.32285	4.5
453.33578	5.5
471.34665	2.2
475.30597	1.2
527.37231	67.2
528.37512	1.9
545.38281	72.7
546.38806	1.3
559.39880	1.5
569.38446	12.0
611.39209	2.1
635.38995	4.6
641.33954	1.1
653.39893	1.8
671.41107	2.2
705.80365	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5156
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.7
65.30376	0.9
67.05145	2.3
67.05495	64.5
69.03422	9.6
69.07050	20.3
71.04980	5.9
73.02911	8.5
73.03238	0.9
79.05476	83.5
80.06217	1.4
81.02931	1.5
81.03399	33.1
81.07040	67.2
82.04171	5.5
83.04967	18.5
83.08611	19.2
85.02888	27.5
85.06530	4.5
87.04458	1.3
91.03941	6.9
91.05462	100.0
93.07025	72.0
95.04948	33.0
95.08014	1.7
95.08589	36.1
97.02863	12.3
97.06517	12.2
97.10139	14.0
98.07274	5.0
99.04429	1.3
99.08054	2.0
101.06017	1.3
103.05427	2.2
105.04496	1.3
105.07015	84.0
107.04943	13.2
107.08582	40.1
109.02869	1.1
109.06521	9.4
109.10139	16.0
111.08070	7.3
115.05446	5.0
116.04706	10.2
117.06241	1.4
117.07006	26.8
119.08559	76.6
121.06483	6.5
121.10130	26.7
123.07998	7.9
123.11732	2.6
125.09604	10.9
128.06245	2.7
129.05469	26.2
129.06976	21.9
130.07751	1.8
131.04922	1.2
131.08548	43.9
133.06473	4.6
133.10110	46.6
135.08052	5.8
135.11664	16.0
137.09589	5.0
141.06953	2.3
142.07788	5.2
143.07022	6.4
143.08594	13.1
145.04939	1.9
145.10117	29.6
147.08051	5.1
147.11664	46.3
149.09608	10.3
149.13223	9.8
151.07439	1.1
155.08525	4.6
157.08588	12.5
157.10117	19.5
159.07983	1.2
159.11662	21.8
161.09592	2.4
161.13243	19.2
163.11156	9.5
163.14778	1.5
165.12892	1.6
169.10146	3.8
171.10121	5.7
171.11668	11.9
173.09567	1.2
173.11838	2.0
173.13231	9.9
175.11148	9.6
175.14792	6.9
179.14293	1.5
181.10098	1.4
183.11729	4.2
185.13254	7.8
187.14812	2.6
189.11128	4.0
189.12698	2.4
193.12201	15.6
195.11761	1.4
197.13235	2.8
199.13216	1.8
199.14822	4.3
201.12674	1.5
203.14328	1.8
209.13251	1.6
211.13271	16.8
213.16373	1.9
227.12772	8.1
229.14233	2.2
239.17912	1.9
241.19443	14.0
249.18434	1.5
257.18964	5.1
259.20502	43.7
267.15952	9.0
269.17432	6.3
275.20020	16.2
285.16852	20.2
293.20941	1.2
301.16403	35.9
313.21371	1.3
315.23035	2.0
333.24231	22.3
349.23645	7.6
387.25327	2.1
433.30554	1.8
439.26523	1.3
439.88086	1.4
444.15649	1.5
461.28751	4.5
479.29956	10.1
495.30792	1.4
525.35828	16.8
541.34973	7.9
543.36816	15.4
559.36127	19.0
577.37378	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	936.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	5.5
65.71421	3.2
67.05494	60.5
69.03423	4.2
69.07043	27.2
70.31342	3.3
74.07629	3.2
79.05482	60.7
79.87868	3.5
81.03405	66.7
81.07040	100.0
83.04948	16.7
83.08612	29.6
85.02901	27.9
85.06522	4.2
91.03942	7.0
91.05462	50.5
92.09232	4.6
93.07017	52.1
95.04952	38.1
95.08572	25.0
97.02862	9.6
97.06515	20.5
97.10143	6.6
105.07009	52.6
107.04937	21.6
107.08606	29.8
109.06518	24.7
109.10149	8.7
111.04444	4.6
111.08048	6.6
117.07008	16.1
119.08540	49.7
121.10117	21.3
123.08050	14.8
123.11692	5.0
125.09557	5.7
129.07001	19.2
131.08543	32.0
133.10083	29.6
135.08025	6.0
135.11681	22.0
143.08524	4.0
145.10089	17.3
145.94156	3.8
147.08054	3.9
147.11642	28.3
149.09595	9.1
157.10088	20.1
159.11710	6.2
163.11169	17.9
175.11201	7.3
183.11713	5.3
193.12248	25.7
199.04332	4.0
211.13275	26.7
227.12845	4.8
267.15854	27.9
275.20062	32.6
285.16870	41.9
291.19669	6.1
292.19513	6.1
293.21091	4.9
349.23856	29.0
367.24655	17.8
541.35175	53.8
559.36096	90.7
576.36139	7.2
577.37006	54.8
685.23132	4.9
869.39740	4.2
871.76666	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	936.5143
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.7
67.05488	68.0
68.05823	1.3
69.03411	7.8
69.07053	20.1
71.04961	6.1
73.02881	7.3
75.78876	0.7
75.79294	1.0
79.05471	75.5
80.05779	1.1
80.06236	0.8
81.03396	30.0
81.07035	64.1
82.03732	1.0
82.04179	3.6
82.07368	1.4
83.04956	18.4
83.08607	19.4
85.02885	23.5
85.06517	4.8
91.03969	6.6
91.05457	100.0
93.07017	73.4
94.07325	1.1
95.04952	23.5
95.08005	1.6
95.08585	37.0
97.02872	15.2
97.06504	9.9
97.10137	13.3
98.07277	4.2
99.04404	1.1
99.08082	2.0
103.05449	1.1
104.06232	0.9
105.04516	1.7
105.07011	92.8
106.07326	1.7
107.04946	11.4
107.08572	42.6
109.02847	1.1
109.06535	7.9
109.10135	20.0
110.10476	1.8
111.04411	2.0
111.08031	6.4
113.05990	1.2
115.05429	5.0
116.04676	6.5
116.06144	0.9
117.06995	28.0
119.08557	70.3
121.06500	6.2
121.10117	27.3
123.08016	7.0
123.11680	5.9
125.09597	9.4
127.03883	4.2
128.06163	2.0
129.05478	21.8
129.06950	20.6
130.07767	1.5
131.08533	43.3
133.06473	4.8
133.10101	54.5
135.08076	7.3
135.11685	16.6
137.09598	5.1
141.06955	1.6
142.07782	5.1
143.07022	4.2
143.08549	15.2
145.04903	2.0
145.06429	1.9
145.10101	23.8
147.08046	4.9
147.11664	44.6
149.09547	8.3
149.13210	7.6
151.11128	7.4
152.11507	1.4
155.08524	4.8
157.08580	9.8
157.10103	20.1
159.11647	19.8
161.09625	1.4
161.13213	20.9
163.05997	1.5
163.11150	7.6
165.12799	2.0
167.08543	1.3
169.10074	5.5
171.10228	2.0
171.11642	15.7
173.11771	1.5
173.13170	10.9
175.11073	8.0
175.14748	8.0
177.12761	1.3
181.10039	1.5
183.11700	3.6
185.09581	1.2
185.13206	13.5
187.11151	1.3
187.14809	1.7
189.11118	2.2
189.12723	1.2
193.12231	14.6
197.13220	3.6
199.13220	2.1
199.14828	5.1
203.14301	1.1
211.11281	1.6
211.13216	16.8
212.13548	1.8
213.16342	2.0
217.15894	1.2
227.12740	4.1
229.14311	1.5
231.21045	1.6
232.76160	0.9
239.17877	1.1
241.19434	12.0
249.18546	1.1
253.14246	7.6
254.14726	1.8
255.15154	1.2
257.18930	5.6
259.20477	43.0
267.15753	9.9
268.16171	1.2
269.17502	1.9
273.18369	1.5
275.15207	1.0
275.19998	12.9
283.15369	1.4
285.16882	14.5
291.19427	1.4
293.21106	3.8
301.16403	19.9
313.21484	3.9
315.23077	5.1
331.22708	1.6
333.24139	21.2
349.23633	5.3
365.22940	1.9
366.23465	1.7
421.25272	1.0
428.98151	1.0
439.26935	1.4
451.32065	1.4
461.28662	1.7
464.27490	1.1
465.27634	1.0
479.29749	7.8
482.27994	1.1
525.35602	11.7
541.34985	4.4
542.35974	1.2
543.36639	13.0
558.34363	3.2
559.36127	21.8
560.36102	1.1
576.35638	5.5
577.37073	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5152
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	2.8
67.05489	82.8
69.03088	1.7
69.03410	14.5
69.07050	33.8
71.04972	13.1
73.02888	5.5
73.06533	1.6
78.86465	1.1
79.05472	84.6
80.05771	1.1
81.03397	81.0
81.07034	100.0
83.04510	2.1
83.04961	29.0
83.08598	37.5
85.02888	48.9
85.06512	5.2
91.03923	7.4
91.05457	95.7
92.08665	1.3
93.07021	83.7
95.04398	2.1
95.04951	43.1
95.08584	36.8
97.02872	15.9
97.06512	22.8
97.10139	8.0
97.92603	1.2
99.04462	1.9
99.08060	2.1
103.05460	2.0
104.89472	1.2
105.07009	65.7
107.04946	19.0
107.08572	45.7
109.02853	2.5
109.06492	16.0
109.10139	11.5
111.04407	3.0
111.08064	19.1
113.06001	2.6
113.09621	1.8
115.05424	5.9
117.07001	21.2
119.08553	44.4
121.06475	7.9
121.10104	33.0
123.08077	9.2
123.11660	2.8
125.09585	6.3
127.03899	4.8
129.05486	1.2
129.06979	22.9
131.04837	1.8
131.08530	38.1
133.06459	6.5
133.10107	39.6
135.08037	5.4
135.11658	19.6
137.09601	6.1
141.06969	1.4
142.07777	5.0
143.08575	4.9
145.10109	19.7
147.08064	5.8
147.11661	29.5
149.09592	20.8
149.13226	12.0
155.08546	2.5
157.10086	21.3
159.11641	14.4
161.09622	2.0
161.13237	5.6
163.11192	12.2
165.12735	4.7
169.10197	4.9
171.11731	5.4
173.04395	2.7
173.13266	5.2
175.11188	17.3
177.12672	2.7
179.14330	2.2
181.32582	1.2
183.11668	3.0
185.13255	1.7
187.11130	1.5
189.06041	1.4
193.12202	43.1
195.13818	4.6
197.13176	1.6
211.13269	38.8
227.12692	5.5
239.17963	2.0
255.15721	10.6
257.18994	6.6
267.15872	27.7
269.17380	22.0
275.20026	24.2
285.16858	39.5
293.20944	2.1
349.23624	28.9
367.24597	2.3
413.21494	2.3
443.27792	6.1
447.27267	11.6
461.28964	37.1
465.28357	25.6
477.28488	1.8
479.29953	87.4
519.32605	1.5
541.35254	18.6
559.27502	1.8
559.36169	53.4
577.37317	14.6
609.32385	1.8
623.33588	8.0
885.36047	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	936.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	38.5
69.03413	10.1
69.07050	21.7
70.63937	1.5
71.04967	8.9
73.02895	2.0
79.05472	59.8
80.05814	1.7
81.03399	50.6
81.07038	57.7
82.07363	2.0
83.04974	16.2
83.08620	22.0
85.02888	25.0
91.05462	54.2
93.07021	37.4
95.04939	27.1
95.08582	22.2
97.02871	6.3
97.06496	11.5
97.10156	24.2
99.04434	1.7
99.26387	1.4
103.05444	1.7
105.07017	46.9
107.04953	14.7
107.08569	42.8
109.06493	12.9
109.10143	9.9
111.04421	3.3
111.08065	9.9
115.05447	1.9
117.06994	14.4
119.08559	36.3
121.06512	3.4
121.10126	12.9
123.08031	3.6
123.11697	1.7
125.09608	24.0
127.03875	2.1
129.06934	12.3
131.08548	21.0
133.06444	2.4
133.10095	20.3
135.08028	3.6
135.11646	3.0
137.09631	2.6
141.06955	1.7
142.07799	5.7
143.08603	2.7
145.10091	14.8
147.07993	3.2
147.11665	21.3
149.09605	19.2
149.13280	2.1
150.09889	1.7
155.08586	2.0
157.10071	17.6
159.11682	10.7
161.09596	1.9
161.13239	2.8
163.11118	11.6
165.12703	2.8
171.11688	2.4
173.13242	2.1
175.11165	12.0
179.14285	1.9
183.11642	2.2
185.13231	6.6
189.11197	12.0
193.12198	26.3
211.13246	20.5
213.19617	1.9
219.17435	1.5
227.12732	28.4
249.14731	1.6
257.18951	7.0
267.15768	11.1
269.17276	1.6
275.19965	24.3
285.16907	29.3
291.19501	6.7
349.23685	31.1
463.30450	1.9
471.54959	1.7
523.33765	1.9
541.35150	41.8
558.34479	2.6
559.36224	100.0
560.36505	6.3
577.37201	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	936.5157
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	1.3
67.05491	43.8
69.03425	7.4
69.06717	1.1
69.07056	18.3
71.04971	5.2
73.02897	1.6
79.05476	48.1
81.03401	58.8
81.07040	57.9
81.07528	1.5
83.04964	20.1
83.08604	43.3
85.02890	31.5
85.03362	1.6
85.06526	3.4
91.03934	4.7
91.05460	49.9
93.07018	41.5
95.04944	78.4
95.08581	24.2
97.02863	6.0
97.06504	10.7
97.10150	10.5
99.04434	6.0
99.08060	3.6
100.07724	0.9
105.07013	49.1
107.04942	17.1
107.08582	34.6
109.06511	10.7
109.10130	14.1
111.04421	9.5
111.08068	11.5
113.06006	1.3
115.05418	2.2
117.07001	11.6
119.08559	40.3
121.06465	6.4
121.10116	23.3
122.33115	0.9
123.08047	7.6
123.11678	2.2
125.05914	0.9
125.09599	9.2
127.03893	1.0
129.06984	14.6
131.08549	25.6
132.52698	0.9
133.06496	1.6
133.10101	25.7
135.08035	5.4
135.11691	10.2
137.09608	3.9
139.11194	1.8
140.18822	0.9
142.07738	1.5
143.08565	3.8
145.04933	1.3
145.10117	22.1
147.08038	7.1
147.11678	24.1
149.09595	33.2
151.11157	1.8
153.09093	1.3
153.12785	1.7
155.08527	1.4
157.10092	14.7
159.11678	9.4
161.09587	4.3
161.13307	1.3
163.05917	1.0
163.11143	31.3
165.12723	6.5
169.10098	3.8
171.11678	1.9
173.09566	1.3
173.13226	3.4
175.11162	12.4
175.14769	1.1
177.12749	5.8
178.24870	1.0
183.11591	1.0
183.83287	1.0
185.13167	1.2
187.11122	4.0
189.11205	4.6
189.12778	0.9
193.12215	37.6
197.13229	1.7
205.12187	4.1
211.13243	33.5
223.13260	27.5
227.12866	1.7
229.19530	1.1
239.18010	1.9
246.02269	1.0
247.20522	1.4
249.15178	1.1
257.18973	6.6
267.15884	24.1
269.17520	1.3
275.20023	41.2
275.22906	2.0
283.15311	1.2
285.16901	46.6
293.21045	25.1
349.23648	22.7
367.24744	39.1
402.81213	1.3
421.26074	1.4
461.28305	1.7
467.13461	2.0
479.29834	6.3
541.35168	19.5
559.36224	67.1
577.37250	100.0
578.36963	4.1
721.42023	1.2
784.34589	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.5363
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05151	2.8
67.05494	61.9
69.03428	3.1
69.07042	14.5
71.04989	5.3
76.89117	2.5
79.05479	45.3
81.03408	20.8
81.07043	59.4
82.99341	2.1
83.04957	13.7
83.08599	9.7
85.02891	14.1
85.06492	3.0
90.44733	2.3
91.05444	31.3
92.08563	4.7
93.07024	66.3
93.55367	2.0
95.04949	14.9
95.08586	42.4
97.02864	10.3
97.06512	12.6
97.10167	2.6
99.04440	3.1
105.06998	18.3
107.04950	12.3
107.08572	32.8
109.06488	8.7
109.10155	16.5
111.04428	20.1
111.08104	2.6
117.06976	20.0
119.08542	19.1
121.06489	4.4
121.10124	19.5
123.11675	2.3
125.05969	5.6
125.09576	2.8
128.06075	2.5
129.06940	2.7
131.08524	18.2
133.10132	9.4
135.08041	3.3
135.11674	16.6
137.09581	3.1
145.10132	25.1
153.12727	5.0
161.13176	2.5
163.11156	28.9
173.09596	4.4
181.12202	2.9
191.10710	3.6
209.11760	10.2
223.13229	11.8
241.14319	15.5
261.22147	5.0
265.14322	3.7
283.15436	9.7
315.18069	19.7
335.25775	49.2
397.02216	2.9
454.73212	2.6
525.35364	11.7
543.36707	60.5
575.39374	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4998
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	2.1
67.05492	71.7
69.03408	12.2
69.07056	20.6
70.02074	1.8
71.04977	8.9
73.02877	2.6
79.05475	49.9
81.03405	51.3
81.07040	92.2
83.04968	26.5
83.08601	20.1
85.02892	25.3
85.06525	5.4
85.49155	2.1
87.06519	2.2
91.03924	3.2
91.05463	93.7
93.07026	64.7
95.04945	40.1
95.08584	26.6
96.68232	2.4
97.02870	11.9
97.06563	15.2
97.10145	10.2
99.04443	2.2
105.07014	78.5
107.04966	15.1
107.08586	47.9
109.06507	16.5
109.10139	59.4
111.04385	4.0
111.08069	5.2
115.05431	2.4
117.06973	13.7
119.08576	42.6
121.06487	14.7
121.10109	14.4
122.29143	2.3
123.08047	8.5
123.11687	14.3
127.07462	3.3
129.06966	14.7
131.08553	24.9
133.06514	8.9
133.10109	92.0
135.08041	12.1
135.11681	3.5
137.09613	4.8
142.07758	3.0
145.10127	9.0
147.08025	7.9
147.11664	20.1
149.09615	14.4
151.11171	35.6
157.10091	14.7
161.09608	10.9
163.11147	3.7
165.09018	2.8
169.12289	4.1
171.11676	3.5
175.11168	16.6
177.09036	2.5
177.12756	2.7
193.12190	27.1
211.13216	29.4
232.03461	2.3
245.18880	3.7
251.12897	3.0
253.14294	100.0
261.82962	2.5
267.15842	9.6
273.18335	21.2
275.19922	2.6
283.15433	3.0
285.16910	24.6
291.19498	26.1
291.22672	2.7
325.34286	2.5
347.22015	4.2
360.95108	2.4
365.23111	25.0
398.29318	2.8
445.25699	4.7
457.69144	2.4
458.45450	2.3
463.26553	20.7
481.27704	10.0
539.33331	9.3
554.07025	2.7
557.34637	41.0
575.35785	94.6
576.36249	3.5
851.55121	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	934.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	46.7
69.07059	23.3
71.04965	4.5
72.69479	2.4
79.05482	48.1
81.03393	15.5
81.07037	59.6
83.04953	17.9
83.08618	6.1
85.02886	5.0
91.05456	58.2
92.09416	5.7
93.07030	34.8
95.01310	4.5
95.04943	19.2
95.08597	32.4
97.02849	5.5
97.06509	21.7
97.10136	4.8
105.07020	74.6
107.03811	3.0
107.04929	21.5
107.08580	18.6
109.06522	5.9
109.10141	6.9
116.04694	5.1
117.06971	12.8
119.08553	25.6
121.06458	3.6
121.10130	16.7
123.08052	3.1
125.09594	6.1
129.05493	22.1
129.06960	3.8
131.08545	20.9
133.10098	42.8
135.11691	6.8
137.09619	3.9
143.07072	3.4
143.08443	4.1
145.10068	19.8
147.07976	3.7
147.11656	20.3
149.09578	5.5
151.11107	3.4
157.08553	11.1
159.11696	11.1
163.11159	6.2
165.08977	3.0
171.11658	4.3
177.12802	3.2
179.14299	11.8
189.11261	4.6
227.12840	4.2
267.16122	3.5
275.20053	36.7
293.20969	2.6
301.16315	46.1
349.23788	16.5
473.32678	3.5
501.72308	3.3
502.19727	3.0
557.34875	12.3
575.35626	100.0
737.09119	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	934.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.2
67.05145	2.3
67.05489	51.3
67.05847	2.2
69.03413	17.2
69.06711	1.7
69.07054	32.9
71.04967	6.1
73.02885	5.0
78.85369	1.1
79.05470	52.1
81.02932	2.3
81.03396	54.7
81.07034	62.5
83.04971	20.5
83.08602	27.0
85.02885	36.3
85.06533	2.1
91.03921	7.7
91.05454	59.9
93.07019	44.1
95.04937	37.2
95.08012	1.3
95.08577	23.6
97.02866	22.5
97.06482	7.8
97.10143	19.4
98.06011	1.1
99.04426	2.1
99.08041	1.3
105.07009	44.8
107.04944	18.6
107.08565	27.9
109.02895	1.1
109.06511	11.0
109.10135	16.3
111.04420	2.4
111.08057	10.5
113.05963	1.6
115.05545	1.1
117.07000	13.6
119.04880	1.6
119.08549	33.9
121.06478	6.7
121.10118	16.7
123.08042	6.5
123.11674	4.5
125.05955	1.2
125.09567	10.5
127.03946	1.5
128.06143	1.3
129.06987	15.1
131.08539	24.0
133.06424	9.5
133.10104	27.8
134.07172	1.3
135.07976	9.2
135.11629	6.4
137.09607	4.8
141.06946	1.4
142.07751	5.9
143.08528	5.6
143.40881	1.1
145.10109	15.7
147.08018	13.1
147.11656	19.8
147.41397	1.4
149.09628	10.2
149.13228	2.2
151.11148	7.6
157.10101	17.1
159.11688	2.7
161.09586	4.7
163.11127	8.3
165.09052	1.8
165.12657	4.4
171.10114	1.4
171.11598	2.5
173.13255	1.1
175.11156	13.6
177.12737	1.4
189.11142	4.7
193.12199	33.1
195.13792	1.4
205.12288	2.0
211.13257	33.5
215.12556	1.2
223.13249	19.1
227.12698	2.4
245.19058	1.2
249.14784	6.2
253.14246	7.9
267.15836	28.4
273.18427	13.5
275.20023	4.7
283.15381	7.2
285.16879	37.4
291.19473	100.0
312.08325	1.2
347.22134	2.5
349.23694	2.3
365.23184	43.5
369.04724	1.1
459.27158	1.9
463.26831	2.2
477.28604	11.3
539.33142	5.6
557.34650	64.5
575.35645	87.3
576.35864	1.9
615.89465	1.4
616.00977	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	934.4992
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	6.2
67.05496	76.4
69.03412	20.0
69.07055	28.4
71.04995	8.4
73.02908	5.4
79.05472	94.1
79.19594	3.6
81.03416	25.5
81.07037	100.0
83.01319	7.9
83.04961	26.8
83.08599	17.0
85.02888	49.1
86.13093	4.6
90.21665	4.4
91.03935	4.9
91.05466	83.0
93.07036	96.2
95.04946	34.9
95.08591	46.6
97.02878	31.7
97.06538	9.1
97.10160	8.3
99.04462	5.0
103.05481	4.8
105.07010	80.6
107.04930	20.7
107.08570	46.2
109.02895	4.4
109.06505	5.9
109.10146	24.4
109.80560	4.8
111.08067	6.5
114.90479	3.9
117.07018	42.8
119.08553	63.9
121.06490	9.4
121.10107	26.8
123.08040	4.2
127.03925	7.5
129.06990	20.7
131.08524	39.8
133.10124	51.4
135.11687	25.2
143.08539	8.5
145.06483	4.3
145.10080	33.9
147.08035	4.0
147.11699	34.0
149.09671	10.2
149.13148	6.0
157.10069	5.6
159.11699	22.4
161.13255	16.2
163.11174	37.7
167.49884	4.0
171.11702	7.0
173.09595	6.2
173.13306	9.5
185.13261	8.9
209.11716	4.1
227.12706	6.5
249.59251	5.1
259.20602	34.3
268.67639	4.2
269.17462	18.6
275.20081	7.3
283.15350	71.5
304.41992	4.4
333.24228	20.5
477.28381	51.7
541.35040	56.0
557.34644	8.8
559.35437	4.8
575.35681	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	933.5561
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	20.9
69.03413	13.5
69.07052	9.7
71.01349	1.3
71.04980	1.5
73.02921	9.2
79.05476	17.0
81.03398	5.4
81.07041	18.8
81.82752	1.3
82.92267	1.2
83.08597	5.5
83.32204	1.1
85.02894	20.4
91.03932	6.4
91.05446	16.7
93.07014	17.2
95.04968	4.6
95.08595	14.5
95.42121	1.1
97.02863	19.4
97.06534	1.9
97.10146	1.6
99.04448	1.8
99.95502	1.0
101.02354	2.4
104.56324	1.2
105.07011	17.2
107.08571	9.2
109.06451	1.5
109.10141	7.1
114.74731	1.2
117.07040	9.8
119.08552	11.2
121.10120	2.2
123.08047	1.3
123.11745	1.3
127.03917	1.6
128.06158	1.7
129.06935	8.9
131.08554	12.6
133.10123	8.0
135.11703	2.3
141.06961	4.9
143.08556	10.7
145.04979	1.7
145.10121	11.6
147.11671	2.7
155.08553	11.9
157.10086	12.6
159.11667	6.2
161.13203	1.4
163.11116	1.4
166.07780	1.3
167.08560	5.5
169.08830	1.6
169.10069	13.8
171.11641	12.5
173.13289	4.5
179.08542	1.9
181.10086	6.9
183.11671	11.4
185.13242	5.5
193.10083	2.6
195.11600	9.4
197.13225	8.9
199.14767	2.3
201.16328	1.4
207.11623	2.3
209.13211	7.7
211.14781	4.5
213.16351	1.3
221.13148	2.6
223.14754	4.3
225.16263	2.3
231.11620	1.4
233.13116	1.5
235.14687	1.4
237.16237	2.3
239.17838	1.5
249.16437	1.7
289.64850	1.3
301.21240	1.2
321.22058	1.4
341.24164	1.3
363.73288	1.2
396.00781	1.4
423.32559	1.6
517.40277	1.7
591.43512	6.7
607.43402	2.0
609.45093	100.0
621.44812	2.3
699.45300	1.9
753.48108	1.7
771.50806	21.3
808.86340	1.4
933.53015	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	932.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05138	2.8
67.05492	80.6
69.03403	4.0
69.07052	28.0
71.04971	6.2
73.02888	1.8
73.06550	2.0
73.85301	1.5
79.05473	99.3
81.03391	17.4
81.07036	85.1
83.04960	22.4
83.08603	12.5
85.02890	8.7
85.06528	2.3
91.03936	3.3
91.05459	78.4
91.40134	1.7
92.08562	3.5
93.07018	93.0
95.04946	25.4
95.08578	39.2
97.02872	4.0
97.06494	16.7
97.10124	3.4
103.05413	1.8
105.06365	2.7
105.07014	59.7
107.04938	14.9
107.08572	40.1
109.02895	1.8
109.06490	9.5
109.10126	14.2
111.08103	2.4
113.09646	2.5
117.07008	25.2
119.08543	41.6
121.06482	6.6
121.10108	14.2
123.08014	6.4
123.11680	2.6
125.09612	2.5
128.06174	2.4
129.06966	21.4
131.08546	17.3
133.06503	2.0
133.10100	22.8
135.08044	3.7
135.11673	12.2
137.09610	2.4
143.08557	12.6
145.10118	25.3
147.08002	3.2
147.11661	37.0
149.09572	9.9
149.13310	5.9
151.11150	3.5
157.10109	2.5
159.11661	11.3
161.09570	3.2
161.13235	9.8
163.11131	10.6
164.14622	1.7
169.09943	2.3
171.11629	23.8
173.13216	2.8
183.11661	2.1
189.12663	8.1
207.11974	2.2
207.13657	12.0
227.12708	3.8
239.17760	2.0
247.20631	3.2
255.15662	2.4
257.18927	2.1
269.17358	10.2
275.20016	13.7
281.17426	46.9
349.23660	12.7
451.27094	2.5
461.28894	21.9
473.21442	2.2
475.30472	100.0
480.57755	1.8
555.36768	47.4
573.36603	8.1
619.34991	3.9
765.98163	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	932.469
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	4.7
67.05490	95.5
68.06272	0.8
69.03412	32.2
69.07053	17.0
71.01334	5.4
71.04970	15.9
73.02895	14.4
74.46120	0.7
79.05472	71.0
80.06255	4.1
81.03395	100.0
81.07034	56.2
82.03764	1.1
82.04173	8.2
82.07811	0.9
83.01327	2.1
83.04967	35.8
83.08599	30.3
84.02106	2.0
84.05737	4.3
85.02885	25.0
85.06528	5.2
87.04443	1.1
87.07246	0.8
91.03931	1.8
91.04886	2.1
91.05455	55.7
93.07020	46.8
94.04156	4.5
94.07809	1.9
95.04945	45.3
95.08583	26.6
96.05710	1.0
97.02865	34.9
97.06512	19.8
97.10142	41.1
98.03651	20.0
98.07285	9.2
99.04417	9.8
99.08062	1.6
101.05933	1.6
103.03909	0.9
103.05494	2.2
104.87999	0.9
105.04555	1.4
105.07008	25.6
106.07780	1.0
107.04932	24.5
107.05610	1.2
107.08575	35.1
108.05740	1.2
109.02850	13.0
109.06496	10.7
109.10140	49.8
110.07299	10.7
111.04420	13.0
111.08054	9.9
113.05984	6.1
115.03936	1.5
115.05422	3.5
116.04685	14.5
117.05559	0.9
117.06981	17.3
119.04895	0.9
119.08547	25.6
120.09341	1.3
121.02870	1.0
121.06454	8.6
121.10105	18.9
123.04417	7.2
123.08047	16.2
123.11669	1.6
125.05968	4.7
125.09596	40.4
127.03880	13.1
127.11148	1.5
129.05453	41.1
129.06914	10.9
130.07770	1.3
131.04910	3.5
131.08548	16.0
133.06471	4.4
133.10085	12.7
135.04376	3.3
135.07980	8.3
135.11687	12.1
136.08827	1.5
137.05907	2.1
137.09575	7.7
141.09094	1.0
142.07794	1.1
143.06982	9.0
143.08528	2.0
143.10669	1.5
145.04886	1.1
145.06479	4.1
145.10101	16.6
146.07251	1.0
147.04404	1.6
147.08080	6.5
147.11668	14.4
149.09586	8.7
150.10356	1.5
151.11188	1.6
153.09082	16.0
153.12704	7.9
155.08521	3.4
155.10651	4.0
157.05002	1.0
157.06509	1.0
157.08577	18.8
157.10077	8.2
158.05684	1.5
161.06079	1.2
161.09575	1.7
163.03885	1.3
163.11140	22.5
165.12755	4.3
171.06500	3.8
171.07939	1.2
171.10112	9.1
173.04439	14.6
173.09598	4.5
173.11736	15.1
173.13150	1.5
175.11150	4.8
181.04955	1.4
181.12198	7.2
183.06439	1.3
184.07347	1.5
185.07961	1.0
185.11768	1.1
189.09479	1.6
189.11169	13.8
189.12735	1.6
191.10600	6.6
192.11505	1.0
193.12222	13.9
196.14594	1.1
199.06003	5.3
199.09669	2.1
199.13231	21.8
199.14880	1.3
200.14044	3.7
201.14734	1.2
209.11667	17.0
210.12428	1.1
211.13234	6.9
213.14850	1.1
217.12367	1.1
217.14288	6.3
223.13344	1.1
224.14037	4.8
225.07498	1.3
227.12717	22.7
229.14296	24.9
236.65096	1.1
242.15115	1.5
255.15854	5.3
265.14325	1.4
267.15839	15.2
283.15384	27.7
285.16907	2.2
298.17621	1.6
299.14716	1.3
301.16388	43.9
307.15012	1.0
311.21497	1.0
326.24472	1.3
335.18906	0.9
337.16299	1.8
353.15863	1.2
353.22955	1.2
355.17456	1.8
371.24088	3.9
373.18198	1.6
383.24197	7.6
408.24716	1.5
409.25729	1.3
411.20013	1.1
421.25653	1.1
425.25226	3.8
426.25720	1.0
427.19324	2.1
437.25238	4.7
438.26004	2.1
443.26273	3.4
445.20392	1.0
455.26328	36.9
459.27219	2.0
475.26941	3.1
492.26489	1.2
493.27893	2.1
509.27411	18.6
524.29517	3.6
527.28503	9.0
542.30542	2.1
599.30231	1.7
637.31628	1.7
655.33228	6.7
671.32434	4.7
672.33612	1.1
941.87946	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5621
Annotation	Unknow
Peak:m/z	Relative Intensity
66.62381	2.2
67.05492	59.6
67.80999	2.6
69.03387	4.4
69.07059	12.7
71.04977	17.7
71.08607	32.7
76.95132	2.4
78.57549	2.8
79.05482	20.8
81.03400	13.2
81.07031	38.2
83.04968	5.2
83.08609	22.6
85.02894	20.3
85.10178	15.9
87.04443	28.0
89.06017	3.0
91.03910	5.0
91.05463	10.7
93.07027	11.8
95.04948	6.7
95.08570	24.5
97.02894	13.8
97.10155	33.1
97.44265	2.3
99.04445	27.3
107.04959	3.8
107.08572	13.3
109.10155	46.3
111.82400	2.5
125.09606	15.5
127.03910	4.2
131.08549	3.6
135.11662	4.5
163.11275	3.7
173.11729	14.6
199.13266	12.0
220.73083	2.8
227.12746	3.5
229.14348	37.8
241.14349	3.9
253.05692	3.4
283.15378	3.2
313.27322	100.0
315.18002	19.3
328.46667	3.0
341.26819	4.3
437.35980	11.0
455.37244	51.3
467.37207	58.2
539.38739	3.8
553.40759	5.6
571.41748	6.6
618.35022	3.1
798.43353	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	930.6144
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	100.0
68.33733	8.6
69.07054	44.7
79.05479	44.1
81.07028	86.0
83.08585	22.6
85.02905	41.0
91.03946	10.6
91.05477	12.4
92.09379	11.7
93.06499	11.2
93.06993	73.2
94.02571	9.0
94.32659	7.6
95.08578	56.9
97.10126	9.9
107.08586	47.4
109.10155	42.1
118.14129	9.4
119.08559	17.4
121.10107	57.5
135.11687	21.1
149.13213	12.3
168.19585	8.7
168.27231	8.7
211.38965	9.1
230.14258	8.7
257.29156	10.3
261.22104	50.0
276.36063	9.3
278.55948	10.3
311.25897	95.8
335.25610	98.4
400.10861	9.9
423.92084	9.1
571.47083	73.7
589.47931	17.6
857.39075	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	930.562
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	72.8
67.56401	1.8
69.07047	11.2
71.04975	10.6
71.08601	23.1
73.02888	4.8
79.05477	10.1
81.03407	5.5
81.07034	29.8
83.04973	4.6
83.08595	16.0
83.78986	2.3
85.02895	12.1
85.10175	12.9
87.04453	39.8
91.05463	4.6
92.08668	7.5
95.08588	21.0
97.02903	4.7
97.10152	9.7
99.04419	8.4
107.08580	4.3
109.10146	57.3
119.08537	4.6
119.30579	2.8
124.60576	2.1
136.19415	2.1
137.98412	2.0
153.33835	2.3
163.11116	3.7
166.01822	2.5
173.11707	17.9
199.13280	2.7
219.88977	2.2
229.14340	45.3
269.35529	2.6
313.27316	60.3
315.17874	3.9
341.26929	3.3
455.37286	9.8
467.37225	100.0
698.92609	2.8
800.74384	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	930.5609
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	1.8
66.05751	1.2
67.05489	75.8
69.03413	3.4
69.07057	11.7
71.04968	8.0
71.08251	1.8
71.08620	29.7
73.02881	2.9
79.05462	11.4
81.03407	12.2
81.07040	29.9
83.04945	3.3
83.08595	22.5
85.02889	12.5
85.06516	2.4
85.10163	17.0
86.15363	1.6
87.04449	53.3
91.03938	2.4
91.05470	11.1
93.07021	8.4
95.04932	6.3
95.08578	29.3
97.02864	7.0
97.10170	13.2
99.04436	8.9
105.07014	5.7
107.04942	1.7
107.08588	6.8
109.10143	78.0
111.04375	2.4
111.08051	2.9
117.05407	1.8
119.08555	8.0
123.11684	2.2
125.09612	6.7
130.90273	1.5
137.09514	1.7
137.82599	1.4
173.11691	16.4
193.12173	2.8
199.13333	3.0
211.13358	1.4
227.12837	2.4
229.14276	46.1
239.23695	3.3
257.13745	1.7
267.15881	8.9
268.16232	2.1
313.27286	67.1
314.27505	1.5
315.17810	8.1
341.26855	2.7
341.30469	2.7
342.30737	2.1
442.91345	1.4
455.37033	11.3
467.37234	100.0
521.38110	1.8
534.42188	1.8
571.41711	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	930.5613
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	75.9
69.03409	4.2
69.07056	25.3
71.04980	16.3
71.08615	51.9
78.73820	2.4
79.05472	23.0
79.51129	2.3
79.90366	2.2
81.03396	17.1
81.07039	45.0
83.04968	5.6
83.08603	37.0
85.02896	15.5
85.10170	24.4
87.04459	42.2
88.15894	2.4
91.03934	4.5
91.05468	14.9
92.08688	5.2
93.07027	9.5
95.04926	3.7
95.08584	42.2
97.02898	10.4
97.10154	37.7
99.04435	33.2
105.07020	5.9
107.04965	4.3
107.08586	13.9
109.10139	68.7
111.04439	4.0
117.07019	3.3
118.80258	2.2
119.08597	5.4
119.99009	2.3
121.06491	2.8
121.10119	3.8
123.08015	2.9
123.11713	5.2
125.09628	19.0
127.25063	2.7
145.10123	4.1
155.10649	2.7
157.10165	3.7
173.11717	13.0
199.13292	15.5
227.12700	3.4
229.14328	40.8
241.14188	5.1
267.15860	5.5
268.16324	2.8
276.12973	2.7
283.15454	3.5
313.27338	100.0
315.17905	23.1
333.18982	3.6
341.26776	4.1
341.30515	4.4
437.36029	14.3
455.37244	58.6
467.37216	73.8
505.38788	2.9
539.38751	3.5
553.40698	11.2
571.41833	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	928.5832
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05507	19.4
69.07046	6.8
71.08617	25.3
79.05472	15.2
81.03403	52.1
81.07045	23.2
83.04962	3.3
83.08603	22.5
84.59354	1.9
85.02885	11.6
85.10159	13.4
91.05458	17.3
93.07019	7.1
95.04953	18.8
95.08591	21.0
97.02859	3.6
97.10159	9.3
105.06994	13.4
107.08563	7.3
109.06494	2.1
109.09477	1.8
109.10122	12.0
111.08070	7.8
117.07006	2.1
119.08536	12.7
121.10114	8.2
122.17888	1.9
123.08042	2.8
123.11652	2.9
129.06995	6.6
131.08536	6.7
133.06516	3.1
133.10124	7.4
145.99248	1.8
147.11647	3.9
149.09604	3.7
157.10088	9.2
175.11151	7.9
193.12201	30.9
211.13292	12.8
215.43489	1.8
220.91426	1.7
267.15839	40.6
313.27307	26.4
341.30322	19.7
356.58929	1.9
429.20905	8.1
505.38699	11.7
523.32349	3.5
523.39874	100.0
524.39990	3.4
533.41962	26.5
610.14966	1.7
616.49219	1.8
667.44110	13.7
753.41766	2.0
896.14307	2.0
907.18066	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	930.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	34.7
67.05791	3.8
69.03396	5.0
69.07045	6.6
69.82998	2.6
71.04966	4.5
71.23331	3.3
79.05468	40.8
81.03399	100.0
81.07043	49.3
83.04967	16.7
83.08620	33.9
85.02877	42.2
91.05456	46.5
93.07018	31.9
93.37566	3.3
95.04942	40.8
95.08579	25.8
97.06522	4.9
97.10144	7.6
103.05500	3.4
105.07021	35.3
107.04936	13.0
107.08592	12.3
109.06544	4.4
109.10178	4.4
111.08062	17.8
119.04951	5.1
119.08573	33.7
121.10146	12.9
129.07001	25.2
131.08551	14.1
133.10081	16.7
137.05923	4.0
142.07684	4.6
145.09984	3.6
147.04422	6.3
147.11655	24.7
149.05939	5.6
149.09549	11.7
153.06926	7.0
157.06442	7.7
157.10104	27.3
161.05975	4.8
167.07057	4.2
167.08540	5.7
173.05945	31.3
175.03821	12.9
175.11145	24.0
177.05424	4.9
179.08568	4.5
181.06445	4.9
183.08003	14.2
185.05920	5.2
187.07524	27.6
189.05402	6.4
193.04959	8.2
193.12201	63.1
195.08025	7.5
197.05954	7.0
199.07532	22.5
201.09105	22.2
207.08102	14.3
209.05943	23.4
209.09546	4.0
209.12898	3.4
210.06766	5.0
211.07501	45.6
211.13260	57.8
213.05440	34.7
213.09024	5.7
215.06985	7.2
217.04996	5.9
223.07484	28.6
225.05461	7.8
225.09190	12.2
227.07014	22.2
229.04829	5.0
229.08540	4.1
237.05334	7.5
237.09082	13.2
239.07014	35.1
241.04886	4.5
243.06531	4.7
250.06129	5.4
251.07007	6.8
251.10600	4.4
251.14270	17.2
255.06488	37.1
261.12698	5.6
265.08575	4.6
267.15942	37.5
275.14056	4.2
279.13852	4.3
283.06036	17.5
285.16946	85.1
293.15277	16.1
303.13660	5.5
321.14792	31.7
325.14307	5.4
331.13269	6.9
339.15878	34.4
349.14066	35.9
367.15329	67.1
377.13773	12.9
385.16299	20.1
393.75378	3.5
395.14557	11.7
441.18936	13.7
451.17642	6.8
459.20163	7.1
460.19974	3.4
469.18701	6.0
473.24420	3.9
487.19507	16.9
505.20145	27.4
523.21307	13.2
651.31464	5.4
669.32471	5.7
679.30481	6.2
697.31580	19.0
715.33734	25.0
733.33789	29.3
746.09467	4.5
828.81500	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	928.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	27.2
67.13420	1.9
69.07044	8.9
71.08612	30.0
75.62199	1.8
79.05475	22.5
79.07988	1.7
81.03403	82.0
81.07036	36.7
83.04951	5.2
83.08607	20.9
85.02900	4.3
85.10160	19.1
86.54458	2.2
91.03949	2.7
91.05464	18.6
93.07024	19.0
95.04936	29.5
95.08583	30.3
97.02840	3.3
97.10152	9.1
105.07001	18.7
107.04959	4.8
107.08570	4.6
109.06520	2.4
109.10130	13.9
111.08036	8.2
114.36506	2.1
117.06950	2.6
119.08558	15.9
121.06483	2.1
121.10133	9.7
123.08030	2.1
127.03879	2.6
129.06960	8.3
131.08548	14.7
133.09161	2.2
133.10092	10.2
135.11615	2.9
147.08104	3.1
147.11642	10.1
149.09616	3.2
157.10109	13.1
161.41565	1.8
165.07129	1.8
175.11182	3.9
180.62379	2.4
180.88170	2.4
193.12206	31.7
222.92599	2.2
267.15860	98.9
271.26245	3.6
311.30429	2.3
327.28885	100.0
327.32669	4.4
335.25565	3.5
341.30600	3.1
519.40277	91.6
561.41193	5.1
569.41913	13.1
663.44580	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	926.5672
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05500	39.1
69.03407	18.7
69.07053	15.4
70.37155	3.1
71.04956	7.3
71.08613	39.4
79.05482	26.8
81.03397	61.6
81.07042	45.5
83.01284	5.0
83.04949	25.5
83.08610	27.4
85.02883	13.4
85.10171	24.0
90.61012	2.9
91.05461	13.7
93.07017	38.8
93.89095	2.9
95.04934	12.1
95.08589	45.9
97.02859	17.3
97.06539	5.4
97.10134	12.2
99.04418	15.3
105.07047	11.1
107.04935	24.7
107.08549	24.0
109.02859	18.3
109.10148	24.5
111.04408	18.7
111.08126	3.7
117.07013	6.5
117.97666	3.2
119.08549	15.1
121.10112	13.9
123.08023	6.7
123.11670	5.0
127.03883	12.4
131.08504	4.4
135.11665	25.8
139.07565	3.9
145.10120	23.1
153.12682	28.3
163.11150	37.0
173.09586	6.5
181.12196	12.2
185.24254	3.5
191.10632	6.8
209.11620	4.5
227.12802	15.2
257.24719	3.7
265.14264	6.5
283.15292	27.5
301.16345	4.1
309.02109	3.5
313.27322	100.0
327.29068	4.8
341.30759	4.7
353.15869	14.1
427.19534	98.2
513.01483	3.5
521.38318	92.5
535.39624	6.1
567.42157	11.0
665.32098	4.0
665.42499	80.6
683.43390	39.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	928.5839
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	17.3
69.03417	3.3
69.07070	12.6
71.08608	25.5
78.07900	2.1
79.05473	13.9
81.03401	85.9
81.07030	24.7
83.04980	4.6
83.08621	24.8
85.02896	4.9
85.10169	13.6
89.18061	2.9
91.03963	3.2
91.05465	15.0
93.07035	5.7
95.04947	20.6
95.08591	22.4
97.02863	4.1
97.10130	4.2
105.06995	11.8
107.04959	5.5
107.08583	5.4
109.06504	3.5
109.10141	14.2
111.08047	5.3
119.08546	13.3
123.11688	4.4
129.06969	5.4
131.08565	11.1
133.06342	2.6
147.08012	2.6
147.11610	3.8
157.10118	15.3
161.85619	2.5
175.11148	12.2
192.44705	2.6
193.12231	29.6
209.51059	2.3
267.15878	90.7
271.26187	2.6
277.70660	2.5
309.16971	2.9
327.28891	99.3
335.25671	2.7
519.40338	100.0
561.40710	3.8
566.20819	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	925.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	9.5
69.03426	6.5
69.07027	2.8
72.82354	1.5
73.02894	2.7
79.05476	8.2
81.03384	3.3
81.07043	9.2
83.04953	1.6
85.02905	10.1
91.05453	5.8
93.07064	6.0
94.07333	1.5
95.04980	2.1
95.08601	7.0
97.02879	6.6
97.06528	2.1
105.07045	6.8
105.89297	1.7
107.08624	6.7
109.10150	2.2
118.61942	1.8
119.08595	3.8
131.08658	3.0
133.10091	2.0
135.11656	2.2
159.11646	2.3
159.67685	1.9
182.88562	1.6
185.04236	3.0
201.03842	5.2
201.32542	1.8
203.05319	2.2
220.94739	1.9
240.89600	1.9
301.09064	2.9
315.10861	1.9
347.09402	15.7
355.61600	1.7
363.08963	9.1
385.18506	2.1
405.14084	6.1
463.14392	11.0
477.15778	2.6
502.18942	2.1
519.29462	3.7
535.15924	2.8
547.23596	6.5
681.34320	13.2
740.36005	3.7
753.36163	3.5
795.42450	2.2
823.44373	2.4
824.45538	3.2
925.47552	100.0
926.47821	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	926.5668
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	69.5
69.03395	4.6
69.07038	10.2
71.04958	3.1
71.08622	29.0
79.05462	18.8
81.03397	17.3
81.07030	43.8
83.04937	2.7
83.08591	13.8
85.02882	17.8
85.10178	25.5
91.05431	20.5
93.06999	15.4
95.04948	11.6
95.08591	38.4
97.02847	16.5
105.07008	7.0
107.04955	11.5
107.08575	6.7
109.06490	12.2
109.10140	70.9
111.08048	2.9
117.06956	13.6
119.08560	14.2
121.06544	5.3
123.11645	2.9
131.08545	11.0
133.10132	4.3
145.10121	3.7
159.11583	5.1
173.11684	23.3
223.13275	13.1
227.12706	6.4
229.14311	68.3
279.15878	5.4
283.15146	5.2
291.98969	2.7
297.16830	26.7
313.27347	100.0
341.30368	12.2
467.37170	62.1
535.39978	21.6
549.41052	13.3
700.40002	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	925.4762
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05495	9.5
69.03426	6.5
69.07027	2.8
72.82354	1.5
73.02894	2.7
79.05476	8.2
81.03384	3.3
81.07043	9.2
83.04953	1.6
85.02905	10.1
91.05453	5.8
93.07064	6.0
94.07333	1.5
95.04980	2.1
95.08601	7.0
97.02879	6.6
97.06528	2.1
105.07045	6.8
105.89297	1.7
107.08624	6.7
109.10150	2.2
118.61942	1.8
119.08595	3.8
131.08658	3.0
133.10091	2.0
135.11656	2.2
159.11646	2.3
159.67685	1.9
182.88562	1.6
185.04236	3.0
201.03842	5.2
201.32542	1.8
203.05319	2.2
220.94739	1.9
240.89600	1.9
301.09064	2.9
315.10861	1.9
347.09402	15.7
355.61600	1.7
363.08963	9.1
385.18506	2.1
405.14084	6.1
463.14392	11.0
477.15778	2.6
502.18942	2.1
519.29462	3.7
535.15924	2.8
547.23596	6.5
681.34320	13.2
740.36005	3.7
753.36163	3.5
795.42450	2.2
823.44373	2.4
824.45538	3.2
925.47552	100.0
926.47821	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	924.3697
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05476	1.0
69.03410	5.5
69.07037	2.0
71.01351	0.3
71.04965	1.0
71.05325	0.3
79.05459	1.2
81.03418	2.3
81.03792	0.3
81.07026	2.1
83.04965	3.1
83.08602	5.3
85.02885	21.0
85.06516	1.1
87.04463	0.4
89.03922	0.2
91.03914	0.6
91.05446	1.1
93.07009	5.1
95.04941	3.9
95.08571	1.8
97.02858	6.5
97.06495	1.6
97.10136	1.3
99.04427	2.2
103.05423	0.3
105.07009	0.6
107.04910	0.3
107.08583	7.7
109.02874	2.0
109.06511	2.0
109.10144	3.5
111.08068	1.0
113.06023	0.3
115.07539	2.4
117.03322	0.4
118.69945	0.3
119.08561	1.6
121.02808	0.4
121.10117	19.5
123.04369	2.2
123.08034	0.3
123.11666	1.4
125.09593	1.9
127.03885	3.8
131.04897	1.4
131.08556	1.1
133.10094	3.8
135.04410	2.8
135.08038	0.5
135.11658	1.2
139.03822	1.0
143.04906	0.3
145.02817	1.5
145.04929	1.8
147.04372	8.7
147.11668	1.5
149.02318	4.7
149.05917	0.9
149.13235	1.2
151.03877	0.4
151.11162	8.7
153.09068	2.3
154.31656	0.3
159.04364	1.1
161.05910	1.2
163.03865	21.0
163.14780	5.5
165.05466	1.0
167.14270	9.6
168.33614	0.3
171.04338	0.3
173.13254	2.9
175.03912	2.3
175.14789	1.5
177.01785	8.7
177.05396	3.2
181.04942	0.4
185.05959	0.4
187.03860	2.7
189.05437	2.5
191.03363	0.9
191.14268	4.1
195.02821	0.5
201.05469	0.5
203.03355	100.0
204.03674	1.2
205.04919	7.7
209.15331	34.0
210.15578	0.4
213.05351	1.8
215.03343	10.9
215.05330	0.5
216.04068	0.3
217.04953	0.6
219.02797	1.2
221.04341	0.6
227.16353	6.0
229.04980	2.7
231.02829	14.2
231.06380	0.5
233.04396	8.0
233.41193	0.3
241.04936	0.4
243.02884	0.4
247.05928	0.6
251.05644	0.9
257.04367	1.2
259.05911	1.1
261.03879	8.3
266.63687	0.3
275.05420	0.5
279.04938	17.2
291.01804	0.5
291.04935	13.3
291.08209	0.5
300.71210	0.2
303.04904	1.5
321.05948	4.8
336.46313	0.3
339.07028	46.4
340.07455	1.2
357.07892	2.2
380.09656	0.5
389.21689	0.3
465.10028	0.4
501.11972	1.6
518.14807	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	922.5358
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	2.2
65.31593	1.2
67.05141	3.0
67.05491	88.9
69.03403	3.6
69.07056	24.0
71.04948	2.6
73.02888	6.9
79.05476	66.8
81.03398	96.3
81.07037	94.0
81.65585	1.7
83.04977	12.8
83.08604	26.5
85.02888	18.8
85.06515	2.6
91.03925	11.1
91.05464	54.6
93.07021	78.1
93.80286	1.3
94.07351	1.5
95.04945	44.1
95.08010	2.8
95.08587	66.7
97.02865	9.2
97.06513	8.3
97.10127	7.2
99.08047	1.6
103.05484	1.6
105.06357	2.7
105.07016	48.6
107.04939	12.0
107.08575	46.2
109.06489	8.7
109.10143	32.6
111.08076	8.0
117.06980	16.3
119.08554	39.5
121.06467	5.9
121.10117	38.5
123.08044	7.2
123.11675	8.5
125.09595	7.6
127.03897	2.8
128.06158	1.8
129.06998	14.7
131.08540	31.0
133.06494	3.2
133.10095	27.5
135.07990	3.0
135.11655	18.0
136.29150	1.5
137.09561	3.2
142.07813	2.7
143.08501	2.1
145.10068	19.0
147.08018	8.9
147.11690	22.1
149.09619	8.5
149.13277	10.9
151.11125	2.6
157.10080	20.1
159.11670	13.5
161.13249	7.1
163.06017	1.5
163.11177	3.6
163.14841	6.5
165.12708	3.1
169.10037	2.1
171.11647	5.7
173.13252	8.2
175.11188	10.9
185.13132	2.7
187.11107	1.7
187.14853	7.0
189.11180	2.9
193.12178	22.9
211.13045	1.7
227.12788	4.9
243.21066	7.6
261.22095	17.2
267.12997	2.6
267.15842	67.6
275.20081	1.7
285.16833	6.8
294.07779	1.4
301.25275	5.7
309.17038	2.5
317.24496	1.9
333.24365	1.6
335.25726	79.2
336.26013	3.3
421.25531	2.6
435.27066	1.7
435.32449	2.9
453.33270	3.3
471.34323	7.0
527.37170	67.3
545.38239	100.0
563.38922	8.0
569.38074	9.0
623.39630	2.1
635.39490	1.8
653.39502	3.1
671.41437	5.9
867.50531	1.5
926.97845	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	921.4796
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.4
67.05490	29.3
67.05844	1.1
68.05830	1.4
69.03423	7.3
69.07053	13.0
71.04971	2.5
73.02909	7.4
76.42226	0.9
79.05471	23.4
80.05820	1.6
81.03411	7.1
81.07037	34.7
82.07366	2.6
83.04971	6.5
83.08616	6.2
85.02890	11.0
85.06531	1.7
91.03946	7.2
91.05462	27.0
92.09403	1.9
93.07021	28.9
94.07355	2.4
95.04921	7.7
95.08576	17.6
96.08919	1.1
97.02872	9.9
97.06521	5.7
97.10156	1.1
101.02405	1.8
105.07003	19.3
106.07346	1.2
107.04953	2.3
107.08566	19.5
109.06524	1.9
109.10149	8.2
111.04480	1.3
111.08098	1.4
117.07007	7.9
119.08562	12.3
120.08848	1.2
121.10114	11.1
122.10431	1.4
125.09529	1.1
127.03932	1.3
128.06207	1.0
129.06989	2.5
130.08810	1.0
131.08594	8.0
133.10129	10.0
135.08112	1.3
135.11696	8.1
137.09583	1.2
143.08583	1.6
145.10094	9.8
147.11699	8.9
149.13266	5.7
157.10248	1.2
159.11711	6.4
161.13271	1.2
171.11696	1.5
173.13348	1.7
187.05826	1.2
195.13977	1.8
201.03627	1.2
229.14264	1.3
243.08443	1.8
259.20682	4.8
261.22464	1.1
269.17407	10.3
270.17889	1.9
282.17743	1.2
283.15341	1.8
309.05411	1.2
329.30356	1.2
335.25876	4.0
347.09540	4.1
357.15872	1.1
405.13757	7.4
463.30673	4.5
464.30981	4.0
465.20889	9.5
527.37482	1.5
528.37677	2.4
535.28546	2.6
537.23505	1.3
540.04608	1.3
543.36981	2.5
544.36975	2.1
546.38214	1.5
547.23962	1.3
562.38690	1.7
627.26129	9.3
697.34326	4.2
781.74146	1.4
863.55078	1.4
914.61011	1.3
921.47992	100.0
922.48083	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5197
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.3
67.05489	59.4
69.03414	8.4
69.07050	23.2
71.04966	8.8
73.02892	4.5
77.03929	0.6
79.05470	73.7
81.03395	61.8
81.07033	68.0
83.04963	17.9
83.08599	22.7
85.02884	34.6
85.06516	6.1
90.97758	0.8
91.03946	6.3
91.05452	97.5
93.07018	70.4
95.04937	34.3
95.08578	35.8
95.09202	1.3
97.02861	12.4
97.06499	7.5
97.10148	7.2
99.04399	0.9
99.08063	3.7
103.05408	1.3
105.04504	1.6
105.07005	86.1
106.07392	1.0
107.04936	12.3
107.08570	38.7
109.06480	10.9
109.10123	15.7
111.04428	4.2
111.08043	8.7
113.05952	1.6
115.03952	0.9
115.05437	3.5
117.06983	19.2
117.07751	1.1
119.08548	70.4
121.06484	4.9
121.10108	26.8
123.08047	6.3
123.11676	4.8
125.09626	3.3
127.03919	1.4
128.06183	4.0
129.06967	27.2
130.07768	1.2
131.08539	41.8
133.06445	5.1
133.10097	54.3
133.51607	0.8
135.08041	1.6
135.11659	15.3
137.09583	4.7
141.06947	3.9
142.07768	4.4
143.08504	11.6
145.04990	1.2
145.06487	1.4
145.10092	24.2
147.08023	4.7
147.11650	48.1
149.09564	8.8
149.13225	9.8
151.11147	1.3
155.08533	4.8
157.10095	24.0
159.07996	0.9
159.11650	17.9
161.09581	3.1
161.13216	17.8
163.05966	1.5
163.11174	4.7
163.14813	1.7
165.12732	3.5
167.08505	1.4
169.10049	4.1
171.11641	13.6
173.09557	1.1
173.13225	10.7
175.11115	12.1
175.14795	7.8
177.12596	1.2
181.10071	1.9
183.11693	4.3
185.13196	9.6
187.14844	1.8
189.12727	1.1
192.38330	0.7
193.12190	33.2
195.11676	1.8
197.13200	4.4
199.14850	6.6
202.97722	0.9
203.87201	0.7
209.13356	1.1
211.11412	1.1
211.13229	29.7
211.14668	1.8
213.16396	1.4
219.11525	0.9
227.12698	1.0
229.14236	0.9
231.17319	1.0
231.21030	3.6
235.14865	0.9
241.19458	15.0
257.19046	1.9
259.20493	42.4
265.14404	0.8
267.15836	14.0
268.05887	0.8
269.17517	1.5
273.18362	1.3
275.19971	3.3
283.15436	4.5
285.16864	41.0
291.19415	1.1
297.22272	1.0
299.23541	1.3
301.21613	1.0
309.22037	0.8
315.23105	3.8
325.21463	0.9
333.24158	37.0
339.23132	1.6
349.23618	1.2
365.23730	0.8
367.22455	0.8
399.23904	1.0
415.30063	1.3
421.25778	1.2
425.68054	0.8
433.30978	5.5
451.32074	8.0
469.32849	4.0
507.34247	1.5
515.36902	4.8
525.28101	1.6
525.35577	38.4
543.36682	100.0
544.37122	3.0
561.37445	6.4
651.38885	1.2
669.39899	1.2
687.40448	3.2
705.41791	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03943	2.5
67.05490	55.4
69.03426	5.1
69.06701	1.3
69.07049	16.5
71.01338	0.7
71.04975	5.6
73.02898	3.7
73.22037	0.6
76.48581	0.6
79.05471	65.7
81.03398	45.2
81.07037	63.0
82.35244	0.5
83.04965	17.0
83.08598	20.2
83.44043	0.6
85.02885	33.5
85.06515	3.4
87.44957	0.6
91.03933	7.8
91.05459	86.0
93.07020	66.9
95.04945	26.9
95.08584	34.6
97.02878	8.3
97.06494	6.1
97.10129	6.0
99.04440	0.9
99.08067	2.7
103.03896	0.7
103.05437	2.9
105.04522	1.3
105.07011	88.0
106.07346	0.8
107.04933	8.6
107.08575	35.6
109.02886	0.7
109.06532	7.8
109.10139	14.7
111.04433	1.4
111.08060	8.3
113.05997	1.2
115.05412	4.7
116.06255	0.9
117.07004	21.5
119.04900	0.8
119.08559	72.2
121.06483	3.6
121.10117	30.6
123.08054	5.0
123.11691	4.0
125.09602	2.6
127.03886	1.1
128.06207	2.7
129.05475	2.2
129.06978	24.3
130.07695	1.3
131.08543	35.9
133.06467	3.1
133.10103	55.4
135.08078	2.5
135.10670	0.8
135.11671	16.8
137.09615	4.9
137.13304	0.8
138.50812	0.6
141.06978	0.9
142.07780	6.0
143.08530	14.7
145.04904	1.4
145.06392	0.9
145.10110	27.0
147.07996	4.1
147.11662	44.5
148.59897	0.7
149.09584	9.2
149.13219	9.2
155.08534	4.7
156.09315	1.2
156.61972	0.7
157.06575	0.7
157.10095	22.7
159.11656	19.2
161.09628	1.3
161.13226	19.1
163.11188	4.8
163.14763	1.2
165.12764	3.0
167.08516	0.9
169.10081	4.9
170.10625	0.8
171.07990	0.8
171.11659	15.6
173.09641	0.7
173.13181	11.0
175.11163	9.9
175.14798	9.6
177.12772	2.6
181.10075	2.8
183.11667	3.9
185.13210	8.7
187.14798	3.4
189.12732	1.4
191.14262	0.8
193.12213	23.0
195.11647	3.3
197.13234	3.7
199.14775	6.6
201.16422	0.7
203.14226	1.4
207.11720	0.7
209.13278	1.0
211.13242	22.5
213.16333	1.0
217.15811	1.2
223.14870	1.1
227.12770	1.3
229.14201	1.0
231.17603	0.7
231.21118	4.6
241.19444	17.8
257.18979	1.5
259.20514	55.5
260.20917	1.1
261.22119	1.4
265.14462	0.7
267.15854	10.9
269.17349	0.8
275.20123	1.3
277.21695	1.2
283.15329	2.8
285.16895	27.4
297.22125	1.3
299.23657	1.0
315.23038	6.5
333.24173	39.1
335.25659	0.9
349.21442	0.8
421.25473	0.8
433.30890	7.1
433.51654	0.7
435.27078	1.0
451.32092	5.7
469.32898	3.4
507.34293	1.4
515.37097	4.2
515.77496	0.8
525.35663	35.6
526.35797	1.4
543.36694	100.0
544.37018	5.1
561.37921	5.7
651.38373	1.0
669.40063	0.9
687.40381	2.3
705.42059	1.3
789.03497	0.8
933.16968	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5202
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03914	3.4
67.05489	78.7
69.03412	7.6
69.07050	21.1
70.04166	0.6
71.01349	1.7
71.04965	4.4
71.08613	0.6
73.02899	9.8
74.10719	0.5
79.05470	67.0
79.19042	0.5
80.06242	1.2
81.03392	17.8
81.07033	69.6
81.60612	0.5
82.03742	0.5
82.04182	5.1
83.04466	0.5
83.04963	15.5
83.08595	17.6
84.05730	0.7
85.02886	24.2
85.06517	3.6
86.87991	0.5
87.04414	0.8
91.03934	13.0
91.05453	46.6
92.08674	0.6
93.07018	66.1
94.07816	0.8
95.04939	20.5
95.08582	53.7
96.04460	0.7
97.02866	13.9
97.06509	8.8
97.10149	13.8
98.07291	6.5
99.04419	2.6
99.08059	2.4
103.03954	0.6
103.05457	1.0
105.04525	0.5
105.07008	33.4
106.07819	0.9
107.04936	6.3
107.08572	40.4
109.02844	0.7
109.06505	5.4
109.10135	24.2
111.04412	2.1
111.08073	4.9
113.06030	0.6
115.03941	0.5
115.05430	1.2
116.04684	16.2
117.05498	0.5
117.06229	0.8
117.06995	13.3
119.08549	24.7
121.06461	2.9
121.10117	27.8
123.08038	5.7
123.11656	5.8
125.09600	14.8
127.03884	3.7
127.11166	2.4
128.06241	1.0
129.05453	38.2
129.06908	6.9
131.08542	21.3
133.10095	18.8
135.08034	3.6
135.11656	17.4
136.08826	0.6
137.09592	3.6
137.13260	0.7
139.11168	1.1
142.07733	0.7
143.07004	7.7
143.08524	2.7
145.04922	2.7
145.06465	0.6
145.10091	14.6
147.07976	2.3
147.11658	12.7
149.09579	3.7
149.13217	8.7
153.09085	0.9
153.12674	0.9
155.08531	0.9
157.08566	18.2
157.10100	6.0
159.11650	7.5
161.13213	5.2
163.05975	2.4
163.11153	2.9
163.14850	2.6
164.12057	0.9
165.12718	0.9
169.10011	0.6
171.06468	0.6
171.10101	4.8
171.11641	2.5
173.09598	0.9
173.11786	1.2
173.13187	8.0
175.11148	4.3
175.14771	2.4
177.12715	0.6
181.12180	0.9
183.11665	2.1
185.11700	1.2
185.13272	2.0
187.14767	2.2
189.11160	6.1
191.10625	0.9
191.17766	0.5
193.12213	5.7
199.13271	4.6
199.14854	1.0
200.14038	2.2
201.12837	0.5
201.14844	0.7
209.11702	2.3
211.13173	4.7
227.12723	9.0
228.13354	0.6
229.14220	2.4
243.21025	3.3
255.15886	0.8
259.20493	2.5
261.22086	11.2
267.15805	4.9
269.17261	0.9
277.21591	5.3
283.15375	4.1
283.18045	0.6
285.16797	1.9
301.16385	50.2
302.16727	0.7
315.23001	1.3
317.24680	2.1
321.20734	0.6
333.24042	0.8
335.25732	65.4
336.26169	1.9
351.25284	1.7
389.26651	2.1
417.30276	0.6
435.32544	0.7
451.31885	0.9
467.29532	0.7
469.32877	0.7
487.34207	0.8
489.35516	1.2
525.35889	2.2
527.37189	7.4
543.36688	8.4
544.37195	1.2
545.38477	4.3
558.08966	0.6
561.37738	100.0
562.37988	4.4
579.38788	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	920.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33074	0.8
65.03924	1.7
67.05492	70.6
68.71351	0.7
69.03420	8.8
69.07051	17.6
71.04971	5.5
73.02898	13.7
79.05476	58.8
79.88346	0.8
81.03403	16.5
81.07037	64.6
82.04174	5.9
83.04533	0.8
83.04971	15.6
83.08604	15.3
85.02888	25.3
85.06546	1.4
87.04433	1.4
88.84368	0.8
91.03934	13.7
91.05459	42.7
92.09486	1.4
93.07022	58.5
95.04951	18.3
95.08581	45.8
96.89287	0.7
97.02871	16.6
97.06506	10.6
97.10150	17.6
98.07284	7.4
98.85344	0.7
99.08083	1.3
101.06004	1.7
105.04501	1.1
105.06355	1.6
105.07014	27.5
107.04945	6.1
107.08572	34.9
109.06499	6.3
109.10139	20.7
111.04361	1.2
111.08081	5.3
113.06005	1.1
115.05440	1.1
115.07574	1.3
116.04686	19.5
117.06995	12.3
119.08552	22.4
121.06455	3.7
121.10110	23.4
123.08049	6.1
123.11673	5.0
125.09605	14.9
127.03902	1.2
127.11138	1.0
128.06189	1.1
129.05455	50.6
129.06892	7.0
131.08539	19.0
133.06493	0.9
133.10104	17.9
135.08051	4.3
135.11668	15.6
137.09590	4.1
137.13242	1.6
137.17043	1.0
141.06976	1.0
143.07042	9.6
143.08551	2.0
145.04942	4.3
145.10114	13.4
147.08080	1.2
147.11678	13.9
149.09595	4.7
149.13284	5.9
153.09047	1.3
153.12723	1.0
157.08586	24.1
157.10072	4.2
159.11659	7.7
161.13216	4.3
163.05995	4.1
163.11157	7.4
163.14757	1.4
165.12770	1.8
169.10023	1.1
171.10135	10.2
171.11609	2.0
173.13225	6.3
175.11165	3.8
175.14821	1.4
185.11729	1.8
185.13185	1.8
187.14799	3.2
189.11151	8.5
193.12187	8.9
199.13220	4.3
199.14824	1.2
200.13954	4.0
209.11674	1.6
211.13228	4.3
227.12790	11.0
229.14236	1.2
241.19411	1.0
243.21042	4.5
259.20462	1.0
261.18365	0.9
261.19498	0.9
261.22006	9.8
267.15854	6.6
277.21573	4.3
283.15335	4.3
285.16959	1.9
301.16400	100.0
302.16681	1.0
315.23193	0.9
335.25720	57.9
351.25040	1.4
389.26688	1.1
430.27591	0.9
451.31656	1.0
495.62457	0.9
527.37592	7.9
543.36340	4.1
545.38013	3.7
561.37793	54.7
561.46710	1.7
562.37781	1.2
579.38568	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5227
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05479	1.0
69.03416	4.9
72.33857	0.8
73.02911	3.3
73.80988	0.9
79.05472	1.7
81.03415	4.7
81.07046	1.9
85.02889	6.6
91.03958	3.0
91.05473	1.4
92.08658	3.6
95.08591	1.5
97.02890	5.2
101.02433	1.1
119.08561	1.3
131.08614	0.8
133.10152	0.9
135.64038	1.0
149.09573	1.5
193.12346	1.2
202.04573	0.8
203.05334	1.0
243.08618	1.4
248.48010	0.9
262.29742	0.8
283.15158	1.6
325.98749	0.8
347.09528	2.0
352.89771	1.0
356.91046	0.9
405.13660	6.7
497.30869	5.5
501.22995	10.1
659.36023	4.5
663.27924	8.4
717.76355	1.0
757.47119	3.4
919.52173	100.0
920.52502	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	919.5222
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	2.1
69.03413	4.3
71.01349	0.6
71.04972	0.7
73.02903	4.8
76.54234	0.4
79.05487	1.9
81.03402	3.7
81.07048	2.3
83.08591	0.8
85.02887	6.1
91.03937	3.9
91.05489	1.5
93.07044	1.7
95.04962	0.7
95.08594	2.2
97.02863	6.8
99.04440	0.7
101.02383	1.9
103.03936	0.6
105.07021	0.9
107.08614	0.6
109.02885	0.8
109.10173	0.6
113.85655	0.4
115.03937	0.4
119.08548	0.6
121.10143	1.6
127.03907	1.6
131.08557	0.8
133.10066	1.3
147.11676	0.8
149.09618	1.7
157.10170	0.5
175.11220	0.4
185.04225	0.5
193.12158	0.6
197.15565	0.5
203.05324	0.8
225.14729	0.5
243.08536	1.9
267.15900	0.8
274.21243	0.5
283.14978	2.9
313.27316	0.8
318.63541	0.4
347.09360	3.0
363.09158	0.6
365.10706	1.7
370.40100	0.5
405.13654	6.8
461.07211	0.4
469.20544	0.4
497.30673	6.8
501.22958	12.4
527.39496	0.5
528.28339	0.4
595.42395	0.5
653.41846	0.4
659.36084	5.8
663.28180	10.8
757.47186	4.1
919.52124	100.0
920.52081	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	918.504
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	77.4
69.03416	4.4
69.07040	16.8
70.25824	4.1
73.02877	5.4
79.05481	61.8
81.03378	8.4
81.07030	68.0
83.04959	6.5
83.08608	28.7
85.02873	23.0
91.03922	7.9
91.05454	54.9
93.07019	68.8
95.04936	16.5
95.08575	49.6
97.02865	24.3
97.06522	5.4
99.00800	29.9
105.07016	37.1
107.04931	9.2
107.08578	34.5
109.02845	18.5
109.10136	17.7
117.07017	6.9
119.08571	35.4
121.06438	7.8
121.10123	23.5
127.03904	7.3
131.08513	16.4
133.10098	56.2
135.08061	4.5
135.11626	18.7
143.08582	7.5
145.04941	4.2
145.10133	6.5
147.11627	4.2
149.13197	7.0
159.11649	6.6
161.09564	26.8
171.07930	6.0
179.10645	14.8
182.62079	3.8
189.09090	7.2
213.67345	4.2
225.11096	8.4
243.12331	4.3
261.22061	18.1
285.16885	6.0
299.14801	100.0
335.25656	76.4
411.24161	4.4
467.31256	7.6
485.32330	5.0
487.35693	4.3
541.34906	18.7
559.35986	41.3
664.71411	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	918.5045
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03938	1.7
67.05492	51.1
69.03410	6.4
69.07060	15.3
71.01340	2.1
71.04974	6.4
73.02903	2.3
79.05475	64.4
81.03391	17.2
81.07037	58.0
83.01331	7.9
83.04963	17.1
83.08591	18.4
85.02883	20.7
87.40122	1.5
91.03941	8.6
91.05459	76.4
91.64822	1.3
93.07023	78.4
95.04951	14.8
95.08582	33.4
97.02861	11.5
97.06528	8.9
97.10151	5.6
98.44098	1.5
103.05449	2.5
105.07012	70.2
107.04947	11.1
107.08577	38.3
109.06500	10.2
109.10142	13.2
111.08052	3.2
115.05463	2.1
116.06216	1.9
117.06991	27.6
119.08554	60.4
121.06513	7.1
121.10114	21.7
122.15597	1.5
123.08055	9.6
123.11625	1.5
125.09589	2.0
128.06194	2.5
129.06985	18.3
130.07776	2.4
131.08546	28.6
133.10109	45.5
135.08049	6.1
135.11635	19.4
136.00780	1.6
141.06932	1.4
143.08562	13.6
145.04919	2.1
145.10086	30.9
147.08060	2.7
147.11652	38.2
149.09625	6.7
149.13261	7.1
153.12726	2.2
155.08565	2.8
156.09322	2.4
157.10086	13.4
159.11626	15.6
161.13193	18.3
163.11151	22.0
169.10052	1.9
171.11659	10.0
173.09605	5.3
173.13216	10.6
175.11169	1.4
175.14792	8.8
181.12122	1.4
183.11642	2.2
185.13266	9.8
187.14798	2.7
191.10599	1.9
193.12187	1.6
199.14778	3.2
209.11595	2.1
227.12833	6.8
231.21005	2.6
241.19482	12.7
255.78214	1.6
257.18979	2.5
259.20520	41.9
275.20084	6.5
283.15344	42.1
285.16870	1.9
297.22049	5.8
315.23120	6.0
333.24207	25.3
396.02206	1.6
396.86371	1.4
431.29031	1.7
449.30215	6.2
456.63528	1.5
461.53290	1.4
467.31177	2.6
485.32846	2.4
523.33984	14.3
531.35614	1.8
541.35144	100.0
542.35785	1.9
559.36139	31.7
703.39368	2.5
896.28137	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5047
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33695	0.8
65.03918	1.7
67.05490	33.1
69.03411	3.5
69.06712	1.2
69.07053	21.4
71.04967	5.2
71.33320	0.7
73.02882	1.0
74.84100	0.6
77.57999	0.7
79.05467	33.5
81.03396	39.0
81.07031	46.4
83.04958	13.4
83.08592	16.3
85.02882	20.6
85.06520	1.6
90.02368	0.7
91.03932	1.0
91.05455	53.5
93.07020	34.6
95.01310	6.5
95.04942	22.8
95.08583	25.8
97.02872	2.8
97.06503	22.3
97.10148	3.6
99.08082	1.0
105.07006	69.5
106.07358	0.6
107.04936	18.2
107.08575	15.1
109.06500	7.2
109.10120	7.1
111.04420	0.9
111.08050	7.2
113.05981	1.6
115.05446	1.3
117.07008	10.7
119.08550	38.7
121.06463	3.4
121.10114	13.6
123.04420	2.5
123.08049	4.8
123.11655	1.1
125.09629	1.3
129.06963	9.5
131.08540	22.2
133.06433	3.5
133.10098	36.2
134.10516	0.8
135.08018	3.2
135.11674	6.6
137.09557	2.7
142.07762	1.8
143.08556	1.8
145.06491	1.2
145.10106	13.5
147.08054	2.7
147.11674	22.1
149.09589	11.1
149.13246	1.3
151.11116	0.7
155.08469	1.1
157.10100	12.0
159.11635	7.2
161.13242	3.9
163.11134	4.7
165.09074	1.4
165.12680	1.4
169.10078	1.1
171.11720	2.5
173.13190	1.5
175.11139	9.8
177.12651	1.6
179.14281	8.1
183.11636	0.8
185.13211	0.8
187.11172	0.9
193.12187	19.4
197.13130	0.8
211.13235	14.2
229.19443	1.2
257.18927	3.6
267.15845	19.4
275.19983	41.5
279.15918	1.0
285.16898	37.2
286.17346	0.9
293.21124	1.5
349.23679	22.7
433.65430	0.7
541.35089	63.3
542.35498	3.3
551.62378	0.7
559.36188	100.0
560.36401	3.8
703.40088	3.3
841.82208	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03933	3.0
67.05141	2.6
67.05494	63.7
69.03411	3.3
69.07059	17.7
71.01354	1.9
71.04978	3.5
73.02893	7.4
74.76814	1.3
75.63759	1.4
79.05477	51.0
81.03407	8.3
81.07038	80.4
83.04961	7.2
83.08591	14.5
85.02903	20.2
85.06561	2.1
91.03925	10.0
91.05457	48.0
93.06483	3.2
93.07024	66.2
95.04935	10.0
95.08011	2.5
95.08586	49.5
97.02853	16.2
97.06498	8.4
97.10144	3.6
99.00781	25.6
99.04457	2.2
105.07015	37.1
107.04942	8.2
107.08588	37.2
109.02892	14.3
109.06495	3.9
109.10146	22.7
111.08062	7.9
115.03903	3.7
117.06998	11.0
119.08559	23.3
121.06478	8.3
121.10102	21.7
123.04388	2.9
123.08041	1.9
123.11695	6.5
127.03901	7.1
129.07033	1.9
131.08546	17.1
133.10109	55.9
135.11650	15.0
139.07530	3.6
143.08510	3.8
145.04994	2.4
145.06372	1.9
145.10110	11.4
147.11658	9.0
149.13234	7.2
151.11153	12.9
159.11703	6.9
161.09589	24.8
161.13103	2.6
163.06053	2.7
163.14816	3.2
165.09131	1.9
171.08026	3.0
173.13264	7.6
179.10634	13.6
189.09117	9.6
197.11708	3.4
207.10094	3.5
225.11162	11.2
235.23842	1.5
243.12070	2.4
243.21022	7.3
261.22006	17.9
281.13742	2.8
283.81247	1.5
299.14835	86.2
315.22855	3.1
335.25754	100.0
336.25970	2.0
410.81439	1.8
467.31424	3.2
531.36664	3.3
541.34766	17.3
559.36200	75.7
560.36285	2.3
577.37207	3.4
713.04413	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.5046
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	0.8
67.05489	30.2
68.99774	0.8
69.03406	2.6
69.07050	18.8
71.04965	2.6
71.08585	0.5
79.05471	29.4
81.02934	1.0
81.03396	21.3
81.07034	39.4
83.04961	9.6
83.08589	8.9
85.02885	11.6
85.06533	1.5
91.05453	45.1
93.07019	25.9
95.01291	5.9
95.04940	16.4
95.08578	22.1
96.60612	0.7
97.02866	2.1
97.06496	16.8
97.10127	3.0
103.05434	0.9
105.07009	62.8
107.04942	14.7
107.08578	13.1
109.06494	5.7
109.10133	6.3
111.04381	0.9
111.08048	3.3
113.05997	0.9
115.05412	1.0
117.06991	9.8
118.14699	0.6
119.08553	34.4
121.06454	2.7
121.10114	8.6
123.04377	1.4
123.08027	3.9
123.11681	1.2
125.09624	1.4
127.03860	0.6
129.06944	6.6
131.08537	19.9
133.06480	1.2
133.10100	33.9
135.08041	1.3
135.11658	3.6
137.09605	2.5
139.07520	0.9
141.06995	1.2
142.07773	1.3
143.08531	3.3
145.06424	1.4
145.10101	13.4
147.08105	0.9
147.11655	16.5
149.09586	5.1
149.13284	2.7
151.11119	1.2
155.08531	1.1
155.50726	0.7
157.10101	6.3
159.11661	7.7
161.13257	4.1
163.11148	3.5
165.09044	1.3
165.12807	0.8
169.10112	1.4
171.11617	1.0
173.09657	0.8
173.13251	0.8
175.11125	3.6
177.12729	1.5
179.14273	8.7
183.11696	1.3
187.11154	1.5
193.12210	10.6
197.13225	0.7
211.13237	7.3
219.17358	3.6
219.58740	0.6
229.19409	0.7
239.17809	0.8
247.20512	0.8
257.18863	3.2
267.15839	8.3
275.19998	34.7
279.15741	1.3
285.16907	13.7
293.20987	1.4
349.23651	21.3
356.81760	0.8
417.15985	0.7
517.71234	0.7
541.35126	49.4
542.35077	1.1
559.36188	100.0
560.36139	2.6
680.48718	0.8
703.39874	2.9
874.55768	0.8
935.01428	0.9
948.15973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03920	1.0
65.53025	0.5
67.05490	22.7
69.03405	4.2
69.07052	6.2
71.01336	0.6
71.04976	3.3
73.02893	1.2
79.05471	25.5
81.03397	64.4
81.07037	22.7
83.04967	7.2
83.08601	21.8
85.02895	5.0
85.06523	2.5
91.03940	1.1
91.05460	19.2
92.09401	1.3
92.63625	0.5
93.07021	21.1
95.04945	29.0
95.08584	10.7
97.02876	4.5
97.06503	4.9
97.10149	20.2
99.04429	0.6
99.08082	0.7
105.07015	16.7
107.04942	18.9
107.05629	1.0
107.08581	12.9
109.02824	0.7
109.06496	11.6
109.10152	5.9
111.04409	1.9
111.08060	6.3
113.05952	0.8
115.05448	1.1
117.06981	7.3
119.04936	2.0
119.08552	14.3
121.06472	12.2
121.10119	10.2
123.04419	2.8
123.08025	5.1
123.11690	0.7
125.05997	1.1
125.09602	16.7
127.03890	1.0
129.06973	10.6
131.04890	3.0
131.08539	15.0
133.06430	7.1
133.10118	5.9
135.08012	7.3
135.11646	3.2
137.05939	0.7
137.09637	2.5
141.06958	0.8
142.07771	2.3
143.08574	2.6
143.10599	0.5
145.05026	0.6
145.05226	0.7
145.06441	8.8
145.10104	7.6
147.04407	2.9
147.07996	6.9
147.11671	7.7
149.05940	1.0
149.09596	6.2
151.07495	0.9
153.09123	5.2
153.12721	1.0
155.08545	3.2
156.80775	0.6
157.06534	1.9
157.10088	11.2
159.08063	2.7
159.11693	1.3
161.05972	2.2
161.09564	1.8
163.11142	5.4
165.12721	1.3
167.08492	0.9
167.10661	0.9
169.10088	3.2
171.08038	2.3
171.10172	1.2
171.11682	2.2
173.09596	2.1
173.11758	0.5
173.13174	1.0
175.07565	0.9
175.11136	10.6
177.12729	0.8
177.96344	0.7
181.10098	1.1
183.08087	1.2
183.11623	0.7
185.09590	1.1
185.13237	1.3
187.07413	0.6
187.11150	2.7
187.14752	0.7
189.09363	1.1
189.11195	8.8
189.12761	2.9
191.10616	0.6
191.14299	1.0
193.12199	23.7
193.13947	0.9
195.11688	0.8
197.09576	1.3
197.13232	2.5
199.11179	3.7
199.13120	1.5
199.14883	0.6
201.12750	0.7
205.12230	3.6
211.11266	1.1
211.13287	2.0
213.12770	2.3
215.14279	1.2
217.12280	1.3
219.13783	3.4
223.11285	0.7
223.13249	1.2
225.12701	0.7
227.12717	2.7
227.14517	1.2
231.13797	2.3
233.13347	0.8
233.15282	5.7
235.13243	2.3
237.12660	2.3
241.14282	0.8
243.13678	0.7
245.15262	1.1
249.14670	1.1
255.13710	2.6
259.13312	3.6
267.15854	50.5
269.15237	0.6
271.16861	0.8
273.14716	9.8
273.17111	0.8
275.16434	1.9
289.17792	0.8
291.15781	0.9
309.16818	0.9
311.16278	0.6
321.22116	0.7
339.23074	4.6
340.38229	0.6
349.21539	6.4
357.24124	4.5
367.22610	17.1
385.23636	26.0
386.24203	0.8
387.48590	0.8
403.24817	4.9
405.24835	0.6
441.26279	8.9
459.27313	96.7
460.27606	2.1
477.28381	100.0
478.28519	2.1
491.30014	12.5
501.28387	6.9
509.31018	4.9
513.28308	0.8
531.29437	2.1
541.33313	0.6
543.29572	2.4
555.29932	0.7
567.29547	5.6
585.30511	1.1
603.31201	1.0
621.32654	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	918.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	3.8
67.05492	100.0
68.68420	2.0
69.03413	10.8
69.07049	10.6
69.48907	2.1
70.22169	2.2
71.04967	11.1
73.02898	9.2
77.83793	2.4
79.05460	33.8
79.74939	2.6
80.19241	2.1
81.03404	28.8
81.07042	41.8
82.14670	2.4
83.04960	18.5
83.08581	24.2
85.02894	25.2
85.06541	5.0
87.04446	34.7
91.03938	3.9
91.05483	25.5
93.07006	22.8
95.04955	20.6
95.08589	10.3
97.02860	14.9
97.06510	11.4
97.10144	23.4
98.05181	2.6
99.04414	9.3
105.07027	13.5
107.04937	4.8
107.08608	18.5
108.37645	2.1
109.06485	3.2
109.10139	69.1
111.08054	9.0
116.04695	11.4
117.07008	4.9
119.08591	13.1
121.10150	4.8
123.08061	3.2
125.09599	23.9
127.03933	3.4
129.05458	30.6
131.08545	4.5
133.10080	3.9
135.08017	3.7
135.11610	2.9
137.06012	2.2
137.09625	2.5
143.07051	4.3
143.10712	3.0
145.04930	3.2
145.10103	10.1
147.11572	2.5
149.09599	2.7
155.10561	3.2
157.08563	15.0
157.09886	2.7
161.50597	2.4
163.11118	8.9
171.06456	3.4
171.10094	4.5
173.11690	16.6
189.11227	3.4
193.12291	5.0
199.13234	12.4
209.11693	5.3
227.12720	11.0
229.14355	35.7
241.14301	3.1
255.15910	2.7
267.15765	4.1
283.15381	13.5
283.19025	2.6
301.16403	24.5
315.17871	3.0
383.24210	3.0
438.25989	3.7
455.26407	34.9
467.27747	3.2
541.30035	41.9
559.31097	26.4
694.68445	2.5
707.63757	3.0
841.01416	2.7
843.28552	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	917.5069
Annotation	Unknow
Peak:m/z	Relative Intensity
65.21333	1.5
65.85741	1.4
69.03430	2.6
69.67030	1.6
72.27645	1.6
73.02901	3.5
80.60947	1.8
81.03405	2.8
81.07033	2.8
85.02914	4.2
89.97813	1.6
90.79118	1.7
92.08652	3.2
93.07056	1.9
93.41216	1.6
95.08638	2.6
97.02889	7.6
101.02388	2.2
154.66783	1.6
166.61890	1.9
231.27864	1.7
240.83868	1.8
251.12567	1.7
281.13742	2.9
347.09451	3.6
405.13892	7.6
497.30695	3.2
499.21106	14.2
659.35651	3.5
661.26959	7.1
772.01709	2.3
917.50592	100.0
918.51569	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	918.3224
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03413	7.8
71.01318	0.7
71.04972	34.6
73.02885	2.2
74.51968	0.4
75.04447	2.4
81.03387	5.0
83.04970	3.8
85.02882	78.4
87.04446	1.8
88.49906	0.4
88.60569	0.5
91.05450	12.4
97.02863	13.2
97.56000	0.5
99.04405	3.0
101.02377	0.4
105.03383	0.9
105.06987	2.4
107.04929	9.7
109.02838	4.5
111.04423	2.5
113.86755	0.6
115.05389	0.7
119.04906	6.7
121.02817	0.8
123.04404	4.3
127.03863	6.9
129.05440	15.6
131.04889	8.5
133.02818	9.5
133.06451	15.5
135.04373	3.8
145.04918	4.7
145.06445	3.0
147.04381	41.2
147.06331	6.5
149.05951	7.2
149.27309	0.5
151.03813	0.5
153.94089	0.5
157.06375	0.5
159.04379	5.3
161.02284	13.3
161.05934	25.2
164.09155	3.8
165.05504	1.8
171.04356	5.3
173.05917	3.3
175.03851	1.0
175.11525	0.5
177.05466	2.8
179.03362	6.0
185.05925	0.6
187.03850	14.5
189.05414	62.2
196.36636	0.5
197.05962	2.0
199.03864	15.0
201.05437	0.6
205.04942	4.3
215.06845	0.6
217.04915	75.3
218.05234	0.8
235.06018	1.8
245.04330	0.8
251.93021	0.5
255.08531	1.1
259.05881	1.1
263.05435	88.8
264.05759	0.6
273.09668	2.6
305.06589	4.0
309.11771	6.9
323.07529	100.0
324.07870	1.1
341.08588	7.0
364.10162	2.6
427.04303	0.5
434.20169	0.8
485.13019	3.5
502.15399	2.3
705.05127	0.6
909.74597	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32946	1.5
67.05490	47.2
69.03406	7.5
69.07055	20.4
71.04972	3.4
71.08611	35.5
73.02905	8.6
77.03890	1.8
79.05470	39.9
81.03397	11.6
81.07036	54.5
83.04977	12.7
83.08601	25.6
83.10025	1.6
85.02882	24.7
85.06504	1.9
85.10159	18.9
91.03927	13.0
91.05468	22.3
93.07021	41.1
95.04939	9.9
95.08579	38.1
97.02871	29.0
97.06509	11.1
97.10151	9.2
103.63987	1.6
105.07017	10.0
106.99358	1.7
107.04935	10.3
107.08576	26.4
109.06507	2.0
109.10148	22.1
111.04428	25.8
111.08049	1.7
113.05994	1.8
115.28903	1.6
117.06991	8.2
119.08537	12.2
121.10120	36.0
123.04450	1.9
123.08052	1.8
123.11691	8.0
127.03918	2.5
129.07002	1.8
131.08565	10.6
133.10101	8.3
135.08051	3.6
135.11656	14.0
139.11148	7.9
145.04924	2.1
145.10092	15.0
147.07982	1.9
149.09610	11.0
151.11183	2.0
155.08440	2.0
163.05954	2.0
163.11153	13.0
167.10582	2.2
173.09607	7.9
181.12157	2.7
191.10667	13.6
203.12781	2.0
209.11682	94.5
209.13647	3.8
221.59389	1.8
227.12784	14.3
239.23636	4.0
241.14308	10.5
265.14499	2.1
283.15314	54.3
283.18314	2.6
301.16370	77.9
313.23688	3.6
313.27304	100.0
479.36801	6.2
493.38409	2.7
519.07520	2.0
521.30792	2.8
521.38312	62.5
539.39331	55.4
554.24902	1.9
557.39948	6.4
761.30957	2.1
805.66547	1.9
839.81647	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	916.5473
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	72.9
69.03405	4.6
69.07050	14.0
71.01344	1.4
71.04977	1.6
71.08245	1.6
71.08616	31.2
73.02897	4.4
76.09845	0.9
79.05469	19.8
81.03398	6.6
81.07038	36.4
83.04952	5.0
83.08602	23.0
85.02419	1.6
85.02889	29.8
85.06532	1.4
85.10169	15.7
87.04449	5.4
89.06008	1.5
91.03941	8.2
91.05446	10.3
93.07026	12.6
95.04939	4.2
95.08583	37.7
97.02870	11.3
97.06502	3.3
97.10157	25.6
99.04424	1.5
103.04008	0.9
103.07542	1.2
105.07015	6.5
106.15033	0.9
107.04946	3.6
107.08586	8.9
109.02853	1.2
109.10141	62.3
111.04436	5.3
111.08035	2.1
117.06977	1.6
119.08524	7.4
121.10110	5.0
123.07987	1.3
123.11677	4.5
125.09624	12.6
127.03936	1.5
129.06963	1.2
131.08563	1.7
133.10094	2.2
134.83240	0.8
135.11678	2.1
137.09570	1.5
137.13208	1.1
143.10689	1.5
145.04910	1.4
145.10139	3.7
153.12744	1.3
155.10670	1.7
163.05943	1.7
163.11154	4.3
169.05580	0.9
173.11676	11.1
191.10608	2.2
199.13208	11.3
209.11757	6.6
227.12741	5.7
229.14313	42.6
239.23598	1.6
257.24747	2.1
261.22244	1.2
283.15381	6.0
297.16962	1.9
301.16400	27.2
313.27304	100.0
314.27411	3.3
335.25702	6.9
406.36563	1.0
437.36084	8.2
455.37274	14.6
467.30539	1.4
467.37216	36.8
479.37460	1.0
489.35565	1.6
505.38876	1.0
521.38232	5.5
539.39233	21.9
557.38940	5.5
943.44635	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	1.9
67.05493	62.3
69.03407	5.3
69.07054	14.1
71.01336	1.0
71.04970	2.1
71.08614	25.6
73.02907	3.8
73.60739	0.8
76.96684	0.7
77.35802	1.0
79.05473	20.3
80.05849	1.0
81.03397	7.4
81.07037	39.5
83.04968	4.9
83.08604	18.4
84.76228	0.7
85.02894	22.2
85.03378	1.7
85.06523	1.8
85.10165	14.7
87.04449	4.7
91.03943	7.4
91.05460	11.3
93.07018	16.3
93.75847	0.9
95.04959	6.1
95.08577	28.9
97.02861	6.8
97.06512	1.9
97.10146	24.3
99.04391	1.0
103.03866	1.0
105.07018	5.6
107.04921	3.7
107.08572	16.5
109.06474	1.0
109.09387	2.0
109.10143	57.9
111.08083	3.2
111.11691	1.1
112.99334	0.8
117.07040	3.1
119.08564	5.9
121.06542	0.8
121.10117	5.2
123.08071	1.3
123.11676	4.8
125.09604	14.2
127.03920	1.4
129.07060	1.2
131.08536	1.7
133.10124	1.9
135.08078	0.9
135.11693	3.7
136.97040	1.2
137.09634	1.6
137.28604	1.0
143.10681	1.1
145.04930	1.9
145.10110	3.6
153.12772	1.0
155.10620	1.8
156.53333	1.0
161.09552	0.9
163.11140	3.7
173.11705	12.5
180.68933	0.8
189.11168	1.0
191.10611	1.2
199.13283	8.5
209.11794	4.3
212.80443	0.8
223.13235	3.6
227.12730	4.4
229.14293	45.6
229.16501	1.6
239.23630	1.8
257.24756	1.7
261.22070	1.0
267.15787	1.1
283.15308	3.8
297.16797	6.5
301.16415	24.8
313.27307	100.0
314.27731	1.3
335.25732	7.0
341.26663	1.1
363.44266	1.0
437.36127	4.5
455.37231	13.2
467.37247	35.9
489.35739	3.3
521.38220	3.6
539.39178	16.8
557.38934	7.7
701.44049	1.3
734.63440	1.0
935.11981	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	100.0
69.03421	9.9
69.07066	25.4
71.04980	3.1
71.08589	3.9
73.02905	5.3
79.05472	74.8
81.03386	25.1
81.07037	96.2
83.04954	13.3
83.08597	17.0
85.02885	30.3
85.06500	3.6
85.10171	3.7
87.04407	2.5
91.03905	21.0
91.05463	56.3
93.07024	67.5
95.04955	31.9
95.08583	64.1
97.02881	19.0
97.06527	4.2
97.10130	23.6
105.07017	30.4
107.04934	14.3
107.08585	48.1
109.10142	27.7
111.04478	4.4
117.06985	24.9
119.08569	22.8
121.06484	9.7
121.10117	24.0
123.11721	4.0
125.09598	14.2
127.03902	5.3
129.07025	3.4
131.08549	31.5
133.10095	14.5
135.08015	4.3
135.11656	12.0
143.08553	3.6
145.10149	16.4
147.11713	4.3
149.09610	3.3
149.13330	10.1
159.11681	17.2
161.13150	3.1
163.11073	2.9
169.09966	3.2
173.11810	2.8
177.12738	5.2
184.66264	2.6
187.11185	4.2
189.11166	4.7
209.11739	12.0
223.13275	49.3
227.12816	6.3
229.14368	9.9
241.14290	4.7
261.22113	11.0
279.15823	13.3
283.15274	5.3
297.16898	92.3
299.14832	5.8
300.15262	3.6
301.16412	10.7
313.27280	26.5
314.27518	2.9
335.25748	53.1
521.38080	5.5
538.37878	3.2
539.38470	27.6
557.38251	64.8
575.39569	3.6
864.19049	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	916.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03927	3.8
67.05487	62.3
69.03413	3.7
69.07058	17.4
69.20499	0.9
71.04979	3.7
72.82212	0.7
73.02876	2.0
73.06522	1.1
77.03906	1.0
79.05470	94.8
80.99586	0.8
81.03395	8.9
81.07031	63.5
83.04963	14.0
83.08604	8.8
85.02881	7.4
85.06516	3.8
91.03931	2.0
91.05457	100.0
92.08654	1.8
93.07019	93.1
95.04948	28.1
95.08578	44.0
97.02863	4.0
97.06502	6.1
97.10123	5.5
99.08080	1.3
100.31234	0.8
101.20906	0.8
105.04486	4.3
105.07009	92.2
107.04929	8.9
107.08566	37.8
109.06490	7.3
109.10145	10.6
111.08097	1.2
115.05421	2.0
116.70362	0.8
117.06991	26.8
119.08555	65.0
121.06471	3.6
121.10123	20.8
123.08021	5.8
123.11645	1.2
127.07526	1.4
128.06207	5.7
129.05504	1.0
129.06973	27.9
129.07928	1.4
130.07718	1.2
131.08540	24.0
133.10104	44.4
135.08014	1.6
135.11658	15.0
137.09595	2.0
141.06947	1.4
142.07777	1.6
143.08537	19.8
145.04855	1.2
145.10088	29.6
147.08044	3.4
147.11656	59.7
149.09647	1.7
149.13248	9.1
149.87708	0.9
153.31607	0.8
155.08528	3.9
156.09325	1.3
157.10092	12.2
159.11635	16.5
161.09578	4.3
161.13211	34.3
163.11128	2.0
163.14769	3.5
169.10081	4.0
171.11647	29.5
173.13216	12.1
175.14809	10.3
177.12721	1.2
181.10080	1.1
181.77237	1.0
183.11638	1.5
185.13159	7.9
187.11102	1.0
187.14761	4.2
189.12669	7.1
189.16306	1.2
195.11682	1.2
197.13165	2.1
199.14780	5.5
201.16252	1.2
207.13763	13.3
209.13260	1.3
215.14572	1.2
225.14822	1.1
231.21046	5.1
241.19458	18.2
257.19141	1.3
259.20477	48.4
261.22092	1.5
279.15884	16.1
281.17380	47.2
297.31375	0.8
315.23096	2.1
331.87790	0.9
333.24170	33.8
364.86658	0.9
414.25705	1.0
447.32507	6.6
447.63522	0.9
465.33459	7.6
483.34723	4.0
497.14285	1.0
521.36243	4.1
529.38641	1.3
539.37213	97.1
540.37518	1.7
557.38263	37.0
647.38019	1.4
870.27338	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.5207
Annotation	Unknow
Peak:m/z	Relative Intensity
64.49765	2.1
67.05146	4.2
67.05496	100.0
69.03407	5.7
69.07053	26.8
71.05000	4.6
71.08622	9.0
73.02901	10.4
79.05063	3.8
79.05483	72.1
81.03391	12.0
81.07038	81.8
81.24136	2.0
83.04968	8.9
83.08595	21.0
85.02890	34.2
85.06533	4.5
85.10159	5.6
87.48139	2.3
91.03926	12.5
91.05473	39.6
93.07021	62.7
95.04960	19.1
95.08588	58.4
97.02866	12.4
97.06515	4.2
97.10145	20.6
99.08024	2.3
105.07048	29.8
107.04937	13.0
107.08585	34.8
109.06493	4.4
109.10153	43.1
111.04417	2.7
114.23851	2.2
117.07021	17.4
119.08559	24.6
121.06478	9.7
121.10138	26.9
123.08092	4.4
125.09607	15.4
127.03902	5.7
129.06981	4.3
131.08566	22.9
133.10094	19.8
135.08032	2.9
135.11658	13.5
141.06912	4.1
145.04927	2.6
145.10133	14.4
147.11694	3.5
149.13234	8.5
159.11646	11.0
161.13150	4.0
163.06032	3.0
163.11116	3.7
169.10217	3.3
171.11636	4.0
173.11725	3.9
174.26331	2.5
187.14673	2.6
189.11163	3.8
209.11703	14.3
223.13235	43.8
227.12697	9.3
229.14334	14.6
261.22174	11.3
263.79004	2.3
283.15338	5.1
297.16916	43.2
301.16248	20.5
313.27359	38.2
335.25714	57.5
401.02728	2.4
455.37195	4.3
460.32233	2.3
467.36935	4.4
489.35709	4.4
521.38507	8.8
529.38818	3.6
539.38556	20.9
557.38367	71.6
575.39148	3.4
744.49701	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	916.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
65.97034	1.6
67.05489	16.9
69.07054	10.8
71.04993	1.4
74.05816	1.5
79.05479	20.0
81.03402	9.1
81.07040	29.8
83.04961	9.3
83.08601	7.0
85.02886	3.6
91.05463	29.6
93.07015	21.0
95.01310	2.5
95.04960	9.4
95.08575	17.1
97.02836	2.0
97.06501	10.0
97.10152	3.1
105.07020	39.8
107.04967	12.5
107.08569	13.4
109.06491	6.4
109.10121	6.6
116.44254	1.7
117.07003	12.3
119.08547	25.6
121.06438	2.6
121.10115	5.9
123.08047	1.8
129.06956	1.9
131.08566	12.6
133.10081	16.7
135.11674	7.7
137.09605	2.1
145.10118	10.8
147.11665	7.2
149.09592	1.9
159.11694	3.0
163.11121	14.8
179.14374	5.0
212.75714	1.6
275.20032	20.6
283.15305	36.4
302.30432	1.9
349.23755	9.0
385.86078	1.8
401.44797	1.6
511.62064	1.8
539.33936	2.7
557.34619	100.0
575.35498	2.1
759.67554	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.3818
Annotation	Unknow
Peak:m/z	Relative Intensity
64.23262	2.3
64.86671	2.2
65.03925	2.8
65.86595	2.2
67.05496	13.0
69.07053	100.0
71.08608	3.0
79.05452	2.9
81.03394	13.9
81.07044	6.1
87.12636	2.4
91.05458	2.8
93.03395	3.4
93.07030	4.7
95.04913	10.3
95.08633	2.9
97.06534	5.1
99.21712	2.6
109.10156	3.0
111.04437	24.5
117.73161	2.4
119.08533	2.5
129.09096	13.6
141.99202	2.9
155.43549	2.6
267.15765	6.2
307.11414	3.7
313.27338	2.9
341.30499	3.3
420.63794	2.7
457.86322	2.9
505.39035	4.1
523.21136	5.5
656.45459	3.3
660.55219	3.2
697.30243	14.1
741.28900	13.2
811.36835	5.9
871.38922	5.5
915.37952	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	915.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	0.7
67.46301	0.4
69.03426	4.2
71.05019	0.5
71.08614	0.7
73.02891	4.4
79.05473	2.1
81.03382	3.8
81.07045	1.1
83.05001	0.5
83.08593	1.8
85.02882	7.3
91.03955	3.5
91.05456	2.3
93.07092	0.6
94.85343	0.5
95.08611	2.1
97.02878	6.9
99.04456	1.1
101.01044	0.5
101.02381	2.1
105.07007	0.8
109.02847	1.0
115.03967	0.5
125.62209	0.5
127.03922	2.4
133.10155	0.6
159.88652	0.5
185.04312	0.6
211.13348	0.8
243.08432	2.3
251.12500	0.8
291.78018	0.6
341.30707	0.9
347.09503	2.6
365.10672	0.9
405.13586	5.5
469.20297	12.0
516.52881	0.5
525.33777	5.3
542.55255	0.6
631.25586	10.4
687.39075	5.4
753.47473	2.2
761.80627	0.6
915.52698	100.0
916.52997	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	916.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	2.5
67.05486	54.7
69.03405	17.2
69.07050	12.7
70.04214	0.6
71.01336	2.6
71.04965	12.5
71.39640	0.5
73.02898	6.5
73.06550	0.5
77.03894	0.6
78.63636	0.5
79.05467	55.1
80.06248	1.1
81.03391	100.0
81.07031	45.6
82.04172	2.5
83.01318	2.1
83.04958	29.1
83.08593	27.7
84.02084	0.8
84.05739	2.3
85.02881	30.1
85.06519	4.2
91.03909	2.3
91.05451	51.3
93.03374	0.8
93.07014	36.1
94.04172	1.1
94.07808	2.1
95.04937	39.3
95.08575	19.1
97.02856	20.6
97.06493	12.3
97.10137	15.8
98.03648	9.4
98.07283	2.9
99.04420	5.4
99.08047	2.8
103.05466	2.4
105.04456	0.6
105.07001	35.5
107.04927	18.4
107.08573	21.0
109.02846	6.6
109.06496	9.2
109.10135	21.7
110.03614	0.6
110.07285	5.9
111.04401	7.0
111.08047	12.4
113.05960	5.1
115.05441	2.6
116.04652	4.1
117.05504	0.5
117.06998	8.8
117.34148	0.5
119.08545	27.1
121.02939	0.5
121.06477	6.9
121.10103	17.0
123.04385	5.0
123.08031	8.5
123.11702	3.6
125.05962	3.8
125.09587	16.1
127.03870	6.4
127.07584	0.7
127.11183	0.6
128.06180	1.1
129.05458	10.4
129.06960	17.3
130.07756	1.0
130.89978	0.5
131.04871	2.5
131.08530	21.4
133.06429	4.6
133.10091	15.5
135.04398	1.2
135.08025	3.8
135.11647	7.3
136.11417	0.6
136.12495	0.7
137.05948	0.8
137.09570	4.3
139.07510	0.8
142.07779	2.9
143.07060	2.6
143.08572	0.9
143.10660	0.6
145.04903	0.7
145.06473	2.5
145.10077	9.1
147.04414	0.8
147.08037	6.6
147.11649	21.2
149.05978	0.6
149.09596	8.7
151.07539	0.8
151.11198	0.6
153.05412	1.0
153.09085	5.5
153.12698	5.3
155.08543	2.0
155.10690	0.5
157.06500	0.6
157.08630	3.8
157.10106	18.4
158.05814	0.7
159.11670	0.8
161.09550	0.8
163.11118	11.7
165.12645	4.6
171.06473	3.4
171.10182	2.3
173.04404	8.6
173.09581	3.2
173.11682	3.9
175.11131	16.0
181.12196	3.8
187.11105	0.6
189.11171	5.4
191.10561	4.4
193.12186	38.0
199.05966	3.2
199.09622	0.6
199.13225	6.0
209.11679	7.8
211.13242	43.8
224.13962	3.9
227.12726	12.4
229.14317	6.0
231.13759	1.0
247.13260	2.4
249.14806	1.1
255.15892	2.1
261.14920	0.7
265.14331	2.3
267.15820	25.9
283.15378	12.6
285.16885	25.7
301.16428	7.4
313.16232	0.7
315.17868	0.6
337.16296	1.1
339.17963	2.2
346.03128	0.5
353.15918	0.9
355.17322	0.9
373.18643	0.7
391.24655	0.9
409.25723	3.8
411.19977	1.2
421.25610	8.4
427.19568	2.5
427.26767	5.4
429.20956	2.4
439.26807	51.5
445.20349	0.8
457.25629	1.0
458.26978	0.6
459.27292	2.5
465.28366	0.7
475.26718	6.8
476.27560	3.7
477.28116	3.3
493.27786	16.8
494.28546	3.7
508.30029	2.4
511.28854	12.0
526.31244	1.2
583.30566	0.8
609.85303	0.7
621.32324	2.7
637.31921	3.6
638.33362	0.6
639.33508	3.7
655.33008	9.6
853.29419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.51
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	23.5
69.07050	16.7
79.05473	29.7
81.03399	5.0
81.07037	26.7
81.07488	2.0
83.04952	5.3
83.08598	4.9
85.02879	1.6
91.03934	1.5
91.05453	31.9
92.64279	1.1
93.07016	26.0
93.42215	1.1
95.01293	2.5
95.04933	8.5
95.08582	17.7
97.06519	18.7
99.80367	1.0
100.63503	1.0
105.07009	34.5
107.04936	11.3
107.08598	10.4
109.06464	1.9
109.10152	2.3
117.06998	7.6
119.08562	22.9
121.06464	1.8
121.10127	5.7
123.08058	1.7
125.08745	1.1
125.09634	1.7
129.06973	5.7
131.08560	9.7
133.10088	18.0
135.07927	1.2
135.11678	2.2
143.08545	5.2
145.06544	1.2
145.10060	9.9
147.11653	14.5
149.09612	1.8
149.13258	1.4
159.11665	4.8
161.13188	6.1
163.11076	1.3
171.11674	6.6
177.12669	1.8
179.14307	5.0
187.11186	1.9
189.12827	1.3
207.13757	1.7
238.97189	1.1
247.20667	1.3
275.20007	23.9
279.16071	1.2
279.20169	1.2
280.81299	1.0
281.17438	15.8
349.23587	8.3
537.36237	1.5
555.36682	100.0
556.36505	1.6
573.37463	1.5
940.97644	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5676
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	0.4
66.44653	0.4
67.05494	15.1
69.03413	2.2
69.06709	0.5
69.07054	9.4
71.04976	0.7
71.08615	26.2
73.02896	0.9
74.17250	0.4
79.05480	8.4
81.03402	74.9
81.07038	19.2
83.04967	4.1
83.08604	21.2
84.33297	0.4
85.02887	6.2
85.06519	1.0
85.10169	15.4
89.06013	0.9
91.03925	4.0
91.05460	12.5
93.07034	7.8
95.04949	21.7
95.08584	19.5
97.02878	5.6
97.06493	1.8
97.10151	5.6
99.11691	0.5
100.08285	0.5
102.01641	0.4
103.07558	0.9
105.06360	0.5
105.07013	9.9
107.04965	4.1
107.08587	3.8
109.06508	2.3
109.10150	8.4
111.04433	1.9
111.08054	6.4
111.11697	0.7
115.05434	1.0
117.06995	0.9
119.08571	10.1
121.06478	2.6
121.10130	5.0
123.04382	1.9
123.08053	0.8
123.11671	3.8
127.03898	0.5
129.06975	9.0
131.08531	6.7
133.06468	2.6
133.10103	3.6
137.09599	0.9
137.13216	2.5
142.07785	0.9
145.04927	1.0
145.10095	0.9
147.04381	0.8
147.08028	3.4
147.11688	7.0
149.09584	4.3
157.10100	10.5
163.05966	2.0
163.11185	1.0
165.12682	1.1
175.11156	10.3
193.12216	29.5
205.12283	0.5
211.13280	1.0
235.13217	1.9
239.23703	2.1
249.14772	1.6
257.24762	3.1
259.13263	0.9
267.15863	89.5
273.14688	0.6
295.63937	0.5
301.14380	1.0
309.16891	2.4
313.27316	100.0
314.27643	0.9
333.57913	0.5
394.39926	0.4
423.16202	0.5
505.38797	84.2
506.39087	2.4
523.39740	3.8
547.39813	7.2
555.08710	0.5
571.39752	0.6
589.40570	0.9
601.40894	2.7
613.40491	2.0
631.41882	2.5
649.43103	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	914.5671
Annotation	Unknow
Peak:m/z	Relative Intensity
63.74230	0.5
65.22426	0.5
65.86598	0.5
67.05487	17.1
69.03404	2.4
69.07049	9.0
71.04961	1.2
71.08610	22.9
72.50214	0.6
73.02891	2.7
75.04488	0.6
79.05470	11.4
81.03395	78.8
81.07034	21.0
83.04969	3.3
83.08602	24.1
83.45140	0.5
85.02887	6.9
85.06492	0.7
85.10157	15.4
89.06009	2.3
91.03929	4.8
91.05454	14.0
91.33751	0.5
91.80206	0.5
93.07018	8.0
95.04941	22.6
95.08575	20.4
97.02879	5.0
97.06512	0.8
97.10138	5.8
100.73702	0.6
103.07568	1.0
105.06999	12.7
107.04899	5.3
107.08578	4.3
109.02845	1.2
109.06509	3.2
109.10132	8.9
111.08064	6.4
111.11730	1.1
115.05412	0.9
117.07014	0.8
119.08543	10.0
121.02753	0.7
121.06455	0.8
121.10083	4.6
123.04417	2.3
123.08039	2.3
123.11675	4.2
127.03900	1.0
129.06949	8.6
131.08543	9.0
133.06458	3.7
133.10103	3.6
135.11662	0.7
137.09625	0.9
137.13261	1.1
142.07750	1.4
145.04938	1.0
145.10075	0.8
147.04414	1.0
147.08041	2.8
147.11646	7.8
149.09633	4.6
157.10091	10.0
163.05995	2.6
163.11169	1.1
165.12732	1.4
175.11118	8.6
193.12212	28.8
211.13237	1.1
235.13168	1.4
239.23605	2.7
249.14731	2.8
250.48003	0.6
257.24695	2.7
259.13266	0.8
267.15842	89.1
268.16095	0.8
273.14941	0.7
301.14282	1.1
309.16852	2.6
311.41379	0.6
313.27301	100.0
314.27621	1.2
479.49271	0.6
505.38754	83.2
506.39124	2.3
523.39771	3.4
547.39777	6.4
601.41089	3.9
613.41058	2.1
631.41394	2.8
635.17969	0.6
649.42419	0.8
771.76483	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	913.511
Annotation	Unknow
Peak:m/z	Relative Intensity
64.48044	1.4
67.05525	1.7
69.52877	1.6
70.23682	1.7
73.02901	3.1
81.03391	1.6
85.02898	8.3
91.03930	2.3
93.07058	2.0
97.02877	3.9
132.26501	1.8
139.60031	1.7
405.13797	7.2
467.19073	9.1
525.34204	3.9
629.24219	7.4
687.39539	4.0
751.45587	2.4
913.51154	100.0
932.22565	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	914.4583
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03897	1.6
67.05143	2.9
67.05492	65.7
68.43672	1.3
69.03415	31.2
69.07051	15.4
70.95022	1.2
71.01338	2.7
71.04980	20.1
73.02897	6.9
79.05472	66.5
80.06240	2.4
81.03397	90.7
81.07037	59.1
82.04171	5.8
83.01323	17.8
83.04961	43.2
83.08607	28.4
85.02884	29.2
85.06515	6.0
87.04424	2.2
91.03896	5.8
91.05458	49.2
93.07019	64.3
94.04147	2.0
94.07780	1.5
95.04941	36.5
95.08584	28.3
97.02866	33.0
97.06506	19.7
97.10143	22.4
98.03656	13.8
98.07297	5.3
99.04452	12.2
101.91161	1.5
103.05428	1.5
105.04500	1.4
105.07005	29.3
107.04934	30.2
107.08579	43.2
109.02879	15.6
109.06496	15.9
109.10137	30.9
110.07272	9.3
111.04423	16.7
111.08065	8.0
113.06002	6.1
116.04683	2.8
117.06990	24.2
117.76322	1.6
119.04884	2.3
119.08565	27.0
120.09335	1.8
121.06451	12.0
121.10121	21.2
123.04427	6.7
123.08034	18.0
125.05966	5.7
125.09604	23.1
127.03901	12.7
127.11113	1.5
129.05470	12.3
129.06958	10.4
130.07747	3.0
131.04909	1.9
131.08549	12.9
133.10127	13.4
135.04420	2.4
135.08032	10.6
135.11667	22.7
137.05974	3.0
137.09619	5.7
139.07555	2.1
143.06972	1.9
143.08534	2.2
145.06509	5.3
145.10089	38.5
147.08000	6.7
147.11665	11.2
149.05957	2.6
149.09555	3.3
151.11128	1.6
153.05345	1.7
153.09090	8.5
153.12674	15.8
155.08516	6.7
157.08623	2.4
157.10042	1.8
161.09520	1.8
163.11156	52.4
165.12712	1.9
171.10043	1.5
173.04395	12.5
173.09647	10.1
173.11671	6.3
175.11179	3.1
181.12199	14.0
189.11198	7.6
191.10606	12.7
193.12207	5.2
199.06013	7.5
199.13298	3.3
209.11674	19.7
211.13260	7.0
224.14052	6.8
227.12750	28.7
229.14336	2.5
255.15765	1.8
265.14252	6.1
267.15857	11.1
283.15329	64.8
301.16476	12.5
337.16483	3.3
353.16083	3.2
365.19324	2.1
374.24323	1.5
411.19955	1.6
425.25110	2.4
427.19388	12.0
437.25223	100.0
438.25607	1.7
445.20490	3.3
474.25876	5.9
475.26782	9.4
491.26215	23.6
492.26834	6.5
493.27487	5.6
506.28696	6.1
509.27304	28.1
524.29279	2.1
545.42236	1.4
619.31134	2.9
635.30463	6.9
636.31244	2.7
637.32019	14.3
653.31757	27.5
654.31421	2.3
671.32251	6.0
768.23016	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	909.4808
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	6.4
69.03410	6.3
69.07051	2.2
71.01332	0.5
71.05009	0.8
73.02897	8.3
79.05479	6.5
81.03410	4.4
81.07039	7.7
83.04969	1.1
83.08602	0.8
85.02891	10.8
85.05012	0.4
85.84424	0.5
87.15952	0.4
91.03936	6.2
91.05447	6.3
92.09235	2.0
93.07021	7.0
95.04377	0.4
95.04971	2.9
95.08585	3.8
97.02859	8.9
97.06517	0.6
97.10136	0.4
99.04461	2.0
101.02390	3.1
103.03901	0.8
105.07005	6.2
106.07335	0.5
107.08576	3.7
109.02914	0.7
109.06507	0.7
109.10170	1.1
113.50415	0.5
117.07001	1.0
119.08566	3.6
121.10145	2.6
127.03908	3.1
129.06927	0.6
131.08577	2.5
133.10133	3.1
135.11681	0.7
145.10117	1.6
146.10611	0.5
147.11703	0.6
149.09654	0.6
157.10196	1.0
159.11711	0.8
171.63222	0.5
185.04289	0.6
190.79932	0.5
193.12169	0.6
202.35147	0.6
211.81262	0.5
243.08473	2.9
281.46780	0.5
347.09418	3.4
365.10699	0.9
405.13608	5.5
469.20343	5.8
519.29163	7.2
631.25769	3.3
681.34290	7.5
747.42578	1.0
909.48004	100.0
910.48126	5.8
926.20880	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	910.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05484	2.0
69.07053	100.0
73.13071	1.3
79.73535	1.3
81.03387	2.1
81.07053	1.5
83.04980	2.8
91.05415	1.7
92.08639	4.3
95.08620	1.4
97.06531	1.8
109.10190	1.9
111.04441	12.2
114.63600	1.4
129.09076	28.8
143.03139	1.5
147.48787	1.8
157.08557	7.9
158.86134	1.6
267.12286	2.1
313.08936	1.7
313.16464	2.9
313.27625	2.1
453.78589	1.8
857.37250	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	910.572
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	21.9
69.07047	6.7
71.08612	21.5
75.36682	5.0
79.05468	24.1
81.03387	44.1
81.07047	21.0
83.04967	8.1
83.08609	23.1
85.02890	27.0
91.05462	25.2
92.08623	10.0
93.07045	20.1
95.04942	8.0
95.08590	24.3
97.02850	6.6
97.10142	9.3
105.07032	8.0
111.08072	6.6
119.08570	11.8
121.10086	12.1
128.79231	5.1
129.07065	6.2
131.08582	8.9
133.10118	12.4
136.54890	4.8
147.11649	7.3
157.10110	10.7
175.11092	10.8
193.12236	20.2
211.13318	32.7
267.15768	24.3
285.16891	42.6
295.44952	5.5
313.35754	5.4
322.82767	5.6
341.30359	70.6
497.45932	7.5
533.41693	26.1
551.43024	100.0
783.16473	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	912.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	33.1
68.92258	1.6
69.03384	2.0
69.07063	13.6
69.65720	1.6
71.01335	1.9
71.04988	7.1
71.08614	38.3
73.02918	1.9
77.32539	1.5
78.18047	1.7
78.58446	1.6
79.05475	30.7
81.03401	31.6
81.07040	43.2
81.07489	3.1
83.04964	16.9
83.08603	16.4
85.02890	20.2
85.06526	1.6
85.10175	19.2
87.04439	2.0
87.17953	1.5
91.03950	6.9
91.05471	18.7
93.07032	34.4
95.04972	12.4
95.08595	39.0
97.02855	17.8
97.06504	9.0
97.10165	9.6
99.04458	2.6
105.07015	11.8
107.04949	24.1
107.08572	18.3
107.68143	2.0
108.67959	1.8
109.06506	13.1
109.10139	16.2
111.04420	28.5
111.08035	3.0
113.70673	1.6
117.07024	10.0
119.08536	16.3
121.06491	9.4
121.10126	14.2
122.61913	1.9
123.08084	7.4
123.11702	3.1
125.05967	9.2
129.06975	3.4
130.07701	1.7
131.04877	1.8
131.08553	11.5
133.10168	1.6
135.08031	2.5
135.11682	18.7
137.09604	3.6
143.08493	1.7
145.10088	29.4
147.07983	2.5
153.12727	12.7
155.08458	1.9
163.11147	40.7
173.09586	11.5
177.12601	2.0
181.12215	6.5
191.10637	13.6
209.11671	11.9
223.13234	29.7
227.12737	2.4
239.23807	1.7
241.14307	20.4
265.14291	9.7
283.15396	33.0
297.16574	2.3
313.27304	85.7
315.17984	41.6
327.29034	2.1
419.67615	2.0
503.37457	12.5
521.38287	100.0
535.40485	2.4
553.40967	68.8
756.13171	2.1
911.49164	2.7
912.48425	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	909.4805
Annotation	Unknow
Peak:m/z	Relative Intensity
64.77216	0.6
67.05491	5.7
69.03413	4.8
69.07068	1.1
69.12048	0.5
71.04980	1.1
73.02902	5.1
74.22761	0.5
79.05470	5.4
79.75417	0.6
80.05798	0.7
81.03403	5.9
81.07030	8.0
83.04983	1.1
83.08616	0.6
85.02886	9.9
91.03945	5.5
91.05460	6.5
93.07020	5.9
95.04959	3.8
95.08585	4.9
97.02878	9.7
97.06511	0.9
99.04438	2.4
101.02392	2.2
103.04044	0.7
105.07019	6.1
107.08589	3.6
108.08919	0.6
109.02910	0.7
109.06535	1.2
109.10179	2.9
109.50227	0.6
115.03956	0.7
119.08577	5.2
121.10139	1.3
127.03914	1.3
129.06992	0.7
131.08569	1.3
133.10178	1.2
135.11699	0.8
142.07748	0.6
145.10144	1.1
147.11766	2.2
155.08644	0.6
157.10078	1.0
175.50734	0.6
193.12195	0.7
193.25365	0.7
211.13332	0.6
240.34433	0.6
243.08479	1.4
293.29526	0.9
308.07654	0.7
335.25851	0.8
347.09610	3.1
405.13528	6.8
447.45599	0.6
469.20456	8.2
519.28851	4.9
589.26306	0.6
631.25317	7.0
681.34637	3.3
715.63470	0.7
747.43671	1.0
772.20294	0.7
823.41956	4.9
909.47974	100.0
910.48059	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	908.556
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33385	0.8
66.77835	0.8
67.05489	24.5
67.63368	0.9
67.87354	1.0
69.03400	4.5
69.07050	25.8
71.04962	4.9
71.08611	2.5
73.02889	3.7
79.05476	22.8
81.02938	1.7
81.03403	48.0
81.07035	34.3
83.04962	14.0
83.08605	30.0
85.02888	32.2
85.06509	1.4
85.10173	1.7
91.03934	5.8
91.05450	25.8
93.07013	18.2
95.04935	19.6
95.08580	26.2
97.02859	9.3
97.06494	4.9
97.10145	13.9
99.08045	1.3
104.03339	0.9
105.07014	24.9
107.04927	6.8
107.08571	8.3
109.06487	4.8
109.10133	11.4
111.08070	7.8
113.06001	1.2
113.23201	1.0
115.05432	1.5
119.08559	18.1
121.06551	1.1
121.10110	12.9
123.11684	1.5
126.82314	1.1
127.67121	1.1
129.06947	9.6
131.08562	12.4
133.06432	1.9
133.10088	12.6
135.11659	5.2
142.07758	1.6
145.04918	1.2
145.10057	2.4
147.08046	1.6
147.11679	11.4
149.09584	6.0
149.13217	2.2
153.83084	1.1
157.10095	12.7
163.05969	1.1
165.12683	1.8
175.11150	12.9
177.95232	1.3
193.12199	33.5
211.13249	31.7
267.15811	9.5
285.16898	42.5
339.28885	44.3
355.93774	1.2
531.40326	13.2
549.41400	100.0
609.47705	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5566
Annotation	Unknow
Peak:m/z	Relative Intensity
65.77535	0.5
67.05492	13.8
69.03414	2.3
69.07048	7.5
71.04980	2.7
71.08243	0.9
71.08617	21.1
73.02900	3.5
73.30950	0.5
74.83102	0.6
79.05051	0.8
79.05476	14.0
81.03409	9.4
81.06596	1.0
81.07039	22.2
83.01325	9.0
83.04970	10.7
83.08607	14.4
85.02888	18.4
85.06526	0.7
85.10172	14.6
89.06005	2.0
91.03940	8.9
91.05460	9.4
92.09085	3.1
93.07027	19.8
95.04948	5.3
95.08002	1.0
95.08585	18.2
97.02872	9.8
97.06516	4.2
97.10149	6.3
99.04448	3.2
103.07540	0.6
103.70493	0.5
105.07008	8.6
107.04958	7.3
107.08586	12.5
109.02848	1.0
109.06509	6.3
109.10130	7.8
111.04418	2.4
111.08076	0.9
111.11723	0.9
113.32409	0.6
117.07009	6.3
119.08543	7.1
121.06454	4.4
121.10140	6.7
123.04425	0.7
123.08057	8.4
123.11714	2.0
125.05982	1.3
125.09575	0.7
127.03910	3.9
129.06990	1.1
130.07739	0.8
131.08534	1.2
133.10117	2.2
135.08018	0.9
135.11682	8.8
137.09590	0.7
137.13202	1.0
139.07460	0.7
143.08556	0.9
145.04971	2.7
145.10109	14.2
147.08012	1.0
153.12756	3.0
155.08578	1.2
163.05983	3.5
163.11156	21.9
173.09630	2.5
181.12206	2.3
191.10693	0.9
209.11751	5.3
227.12724	2.6
267.26770	0.9
283.15347	100.0
284.15887	1.0
285.27826	2.1
297.63501	0.5
341.30447	71.7
342.30823	0.9
407.18100	0.5
496.91940	0.5
549.41382	55.0
550.42090	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	908.5567
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05488	15.8
69.07053	14.8
69.40903	2.0
71.05002	1.9
71.08616	20.8
73.59943	2.4
76.43182	1.9
79.05467	23.6
81.03410	3.5
81.07040	19.9
83.08598	10.0
85.02910	3.5
85.10173	12.6
91.05464	2.8
93.07014	30.8
95.04916	4.0
95.08575	48.2
97.02850	3.0
97.06464	3.0
97.10153	7.8
99.00756	2.5
105.07001	4.1
107.04942	3.7
107.08576	29.3
109.06527	3.3
109.10133	5.2
111.11705	2.2
117.06961	4.9
119.08533	3.8
121.06503	5.2
121.10127	13.5
122.78822	2.3
124.68080	2.5
135.08095	2.1
135.11661	54.3
142.48782	2.1
145.10110	25.6
147.19687	2.1
153.12721	2.1
163.11140	70.9
177.35693	2.1
181.12187	9.1
227.12689	53.0
283.15347	63.9
285.28015	3.0
341.30414	74.5
389.00623	2.8
549.41394	100.0
549.49902	3.6
550.41327	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	907.4652
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.2
68.05819	0.3
69.03416	5.5
69.07063	1.5
71.01334	0.6
71.04973	0.6
73.02901	6.8
79.05469	4.4
80.07948	0.3
81.03400	3.0
81.07038	6.1
83.01340	0.4
83.04964	1.3
83.08620	1.7
85.02888	11.1
85.03358	0.5
87.04456	0.3
91.03935	6.2
91.05459	3.3
93.07018	5.9
95.04962	1.3
95.08578	4.1
97.02863	10.5
97.06522	0.3
99.04467	1.6
101.02373	2.8
103.03941	0.4
105.07011	2.5
107.04960	0.4
107.08567	2.9
109.02897	1.4
109.06546	1.1
109.10153	2.4
115.03936	0.3
117.07025	0.6
119.08555	1.8
121.10087	2.2
123.08047	0.4
127.03891	2.8
129.06992	0.3
131.08585	1.0
133.10139	1.2
135.11700	1.2
136.74734	0.3
145.05049	0.4
145.10147	1.4
147.11703	0.5
149.13290	0.3
158.05382	0.3
159.11723	0.4
163.11272	1.2
173.13208	0.4
174.03772	0.2
185.04282	1.1
193.12288	0.4
203.05396	0.6
205.17316	0.2
243.08380	2.5
249.10942	0.3
335.25958	1.3
337.27197	0.5
338.26810	0.3
347.09396	2.6
365.10651	1.4
405.13574	7.0
467.18893	5.5
519.29224	7.5
547.40283	1.6
548.40320	1.2
629.24274	3.1
681.34540	6.9
745.41040	1.9
770.43396	0.3
773.24274	0.3
907.46442	100.0
908.46552	4.9
925.33185	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5436
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05148	2.3
67.05489	62.1
69.03400	10.5
69.07059	22.4
70.60679	1.6
71.04961	3.6
73.02873	2.2
79.05480	34.2
81.03394	43.2
81.07037	65.4
83.04981	14.6
83.08591	18.8
83.69701	1.8
85.02883	35.6
91.03895	8.1
91.05453	41.5
92.08627	3.7
93.07014	32.5
95.04926	26.1
95.08575	47.8
97.02866	10.6
97.06515	3.1
97.10155	3.8
105.07018	30.6
106.61041	1.8
107.04934	4.6
107.08574	22.1
109.06506	9.4
109.10146	18.7
111.04328	2.6
111.08051	9.7
111.98051	2.1
117.06977	3.4
119.08547	23.5
121.10119	19.5
123.11637	3.5
129.06952	9.0
131.08546	14.0
133.10104	17.8
135.11659	3.3
142.07761	3.1
145.10071	4.1
147.11649	18.8
148.22029	1.9
149.09575	3.5
149.13182	2.2
157.10115	12.5
159.11600	3.6
161.13185	2.7
161.44653	2.2
175.11110	9.5
187.89407	2.2
193.12206	33.7
211.13246	24.8
267.15921	8.8
285.16888	25.2
337.27237	44.7
395.42038	2.0
405.13538	2.4
428.41452	2.4
438.17206	2.3
517.33038	2.2
529.39044	15.9
547.39795	100.0
892.38379	2.1
905.48993	9.4
906.50677	25.2
907.48462	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	906.5767
Annotation	Unknow
Peak:m/z	Relative Intensity
66.26716	2.2
67.05486	29.7
69.07043	9.5
70.58308	1.9
71.08598	16.4
73.02892	2.8
79.05470	41.2
81.03369	3.4
81.07034	28.0
81.99226	2.0
83.04960	9.2
83.08612	5.0
85.10158	5.6
91.05450	24.1
93.07018	40.4
95.04918	10.2
95.08578	20.7
97.10172	3.5
105.07011	20.9
107.08578	4.9
109.06515	2.6
109.10141	11.4
113.69882	2.2
117.06921	8.8
119.08535	15.1
123.11725	3.3
129.06984	10.8
129.93118	2.3
133.10103	4.1
143.08546	4.9
145.10115	2.6
147.11659	17.7
157.98232	2.4
157.99612	2.3
161.13139	3.7
171.11646	12.3
180.11633	2.4
207.13757	9.3
240.13976	2.3
281.17432	34.9
341.30450	30.4
431.76007	3.0
547.43433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	2.6
67.05494	47.4
69.03399	8.6
69.07059	25.1
71.04981	3.1
73.02893	3.7
77.03922	1.9
79.05468	31.1
81.03399	37.9
81.06599	2.7
81.07042	53.7
83.04961	13.6
83.08601	22.5
85.02890	31.4
85.06555	2.2
91.03953	3.2
91.05458	36.6
93.07013	29.8
94.95964	1.6
95.04948	21.6
95.07979	3.1
95.08578	39.8
96.93819	1.6
97.02883	11.4
97.06547	3.5
97.10132	6.0
99.04478	1.5
105.07008	28.4
107.04946	3.3
107.08564	19.0
109.06512	7.8
109.10126	14.0
110.73740	1.8
111.08056	10.7
111.24036	1.6
117.07033	7.2
118.69060	1.6
119.08567	23.3
121.10092	15.0
123.11656	2.5
125.09647	2.3
127.03882	2.8
128.06200	1.6
128.57085	1.8
129.06961	8.8
131.08586	11.6
133.10075	14.4
135.11647	3.0
136.30276	2.0
137.09665	1.7
142.07776	3.3
143.08461	2.3
145.10114	2.6
147.08044	2.2
147.11691	17.6
149.09572	3.5
149.13219	2.0
157.10126	12.9
157.11261	1.7
159.11700	2.2
159.63188	1.7
161.13274	1.9
175.11151	9.9
175.14828	2.0
193.12201	26.8
211.13252	25.9
212.64038	1.7
267.15796	8.1
285.16888	29.7
315.09470	1.7
337.27283	43.1
431.90421	1.8
529.38959	12.5
547.39874	100.0
548.40100	3.4
905.49945	7.5
906.51038	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	906.5417
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	100.0
69.03395	2.0
69.07050	14.3
70.26201	0.9
71.04981	19.3
73.02895	2.4
79.05479	34.5
81.03389	4.0
81.07040	45.1
83.04963	5.8
83.08587	9.1
85.02898	11.9
85.06537	2.0
91.03937	4.4
91.05457	30.0
92.09758	1.0
93.07021	49.0
95.04935	2.4
95.08591	34.0
97.02866	5.7
97.06519	2.2
97.10103	1.4
99.04418	1.9
105.04467	1.2
105.07008	15.9
107.08584	25.9
109.06480	4.1
109.10145	68.5
111.08025	1.7
117.06968	8.4
119.08550	20.8
119.09371	1.5
121.10130	17.4
123.08042	1.5
123.11681	2.2
123.52228	1.1
127.03828	1.4
129.07030	1.8
131.08548	9.8
133.10130	8.5
135.11658	21.4
137.09602	9.5
143.08556	1.7
145.10069	7.8
147.11688	5.8
149.13226	4.9
155.10689	1.8
157.10085	1.4
159.11681	6.2
161.13235	5.1
163.11266	1.9
167.26515	1.0
173.11688	8.4
173.13133	2.1
175.14777	1.3
181.12228	1.7
199.87123	1.0
200.71513	1.0
243.15875	1.3
255.15868	1.7
261.22064	2.3
287.18454	11.4
335.25742	18.2
350.76169	1.3
417.29742	1.3
471.34726	2.1
489.35672	75.4
503.36975	1.4
515.37195	16.4
547.39856	85.3
548.39893	4.7
690.19385	1.1
906.50238	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	905.4857
Annotation	Unknow
Peak:m/z	Relative Intensity
65.40666	0.7
67.05495	6.8
69.03399	6.0
69.07050	1.6
71.04956	0.9
73.02911	6.0
79.05479	7.2
81.03424	3.8
81.07034	7.4
85.02895	9.0
88.91795	0.9
91.03918	6.2
91.05461	4.7
93.07043	4.5
95.04948	1.0
95.08593	4.2
97.02868	6.9
101.02389	1.7
105.07053	4.8
107.08570	1.6
109.02965	0.9
109.12278	0.7
119.08569	1.4
121.10121	1.4
122.10464	0.8
127.03910	1.7
133.10118	1.1
146.12973	1.0
161.13242	0.7
161.86510	0.9
203.05428	0.9
243.08427	3.6
247.13042	1.1
347.09586	3.2
365.10388	1.1
405.13620	6.8
465.20969	6.2
469.51523	0.9
506.23416	0.9
519.29376	4.5
627.26501	1.5
657.61780	0.9
661.00330	1.1
681.34509	7.1
743.43079	1.1
904.48737	1.5
905.48505	100.0
906.48419	1.6
930.51166	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	906.4975
Annotation	Unknow
Peak:m/z	Relative Intensity
64.90591	1.7
65.03901	2.2
67.05495	59.1
69.03397	2.7
69.07056	30.4
71.04976	4.9
71.10118	2.3
74.19572	1.9
74.33640	1.8
77.84452	1.9
79.05476	57.9
81.03403	14.8
81.07040	100.0
83.04966	20.7
83.08607	20.4
85.02885	7.9
85.06538	4.7
91.05463	54.1
93.07023	50.9
95.04940	27.5
95.08582	29.3
97.02832	2.6
97.06495	11.8
97.10174	20.0
99.04417	3.3
99.08031	2.1
100.36936	1.9
105.07019	40.7
107.04940	19.4
107.08591	30.5
109.06509	14.1
109.10143	28.7
111.04431	12.8
111.08059	4.9
115.05425	3.1
117.06995	18.5
119.08557	30.1
120.08784	1.9
121.06464	11.4
121.10129	20.0
123.08046	23.1
125.09623	18.6
128.06194	3.1
129.06970	9.9
130.07751	3.2
131.08534	20.6
133.06456	4.6
133.10097	16.7
135.08028	7.6
135.11668	11.0
137.09543	7.7
141.06976	3.5
143.08577	10.7
145.06421	3.2
145.10135	27.8
147.08017	9.4
147.11659	12.0
149.09624	20.1
153.09100	4.0
153.12814	2.8
153.45638	2.0
155.08568	2.9
157.10085	11.9
159.08052	2.2
159.11656	11.7
161.09583	13.1
161.13292	2.5
163.11147	16.3
169.10104	4.4
171.11655	3.9
173.09578	4.3
173.13104	2.3
175.11098	3.7
177.12830	3.8
181.10036	3.0
181.12219	3.2
184.07346	10.2
189.11174	8.9
227.12772	12.2
229.14326	4.9
245.19153	2.8
273.18503	34.7
275.19931	3.7
291.19449	41.2
309.20627	3.2
347.22061	9.4
352.53351	2.6
365.23196	22.7
383.19720	12.5
383.24258	11.3
401.20749	22.3
509.79105	2.3
673.38507	19.3
691.39728	22.4
709.40796	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	906.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	22.8
69.03403	1.8
69.07052	30.2
71.04975	5.8
71.08598	2.1
73.02887	2.3
74.22954	1.0
79.05470	21.8
81.03391	10.5
81.07030	27.1
83.01341	10.0
83.04968	10.9
83.08597	30.5
85.02881	21.7
85.06565	1.6
85.10175	1.8
91.03948	9.5
91.05453	13.9
93.07014	25.4
95.04935	7.6
95.08575	26.2
96.75943	1.2
97.02843	8.7
97.06515	8.8
97.10143	9.5
99.04427	4.7
105.06995	11.3
107.04906	6.7
107.08583	21.2
109.06506	7.4
109.10142	11.3
111.04401	1.1
111.08018	2.6
111.11707	2.0
117.06982	6.5
119.08529	11.5
121.06517	2.2
121.10114	17.6
123.08015	6.1
123.11675	2.3
125.09541	1.8
127.03915	1.8
131.08524	2.3
133.10118	1.5
135.11661	18.1
145.04941	1.6
145.10091	18.6
147.07999	1.5
149.13261	2.2
153.12730	2.0
155.08536	1.5
163.05972	2.6
163.11111	21.2
173.09579	4.7
181.12279	1.5
191.10724	2.0
209.11743	5.0
227.12801	1.7
283.15329	100.0
327.33868	1.2
339.28848	82.5
347.03064	1.2
547.39844	61.6
548.40222	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5624
Annotation	Unknow
Peak:m/z	Relative Intensity
65.01811	2.2
65.03925	2.6
67.05496	99.1
69.03403	5.5
69.07054	53.9
71.04967	11.1
76.21127	2.3
79.05477	71.5
81.03410	19.7
81.07040	100.0
83.04961	11.7
83.08611	23.2
84.66897	2.2
85.02878	4.8
91.05466	73.3
93.07018	91.8
95.04946	30.2
95.08020	2.5
95.08585	48.8
97.06509	16.8
97.10146	16.1
99.04381	2.7
105.07015	54.1
107.04917	17.6
107.08562	50.8
109.06509	14.9
109.10143	37.9
111.04411	2.8
111.08058	5.4
116.06209	2.3
117.06984	29.5
119.08560	49.0
121.06493	10.4
121.10088	24.5
123.08012	9.8
123.11642	3.4
125.09633	3.1
129.05450	2.4
129.06969	10.8
131.08556	32.4
133.06482	3.0
133.10118	31.9
135.08041	9.4
135.11670	13.4
137.09595	12.2
141.06961	2.8
143.08530	11.0
145.10091	22.1
147.11674	15.4
149.09631	24.2
149.13217	9.4
151.11159	3.4
157.10121	12.0
159.11700	17.6
161.09599	3.5
161.13234	5.3
161.97104	2.8
163.11133	18.4
165.12755	2.7
171.11671	5.7
173.11742	4.8
173.13193	4.9
177.12776	2.8
181.12251	2.7
197.13179	2.8
223.13153	3.4
229.14362	4.8
239.17957	2.8
241.19722	2.4
255.15970	2.9
257.19034	4.9
259.20605	5.6
269.17346	19.8
275.19986	32.6
277.57709	3.2
290.22501	2.7
291.19461	4.9
293.21014	12.8
333.24249	5.0
349.23730	23.8
367.24869	3.3
383.24130	2.9
423.27301	11.7
463.30258	3.0
503.33133	3.5
521.34448	4.3
527.37048	19.3
543.36255	10.2
545.38080	12.1
561.37878	5.5
623.42529	3.4
641.44208	4.3
749.26355	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	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03924	3.1
66.29958	0.6
67.05489	69.5
68.06286	1.1
69.03410	9.0
69.07049	31.7
71.01344	1.5
71.04970	6.8
73.02887	4.2
79.05470	66.1
80.57263	0.7
81.03400	16.6
81.07034	100.0
83.04961	20.9
83.08596	22.5
85.02894	4.2
85.06518	4.8
91.05456	42.4
92.08571	0.7
93.07015	45.1
94.04202	0.8
95.01311	1.4
95.04947	33.6
95.08579	29.5
96.05706	1.2
97.02882	10.5
97.06506	14.6
97.10143	33.3
98.07268	1.2
99.04414	1.2
99.08053	1.9
105.07008	37.3
107.04934	25.4
107.08572	34.7
109.02905	1.8
109.06493	22.5
109.10133	27.6
110.03581	0.9
111.04432	16.1
111.08040	11.8
113.05984	0.8
115.05430	3.6
116.04661	5.2
117.06993	21.6
119.04924	3.1
119.08551	37.5
121.06466	13.5
121.10117	16.8
122.07284	1.6
123.04391	5.7
123.08036	24.4
123.11646	1.7
125.05980	1.2
125.09605	26.1
128.06183	3.3
129.05450	16.9
129.06947	11.7
130.07745	1.2
131.08539	21.3
133.06496	8.3
133.10094	17.9
133.11028	1.6
135.08023	14.9
135.11673	12.5
137.06006	1.6
137.09596	15.4
139.11140	3.1
142.07736	3.6
143.07024	3.5
143.08549	10.2
145.06480	5.2
145.10077	21.1
147.08026	16.6
147.11644	11.8
149.09601	13.7
149.13228	1.5
151.11128	1.6
153.09108	6.3
153.12724	6.6
155.08546	3.9
155.10609	1.0
157.06473	1.1
157.08746	8.5
157.09888	8.8
159.08025	3.8
159.11646	7.0
160.08815	0.9
161.09579	16.8
162.10487	1.3
163.11147	18.2
163.14842	1.0
165.09000	7.0
165.12791	1.0
167.08533	1.1
169.10121	1.7
171.06570	0.9
171.07986	1.3
171.10130	4.6
171.11646	5.2
173.09605	6.3
173.11671	3.1
175.11133	9.1
177.09055	0.9
177.12701	1.8
179.10646	1.0
181.10159	0.9
181.10789	1.0
181.12239	9.9
183.08023	0.9
183.11694	1.6
185.09555	1.7
185.13171	3.0
187.11194	1.3
189.09492	1.4
189.11183	13.6
189.12764	2.3
191.10562	6.1
193.12198	10.0
195.11621	1.4
199.13235	1.8
203.10637	1.1
221.11565	1.6
223.13234	4.3
227.12733	16.2
227.17891	1.6
229.14276	9.8
239.12677	1.9
245.18953	7.1
249.14868	1.8
255.17413	4.5
263.20056	1.0
267.15976	1.4
273.18430	37.6
273.21335	1.7
275.20102	1.2
283.15298	3.0
289.17935	3.5
291.19473	50.9
309.20557	5.3
329.21066	1.1
347.21982	12.0
363.21622	3.8
365.23172	31.5
381.22610	3.0
383.24246	11.3
399.23660	29.1
443.28122	1.2
519.32813	10.4
537.34027	3.5
551.32477	1.0
573.33685	0.9
585.33765	0.9
603.35132	1.1
619.40033	0.8
637.40985	8.7
655.42035	16.0
671.40942	5.2
673.42584	5.0
689.42542	15.5
707.43518	17.1
892.02972	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	904.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
63.82583	0.8
67.05493	40.2
69.03408	2.3
69.07051	12.4
70.67834	0.8
71.04978	4.0
73.02895	2.2
74.48650	0.8
79.05478	38.1
81.02934	1.6
81.03400	38.3
81.07038	44.6
83.04977	11.6
83.08601	16.8
85.02892	27.0
85.06526	1.1
91.03919	6.6
91.05460	30.7
92.08736	1.3
93.07023	39.3
95.04948	18.3
95.08012	1.3
95.08589	27.8
97.02848	9.2
97.06515	4.4
97.10159	2.0
105.07008	25.6
107.04951	4.1
107.08572	18.6
109.06515	4.3
109.10146	11.5
111.08084	5.0
117.06992	4.9
119.08555	18.9
121.10110	18.5
122.79327	0.9
123.08031	2.1
123.11684	3.7
125.09613	1.6
129.06982	7.3
131.08557	13.0
133.10123	14.2
135.11679	5.8
145.04965	1.0
145.10120	6.0
147.07982	2.0
147.11673	11.3
149.09592	5.7
149.13297	1.5
157.10083	9.4
159.11668	1.3
161.13176	2.2
173.13182	1.4
175.11130	8.0
175.14807	1.3
193.12187	23.0
211.13261	21.8
243.21049	1.6
261.22067	5.3
267.15863	5.7
285.16916	30.5
305.52679	0.9
335.25742	51.0
527.37268	12.5
545.38275	100.0
546.38464	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	904.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	1.5
67.05142	1.9
67.05492	49.0
67.05854	2.2
69.03416	4.6
69.07052	12.6
71.04990	3.5
72.53139	0.9
72.99873	0.8
73.02892	4.6
73.56339	0.9
79.05473	44.4
81.03397	60.3
81.07036	59.9
83.04963	12.5
83.08607	19.8
85.02885	35.2
85.06524	1.5
91.03929	8.4
91.05455	36.0
92.09404	2.2
93.07018	37.9
93.94842	1.1
95.04948	24.5
95.08010	1.5
95.08584	35.8
97.02854	7.3
97.06509	5.1
97.10160	4.8
99.08048	1.2
105.07011	29.6
107.04943	5.1
107.08573	25.1
109.06495	6.0
109.10125	12.4
111.08047	7.0
113.05946	1.7
117.06987	5.5
119.08557	26.3
121.06552	1.1
121.10130	20.2
122.74832	0.9
123.08004	1.7
123.11691	6.0
125.09609	1.8
127.03887	2.2
129.06950	10.8
131.08542	18.4
133.06459	1.1
133.10112	15.5
135.11636	7.1
137.09589	2.3
142.07761	4.1
145.04929	1.2
145.10092	5.3
147.08110	1.7
147.11682	11.8
149.09592	4.0
149.13252	1.8
157.10120	11.6
159.11655	2.2
159.52258	1.1
160.49942	1.0
163.05940	1.6
163.11038	1.2
163.14758	1.1
165.12732	3.5
169.09993	1.1
173.13226	1.5
175.11133	12.2
175.14810	1.1
193.12204	31.3
211.13257	43.2
227.50987	1.0
234.03996	1.1
261.21997	7.7
267.15939	10.6
282.82440	1.3
285.16898	55.8
317.24680	1.3
335.25735	53.2
335.29819	2.0
435.32214	1.5
527.37408	11.8
545.38239	100.0
546.38226	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	903.4919
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.1
69.03412	2.8
69.07062	1.1
71.04218	0.5
71.08618	1.3
73.02895	3.9
79.05477	4.7
81.03396	2.2
81.07047	4.7
81.73101	0.5
83.08636	1.1
85.02875	5.7
85.10157	1.0
91.03947	3.4
91.05473	2.5
91.60300	0.5
93.07027	4.7
95.04945	2.1
95.08595	3.5
97.02892	6.6
97.06512	0.6
97.10152	1.0
99.04449	1.0
101.02386	2.3
105.07040	2.4
107.08593	0.9
109.10172	0.9
114.37347	0.6
117.07021	0.7
118.77174	0.6
119.08569	1.8
121.10075	0.7
122.10434	0.6
127.03859	2.9
127.69215	0.5
129.05518	1.2
133.10133	0.6
141.05278	0.7
145.10052	0.6
147.11713	1.1
148.87296	0.5
157.04774	0.8
161.99486	0.5
167.03091	0.5
185.04227	4.7
201.03789	3.3
203.05331	2.5
227.05208	2.0
243.08423	1.1
257.06277	1.2
257.41928	0.6
259.07904	1.1
283.15320	0.6
301.08859	6.5
313.27606	1.1
315.10486	0.7
319.10098	2.6
329.08591	2.4
336.26093	1.0
346.08563	0.6
347.09393	16.2
359.10016	0.6
363.08856	7.7
365.10794	0.7
377.26318	0.7
385.18347	3.1
389.10428	0.7
405.13855	3.2
463.14136	14.7
477.15976	3.4
497.30862	3.9
517.19366	0.9
535.16260	5.8
542.39752	2.9
543.39679	3.1
545.22644	1.8
547.23621	9.8
549.17908	1.1
555.31622	2.9
569.33105	1.2
585.32916	1.1
591.22729	0.9
619.25696	0.7
633.27289	1.0
639.40973	2.4
659.36060	15.0
660.36108	0.6
661.30609	0.9
669.41516	0.8
675.34888	1.1
731.38342	7.0
745.39563	0.9
755.36804	0.6
759.40906	1.3
784.10028	0.6
801.46204	3.4
834.04492	0.7
841.47925	0.7
885.47827	2.0
886.47968	0.9
903.49011	100.0
904.49091	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	902.5101
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	2.6
67.05492	78.4
69.03419	11.3
69.06715	2.9
69.07056	50.3
69.29475	2.1
71.01346	3.5
71.04984	3.6
73.02893	3.2
79.05471	75.9
81.03401	21.3
81.07036	100.0
83.04965	24.4
83.08607	20.6
85.02887	9.1
87.41771	1.9
91.05460	62.1
93.07018	62.5
95.04945	31.7
95.08577	32.5
97.02856	15.9
97.06497	16.8
97.10142	24.6
99.00796	4.7
99.04415	5.0
103.05463	2.4
105.07018	49.4
107.04943	30.3
107.08574	45.9
109.02860	13.8
109.06485	26.2
109.10133	33.3
111.04446	11.7
111.08054	12.0
115.05451	3.6
116.04693	3.9
117.05489	2.6
117.07001	23.8
117.88212	2.0
119.08556	44.5
121.06501	14.0
121.10120	14.7
123.04405	15.7
123.08063	15.3
125.09618	26.0
127.07590	2.5
128.06238	3.2
129.05452	22.6
129.06984	13.9
131.04893	3.3
131.08527	22.9
133.06511	9.5
133.10100	32.4
135.04318	3.1
135.08017	35.5
135.11642	12.9
137.05988	2.7
137.09595	19.4
143.08533	11.6
145.06464	11.8
145.10109	17.0
147.04486	2.1
147.08049	9.0
147.11693	9.4
149.09590	13.5
151.07576	4.6
151.11162	3.9
153.09090	11.8
153.12793	3.7
155.08533	2.9
157.08597	10.6
157.10130	3.6
159.08003	8.7
159.11624	7.9
161.09557	16.7
162.28882	2.0
163.07529	11.6
163.11150	11.2
165.09064	3.0
167.54272	2.0
171.10248	7.3
173.09433	7.0
173.11716	2.5
173.13243	2.3
175.11188	5.0
177.09088	2.2
179.10660	5.0
185.09663	2.5
189.09189	2.8
189.11201	9.2
191.10640	2.9
193.12178	24.9
197.09462	2.3
221.11710	3.6
223.13174	2.9
227.12737	5.0
229.14169	9.1
239.12851	2.7
243.17392	3.2
261.18466	10.5
271.16843	2.8
273.18515	15.9
289.17969	25.5
291.19470	8.8
307.18997	4.7
347.22031	8.0
363.21603	13.1
365.23135	14.5
381.22598	66.3
399.23730	32.1
535.32452	21.3
635.38763	3.2
653.40186	12.6
671.41479	32.3
687.40588	9.5
705.41992	74.6
750.64557	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	902.5099
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	2.2
67.05489	66.8
69.03405	4.4
69.07052	17.6
71.04969	7.1
71.08610	3.1
73.02910	5.9
73.52678	0.5
77.03938	0.5
78.70762	0.5
79.05470	59.8
79.43440	0.5
81.02930	0.9
81.03397	22.9
81.07034	72.2
82.03740	1.3
82.07346	0.7
83.01324	10.7
83.04961	15.2
83.08601	21.5
84.08933	0.6
85.02888	33.7
85.06513	3.3
85.10152	2.7
91.03930	16.4
91.05457	37.3
92.05764	0.7
92.09319	2.4
93.07017	80.6
94.07339	0.7
95.04947	17.0
95.08578	51.5
97.02867	13.7
97.06506	7.5
97.10138	4.9
99.04418	5.1
99.08022	0.6
100.73840	0.6
103.05411	0.6
105.04467	0.7
105.07010	29.2
107.04920	9.8
107.08569	43.4
109.02844	1.2
109.06495	11.6
109.10143	19.8
111.04419	3.0
111.08053	5.0
115.05420	1.0
117.06992	16.1
119.08553	26.3
121.06474	4.1
121.10113	29.0
123.08022	8.9
123.11686	5.4
123.12412	0.6
125.05950	0.9
125.09595	5.1
127.03883	3.9
129.06973	5.1
130.07755	2.6
131.08542	19.1
133.08432	0.5
133.10097	14.2
135.08017	2.8
135.11667	26.4
137.09596	2.8
137.13257	1.4
143.08530	3.9
145.05005	4.0
145.06464	0.9
145.10097	31.5
147.08047	3.5
147.11671	10.2
149.09596	2.8
149.13203	9.8
151.11171	0.6
153.08940	0.7
153.12727	3.2
155.08464	1.2
157.10052	1.4
159.11670	8.5
161.13217	6.0
163.05972	5.4
163.11137	26.8
163.14758	3.8
171.11673	1.0
173.09547	3.0
173.13205	6.5
174.81068	0.6
175.11128	0.9
175.14752	1.3
176.11313	0.6
177.16290	0.9
181.12233	4.2
185.13278	1.1
187.14807	4.2
189.11179	1.3
191.10597	4.2
193.12221	3.5
194.12639	0.7
197.13161	1.0
199.14789	0.7
201.16383	1.3
209.11630	5.9
211.13161	0.7
227.12717	8.4
243.21042	5.1
259.20612	2.0
261.22079	18.9
267.15860	9.1
268.16193	5.6
283.15338	82.3
299.23724	4.2
313.27264	7.7
314.27640	4.6
315.27710	0.9
317.24744	5.0
333.24127	2.3
335.25720	85.5
433.30621	1.3
451.31949	4.5
469.33029	2.8
487.33981	0.8
505.38806	3.6
506.39081	7.1
507.39313	2.5
515.36890	2.3
525.35553	10.9
543.36682	100.0
544.36700	3.2
561.37860	8.3
759.41937	0.8
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
64.33671	0.4
65.03924	1.8
67.05489	56.2
69.03407	5.4
69.07053	15.4
71.01325	1.8
71.04970	5.6
71.08600	1.0
73.02898	7.6
75.13358	0.4
79.05471	51.2
81.02928	0.9
81.03395	18.0
81.03870	0.7
81.07034	65.4
82.03789	0.5
83.01324	11.8
83.04958	15.2
83.08109	0.9
83.08598	21.3
85.02887	30.3
85.06532	2.3
85.10155	0.7
87.04448	0.6
91.03930	15.8
91.05452	32.6
92.64708	0.4
93.07017	67.5
95.04939	14.6
95.08581	48.3
97.02859	14.4
97.06506	9.2
97.10139	5.9
99.04414	4.5
99.08062	0.6
101.02377	0.8
105.04550	0.6
105.07008	26.0
107.04932	10.3
107.08572	40.9
109.02828	0.8
109.06505	9.9
109.09380	0.8
109.10136	18.7
111.04420	3.8
111.08060	2.9
111.11679	0.5
113.09552	0.6
115.03917	0.7
115.05428	0.5
117.06982	17.1
119.08551	23.1
121.06468	4.3
121.10116	28.0
121.69261	0.5
123.08041	12.7
123.11687	7.1
125.05970	2.4
125.09576	4.3
127.03885	5.2
128.06245	0.7
129.06950	4.1
130.07736	2.0
131.04881	0.7
131.08536	16.5
133.10107	10.6
135.08025	4.4
135.11664	25.6
137.09593	2.9
137.13216	0.9
139.07532	1.0
139.11137	0.5
143.08572	3.2
145.04944	4.8
145.06480	1.1
145.10095	28.2
147.07997	3.0
147.11662	7.1
149.09625	1.8
149.13242	6.6
153.12740	4.6
155.08524	3.7
157.10080	2.3
159.08034	0.6
159.11664	7.6
161.13199	3.9
163.05965	4.7
163.11150	34.2
163.14777	3.8
165.09053	0.6
169.10039	0.6
171.11653	0.8
173.09566	5.4
173.13228	7.1
177.16364	0.8
181.12192	4.4
185.13179	1.9
187.14816	3.3
189.11223	2.6
189.16333	0.6
191.10640	3.1
193.12225	3.1
197.13214	0.6
199.14896	0.7
201.16386	0.8
209.11649	7.3
209.13345	0.6
211.13237	2.3
227.12730	9.3
243.21088	4.0
259.20557	2.1
261.22052	15.3
267.15839	4.0
283.15341	100.0
284.15784	1.0
285.16684	0.7
297.21884	0.7
299.23642	4.5
313.27383	2.5
314.27469	1.9
315.28143	0.8
317.24750	5.0
333.24060	3.0
335.25723	69.9
421.25156	0.5
433.31003	2.0
447.60098	0.5
451.31921	4.9
469.33035	3.2
487.33850	0.9
505.38379	1.9
506.39294	1.7
507.39340	1.8
507.87759	0.6
515.37024	0.8
524.85577	0.5
525.35547	9.3
543.36682	76.3
544.36847	1.1
561.37854	8.6
590.39148	0.6
640.58704	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	902.458
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03918	2.4
67.05489	100.0
68.80389	1.2
69.03414	10.2
69.07063	10.6
71.01340	1.6
71.04971	14.5
79.05048	2.6
79.05471	39.9
79.05901	2.2
81.03396	69.1
81.07038	48.6
82.03761	1.3
83.04964	23.5
83.08601	30.6
85.02886	33.2
85.06516	5.4
87.04451	27.6
91.03944	6.5
91.04890	1.6
91.05458	46.7
93.07015	24.3
95.04946	30.9
95.08575	15.1
97.02881	12.4
97.06528	6.4
97.10162	12.8
97.96459	1.2
99.04431	14.3
105.07003	31.7
107.04932	10.6
107.08586	13.4
109.02859	1.4
109.06510	2.6
109.10142	72.5
111.04408	4.9
111.08092	11.0
113.05972	1.5
117.06979	2.3
119.08557	26.3
121.06441	3.0
121.10110	11.6
123.08039	2.0
123.11669	1.8
125.09590	8.9
129.06966	15.3
131.08543	18.0
133.06470	2.1
133.10101	12.9
135.08017	2.5
135.11649	1.8
137.09586	5.4
145.05028	1.6
145.10172	6.4
147.08055	2.5
147.11674	17.7
148.81194	1.3
149.09621	7.7
155.10593	2.0
157.10078	14.0
163.07649	1.7
163.11151	5.8
165.12624	1.7
173.11711	18.0
175.11116	14.6
193.12213	39.7
209.28931	1.2
211.13232	46.9
227.12749	5.3
229.14261	43.1
229.16463	1.8
267.15845	24.5
283.15408	2.9
285.16910	37.6
315.18063	5.6
385.23615	1.7
409.25961	2.4
421.25806	17.6
427.26703	5.8
439.20782	3.2
439.26825	93.3
440.27307	2.3
475.26596	9.5
493.27786	2.1
525.30353	8.1
543.31262	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	902.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	1.5
67.05145	1.6
67.05492	36.5
68.34875	0.7
69.03405	6.7
69.07055	10.0
71.01331	1.3
71.04964	4.6
73.02887	6.1
79.05474	38.8
81.03397	100.0
81.07036	34.5
81.07516	1.1
82.03741	1.4
82.04182	2.6
82.07873	0.8
83.04966	22.7
83.08601	27.4
85.02497	0.7
85.02896	11.9
85.06519	1.7
87.04449	0.9
91.03930	4.6
91.05460	38.5
92.09325	1.6
93.07018	26.0
95.04946	41.7
95.08582	13.4
97.02881	10.7
97.06502	11.8
97.10151	17.8
98.07294	5.1
99.04426	1.5
99.08052	3.0
105.07010	24.1
107.04932	21.3
107.08572	18.8
109.02862	2.6
109.06502	8.3
109.10139	12.6
111.04420	10.3
111.08056	11.2
112.13872	0.7
113.05938	1.0
115.05456	1.6
116.04695	10.4
117.05504	2.8
117.06987	7.5
119.04908	1.3
119.08556	25.5
119.31370	0.8
120.09255	0.7
121.02834	5.1
121.06509	7.1
121.10120	12.1
123.04399	3.2
123.07979	6.3
125.09608	14.0
127.03884	0.9
127.11185	0.8
128.06232	1.1
129.05453	30.1
129.06950	15.6
131.04956	1.2
131.08534	13.7
133.06477	5.7
133.10081	10.3
135.04349	3.9
135.08023	6.1
135.11653	10.6
136.08778	0.9
137.09570	3.6
141.06866	1.1
142.07706	3.3
143.07024	6.7
143.08545	1.8
145.06433	1.8
145.10133	7.4
147.04404	1.8
147.08041	5.4
147.11649	11.1
149.06010	1.1
149.09579	7.7
153.09090	1.3
153.12698	10.6
157.08574	14.3
157.10106	13.1
159.07994	1.2
159.11667	1.3
163.11140	13.8
164.11807	0.7
165.12701	1.5
171.10117	4.9
171.11511	0.9
173.11720	1.6
173.13193	0.8
175.11147	15.0
181.12180	8.4
183.11697	1.3
185.11781	1.6
187.10988	0.8
189.11182	11.3
191.10622	5.1
193.12209	31.8
194.12521	1.5
199.11305	0.9
199.13287	3.8
200.14067	0.9
201.12700	3.0
201.14771	3.7
205.12222	1.8
207.66464	0.7
209.11691	4.2
211.13242	8.8
212.13574	0.9
213.12885	0.9
219.13728	3.5
223.13202	1.0
227.12729	29.4
229.12213	1.9
229.14304	10.2
231.13808	1.5
235.13148	1.0
247.10934	1.3
247.13246	21.3
249.14876	3.3
255.16019	1.2
259.13196	1.0
265.14368	1.2
267.15845	64.4
268.16187	3.3
283.15350	16.2
285.16800	1.7
301.16470	22.5
321.16898	11.1
339.18002	3.2
355.22690	0.8
383.22015	3.6
401.22974	1.9
406.50726	0.8
419.24295	0.9
421.25769	1.0
432.38925	0.9
457.25583	1.3
459.27176	3.7
460.27591	1.4
475.26837	18.0
476.27432	3.2
477.28369	1.4
478.28116	2.4
493.27884	25.6
494.27710	0.9
495.29462	1.1
496.29739	3.0
497.29718	1.7
525.30438	4.4
535.28796	1.3
640.33679	1.4
640.55249	0.9
641.33966	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5307
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03930	3.5
67.05492	55.5
69.03387	1.1
69.07056	14.7
71.04971	2.3
71.08618	1.7
73.02909	2.3
79.05475	67.8
81.03411	6.6
81.07038	56.7
83.04964	10.7
83.08605	8.9
85.02886	6.6
85.06512	1.3
91.03938	4.7
91.05460	51.3
92.09318	3.1
93.07023	71.1
95.04955	18.4
95.08583	37.5
96.05806	0.9
97.02878	1.7
97.06517	5.2
97.10129	3.8
103.05457	1.3
105.04514	1.7
105.07011	35.4
107.04945	4.4
107.08572	23.6
109.06495	5.5
109.10152	10.7
111.08030	1.0
117.07010	8.9
119.08562	24.7
121.06525	1.4
121.10135	12.9
123.08049	4.4
123.11680	1.1
128.06168	1.1
129.06969	14.3
131.08539	7.9
133.10109	12.2
135.11633	7.0
143.08534	7.4
145.10078	9.7
147.08124	1.4
147.11659	29.0
149.09518	0.9
149.13181	1.9
150.11258	0.9
157.00021	1.0
159.11679	2.3
161.09666	1.3
161.13264	6.6
169.10103	1.1
171.11653	15.6
172.81355	1.1
189.12663	6.9
207.13824	12.7
219.17349	1.0
261.22156	5.6
279.15814	1.4
281.17426	45.8
291.10223	1.0
313.27393	1.9
335.25748	32.7
506.90958	1.2
523.37573	1.7
541.38800	100.0
542.38751	2.3
559.39764	4.4
578.42847	1.4
644.68530	1.1
844.28265	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.5514
Annotation	Unknow
Peak:m/z	Relative Intensity
65.98970	0.8
67.05496	20.0
69.03419	1.9
69.07056	12.4
71.04952	1.4
71.08239	1.2
71.08614	25.8
73.02901	3.1
79.05479	14.1
81.03398	80.8
81.06593	1.5
81.07037	28.6
83.04963	5.4
83.08605	23.9
85.02884	8.6
85.06523	1.2
85.10170	16.6
85.91856	0.8
89.06010	1.3
91.03935	5.2
91.05463	15.2
93.07020	11.4
95.04950	22.8
95.08587	22.0
97.02864	8.0
97.06495	2.0
97.10154	7.1
103.07529	0.9
105.07011	11.8
107.04950	7.6
107.08581	6.2
109.06475	3.9
109.10132	9.5
111.04430	4.0
111.08078	5.1
111.11754	0.9
115.05403	1.0
117.07027	1.7
119.08566	12.4
121.06508	1.4
121.10119	6.5
123.04342	1.3
123.07992	1.0
123.11678	3.4
127.03905	1.1
129.06992	8.1
131.08536	9.1
133.06532	3.3
133.10115	4.6
135.11653	3.2
137.13200	0.8
137.40816	0.9
142.07776	1.2
145.06650	1.0
145.10069	3.7
147.04366	1.1
147.08018	3.8
147.11656	5.9
149.09621	5.9
153.12761	1.3
157.10127	8.5
163.05986	1.4
163.11168	3.3
165.05661	0.8
165.12817	1.3
173.09578	1.5
175.11153	8.7
192.11026	0.8
193.10507	1.3
193.12204	29.0
209.11526	1.2
218.71899	0.9
223.13304	1.3
235.13263	1.0
239.23601	3.6
241.10548	0.8
257.24719	1.9
259.13226	0.9
266.14755	1.2
267.15860	89.6
268.16104	1.2
283.15344	5.2
284.15689	3.3
291.19342	1.2
301.16565	1.7
302.16626	1.5
309.16913	1.9
313.27301	100.0
314.27765	4.5
416.61703	0.9
505.38788	82.1
506.39008	1.1
521.38196	0.9
522.38702	1.3
523.39594	4.5
540.39673	2.9
547.39453	5.4
601.41272	1.4
631.41705	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4792
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	1.3
67.05489	30.4
69.03403	7.3
69.07054	7.7
71.04976	7.9
73.02880	1.5
79.05470	32.9
80.81986	0.6
81.03396	100.0
81.07038	38.3
82.07354	0.7
83.04459	0.8
83.04962	24.5
83.08600	27.8
85.02885	31.3
85.06519	1.2
87.04440	1.0
91.03937	1.3
91.05460	53.2
93.07020	23.5
93.07622	0.7
95.04945	36.9
95.08581	13.0
97.02873	8.9
97.06495	6.6
97.10146	6.8
99.04423	0.9
99.08091	1.6
102.18569	0.6
105.07013	38.7
107.04930	11.4
107.08562	10.7
109.02851	2.7
109.06495	8.0
109.10129	4.3
111.04404	5.2
111.08064	13.2
113.05982	4.1
115.05433	2.9
117.06998	1.5
119.08559	32.6
121.06477	4.3
121.10117	14.9
122.28893	0.6
123.04379	0.8
123.08032	4.0
123.11660	3.0
125.05894	1.0
125.09643	4.9
127.03889	2.4
127.07492	0.9
128.06201	1.0
129.05481	1.0
129.06967	19.8
129.07912	0.7
131.04846	0.8
131.08545	19.9
133.06477	4.7
133.07358	0.7
133.10104	18.6
137.05995	0.9
137.09604	1.4
141.06924	0.7
142.07790	4.9
143.08618	1.0
145.06474	1.2
145.10040	4.8
147.08018	5.4
147.11670	24.5
149.09613	10.4
151.11195	0.9
155.08479	1.1
157.06479	0.9
157.10098	24.4
163.11169	3.6
165.12730	3.6
170.94350	0.6
175.11150	21.3
181.10193	0.7
181.12195	1.1
183.11472	0.7
189.11156	1.4
193.12202	52.7
211.13251	38.6
229.14169	1.0
249.14812	1.5
267.15848	48.5
273.14798	2.7
285.16919	26.2
319.15326	0.7
337.16373	1.0
349.21292	1.1
367.22635	3.3
385.23535	4.1
398.24918	0.7
403.24573	2.4
411.20132	0.9
429.21182	7.4
433.25620	3.5
441.26294	3.0
459.27304	46.2
460.27823	1.1
477.21283	1.1
477.28351	43.3
495.29413	46.4
495.36734	1.5
519.29565	1.4
585.30066	2.7
603.31073	2.9
621.32770	8.5
639.33691	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	900.4786
Annotation	Unknow
Peak:m/z	Relative Intensity
62.67805	2.0
67.05140	3.8
67.05489	99.0
69.03419	18.1
69.03722	1.9
69.07053	27.3
71.04978	17.2
73.02887	2.7
73.42387	2.4
79.05466	70.5
81.03400	75.1
81.07034	100.0
81.52030	2.4
83.04952	28.6
83.08598	23.4
85.02879	27.6
85.06516	4.2
87.04443	3.6
87.74825	2.1
91.03919	2.8
91.05465	47.7
93.07027	61.5
95.04941	28.9
95.08564	27.7
97.02867	21.3
97.06504	19.3
97.10142	12.8
98.03632	5.6
99.04428	5.2
99.08086	3.5
105.06996	26.8
107.04929	20.2
107.08575	43.3
109.02853	9.4
109.06486	5.4
109.10147	26.6
111.04438	4.8
111.08035	5.8
117.06981	16.3
118.35073	2.2
119.08540	25.8
121.06463	4.6
121.10110	22.4
121.10897	2.5
123.04366	3.7
123.08061	4.3
123.11691	5.6
125.09624	11.5
125.33832	2.3
127.03870	10.4
127.07587	2.7
129.05435	2.6
129.06953	10.0
131.08513	21.2
133.06468	3.7
133.10106	20.3
135.08017	4.1
135.11653	16.2
137.09642	3.1
145.10097	10.4
147.08058	3.7
147.11664	5.3
149.09639	3.9
149.13245	16.6
153.12724	4.6
157.10080	3.7
159.11674	5.2
163.11136	5.9
165.49001	2.4
169.59044	2.5
173.04410	10.5
173.09575	2.8
173.11728	3.3
177.12663	2.6
183.12259	2.4
189.11079	2.4
191.10620	4.5
193.12201	4.3
195.01974	2.7
195.13867	4.8
199.06009	4.7
199.13197	3.5
209.11647	3.9
211.13254	4.1
219.13324	2.6
227.12704	9.7
229.14238	5.1
235.33844	2.2
267.15863	5.0
269.17386	35.8
283.15341	19.1
315.32220	2.7
365.26965	2.8
403.09830	2.4
411.27649	3.5
423.27274	68.1
449.28690	4.3
459.26822	3.1
461.29175	3.4
477.28171	15.8
495.29361	16.2
567.31165	4.6
621.32593	3.3
639.33630	4.5
925.94836	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	900.4405
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	78.6
69.03414	3.9
69.07053	12.9
70.89780	3.0
71.01345	4.1
71.04975	13.5
74.81654	2.7
75.86465	2.5
77.07911	3.1
79.05465	37.3
81.03384	42.6
81.07037	50.0
83.01338	3.8
83.04949	19.8
83.08606	34.0
83.75077	3.0
84.25182	3.5
85.02880	20.9
87.04444	33.7
91.03934	6.3
91.05473	32.0
93.07035	34.7
94.12597	3.3
95.04952	25.8
95.08578	17.0
97.02835	6.0
97.06484	7.3
97.10140	22.1
99.04433	12.9
105.07014	16.6
107.04944	23.0
107.08563	20.5
109.06485	6.0
109.10128	51.4
111.04404	4.3
117.06960	13.3
119.08562	14.5
120.70147	3.0
121.06493	3.8
121.10134	7.1
121.47979	3.2
123.08021	6.4
125.09588	7.7
127.03899	3.5
129.06952	3.8
131.08519	7.8
133.10089	7.3
135.11630	7.0
145.10086	16.1
147.11606	4.5
153.77074	3.5
163.11102	28.4
173.09590	5.1
173.11642	13.7
175.11124	5.9
181.11998	3.9
193.12297	4.9
199.13295	3.6
209.11667	5.5
227.12634	5.0
229.14275	39.1
267.15802	20.0
283.15341	55.0
425.25208	15.4
436.72281	4.1
437.19733	6.2
437.25223	100.0
459.27170	16.9
477.28204	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	899.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
65.37962	0.3
68.99767	8.1
72.00739	0.3
79.01820	3.5
81.30874	0.3
91.05428	0.3
95.04914	0.6
97.02853	0.5
105.03368	0.6
106.03641	0.3
107.01283	0.7
109.02830	0.9
111.00789	5.1
111.04421	0.5
115.05459	0.5
117.07050	0.4
119.04902	0.8
121.02869	0.4
123.04400	34.0
125.02337	3.4
127.03891	6.1
131.04935	0.5
133.02840	1.4
133.06419	0.4
135.04425	1.5
139.02795	0.6
139.03873	18.2
141.06992	0.4
143.03375	8.4
143.04482	0.6
143.04900	0.5
145.02788	0.5
145.06512	1.5
147.04375	7.4
149.02357	1.7
149.05983	0.7
150.03085	0.4
151.03867	14.6
153.01801	100.0
153.02817	4.4
154.02112	0.4
155.04865	0.5
157.06487	1.7
159.04370	1.4
160.09914	0.3
161.02321	0.6
161.05966	1.8
163.03857	5.7
165.05450	1.7
167.03442	0.7
167.04893	0.6
169.06429	1.3
171.04398	4.3
173.05959	4.1
175.03871	9.8
177.01796	0.5
177.05396	2.9
179.03349	9.7
179.04840	0.6
181.04948	0.4
183.04437	1.5
185.05962	4.5
187.03847	2.3
189.05444	5.8
191.03334	2.5
193.04904	2.5
197.05943	2.6
199.03862	9.6
199.05566	0.6
200.04352	0.4
201.05411	6.1
203.03357	14.4
203.07027	0.4
205.04921	1.4
209.06021	0.5
211.03934	1.9
213.05414	8.4
215.03409	1.8
215.06920	0.5
217.04915	6.7
219.06496	2.9
223.04025	0.6
225.05408	1.8
227.03300	2.9
229.04880	5.3
231.06494	2.3
233.04414	0.6
237.05447	0.5
239.03371	0.5
241.04886	6.1
243.06525	0.8
245.04384	13.0
247.05965	1.8
253.04877	2.3
255.06364	0.7
257.04404	7.8
259.06003	3.8
263.05450	4.0
269.04373	8.2
271.05927	8.3
273.07434	1.9
275.05399	4.2
281.04462	1.5
283.05994	2.4
287.05420	86.6
288.05621	1.7
291.08493	0.5
297.03986	1.5
299.05429	16.3
303.04932	1.3
305.06540	0.8
311.05353	2.6
317.06375	0.5
331.04370	1.9
407.07516	0.5
409.09082	4.9
425.08591	13.1
433.08868	0.7
443.09555	0.5
520.27106	0.5
559.12244	0.5
579.11444	0.4
595.10834	0.5
728.97095	0.4
769.03455	0.4
865.23865	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	898.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03925	1.2
67.05493	29.0
69.03422	2.0
69.07054	11.4
71.04968	1.3
71.08624	23.9
73.02888	4.7
73.32928	0.8
79.05480	20.7
81.03395	7.0
81.06602	1.3
81.07043	25.4
83.04987	11.2
83.08594	9.5
85.02900	18.2
85.10173	12.8
91.03940	7.8
91.05460	15.3
91.28472	0.9
92.09294	1.3
93.07031	22.7
95.04942	9.8
95.08593	26.8
97.02872	15.9
97.06495	6.1
97.10139	4.5
99.04414	1.7
103.07592	1.3
105.06995	8.1
107.04922	12.0
107.08580	13.0
109.02844	1.2
109.06509	2.1
109.10153	12.9
111.04436	14.7
111.08038	1.9
113.05959	1.1
117.06992	8.7
119.08568	8.5
121.06482	2.3
121.10149	8.0
123.04404	1.8
123.11708	4.7
127.03897	3.7
129.07050	1.7
130.07791	1.8
131.04936	1.0
131.08557	6.5
135.11662	15.2
137.09544	1.9
145.04892	2.0
145.06416	1.4
145.10109	15.5
149.09648	4.0
155.08543	2.3
163.05980	1.4
163.11156	16.1
173.09618	6.0
176.19496	1.3
181.12115	1.4
191.10593	11.1
205.18709	1.2
209.11693	22.2
227.12749	2.0
239.23663	2.2
255.15843	6.3
257.24683	1.3
265.14374	1.2
283.15359	100.0
296.58545	1.0
301.16364	5.8
313.27338	82.4
428.44971	1.3
497.41571	1.1
521.38251	62.9
522.37512	1.2
539.39197	17.7
683.42712	1.3
837.05188	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.557
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	24.7
69.03410	4.7
69.07059	11.4
71.04974	3.7
71.08611	24.1
73.02895	6.0
75.63836	0.7
79.05471	20.3
81.03399	49.9
81.07035	33.6
83.04961	13.8
83.08604	22.9
85.02890	33.2
85.06503	0.8
85.10169	10.6
91.03925	7.4
91.05463	24.0
93.07014	13.5
95.04957	20.1
95.08577	24.3
97.02870	8.6
97.06499	4.2
97.10123	7.7
99.04374	0.9
105.07011	19.8
107.04919	5.6
107.08566	5.9
109.06519	4.4
109.10120	7.8
111.04471	1.1
111.08035	5.9
111.11623	1.0
113.05997	1.4
119.08545	17.6
121.06482	0.9
121.10092	5.5
123.08063	1.5
123.11697	4.8
127.03912	2.8
129.06990	8.9
131.08531	8.9
133.06494	1.8
133.10094	10.3
137.09578	0.9
142.07785	1.5
145.04884	1.2
145.10185	1.0
147.08012	1.6
147.11652	12.4
149.09677	5.2
157.10109	11.1
163.06020	1.0
165.12750	1.8
175.11130	11.2
176.26178	0.7
193.12199	33.0
193.32600	0.8
211.13245	37.9
213.93317	0.8
253.25154	1.2
267.15918	12.4
271.26248	1.3
285.16891	49.2
327.28876	61.1
519.40387	11.1
537.41406	100.0
538.41577	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	898.4633
Annotation	Unknow
Peak:m/z	Relative Intensity
63.92485	1.2
65.43655	1.2
67.05490	33.6
69.03414	14.5
69.07050	11.1
71.04978	12.0
73.02873	2.9
79.05473	44.9
81.03397	100.0
81.07038	35.9
83.01324	5.9
83.04971	26.3
83.08597	25.6
85.02895	30.2
85.06537	1.9
87.04443	1.6
91.03945	3.1
91.05460	51.4
92.32610	1.5
93.07027	38.0
95.04941	26.8
95.08589	18.6
97.02869	17.5
97.06514	12.3
97.10157	3.0
99.04404	6.4
99.08057	2.3
105.07008	32.4
107.04946	29.6
107.08582	18.3
109.02869	10.5
109.06518	10.2
109.10132	6.3
111.04435	12.5
111.08041	11.5
113.05997	3.1
115.05355	1.4
117.06987	13.1
119.04857	1.8
119.08553	24.4
121.06483	2.9
121.10140	17.6
123.04426	1.6
123.08030	8.4
124.31079	1.4
125.09648	5.5
127.03905	11.8
129.06966	15.2
131.04927	3.0
131.08539	12.8
133.06468	2.4
133.10114	12.0
135.04367	1.8
135.08063	2.2
135.11653	16.0
145.06445	2.5
145.10089	15.2
147.07999	6.1
147.11644	15.0
149.05939	2.1
149.09598	8.0
153.12709	16.2
155.08559	2.0
157.10095	17.7
163.11136	23.0
165.12721	2.0
173.09579	3.4
175.11139	14.2
181.12250	7.9
191.10667	6.4
193.12206	32.0
209.11665	3.4
211.13261	24.1
226.11649	2.0
227.12732	10.1
228.51382	1.6
265.14282	7.6
267.15872	19.7
283.15424	14.0
285.16980	19.3
353.15765	3.4
376.40182	1.5
407.23874	1.7
427.19495	21.3
457.25671	8.7
475.26871	38.2
493.27850	53.3
583.28784	2.1
619.30963	17.9
637.32086	69.7
655.33130	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	894.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
62.43655	1.0
65.56226	0.9
67.05140	1.7
67.05487	35.5
69.03407	7.7
69.07051	16.5
71.04948	3.5
71.08609	23.6
73.02902	6.9
73.99600	0.9
79.05470	28.5
81.03405	12.7
81.07034	38.3
83.04971	7.0
83.08595	17.0
85.02880	22.7
85.06507	1.9
85.10170	11.9
86.20748	1.0
89.06004	1.0
91.03935	13.7
91.05453	19.3
93.07016	25.0
95.04933	19.7
95.08579	27.9
97.02868	8.8
97.06519	3.9
97.10142	21.5
99.04412	1.2
103.05397	1.1
105.07028	8.3
107.04947	7.5
107.08569	17.0
109.06493	2.1
109.10136	17.9
111.08065	2.3
117.06999	11.0
118.63199	1.0
119.08554	5.4
121.06493	6.1
121.10088	4.6
123.04397	1.0
123.08012	1.9
123.11633	2.1
125.09595	13.0
127.03875	1.9
129.06941	1.5
131.08536	8.3
133.10091	6.5
135.08034	6.2
135.11620	1.2
135.64299	1.0
141.06973	1.6
143.08546	2.1
145.04936	2.2
145.10117	4.0
149.13217	4.0
153.09038	1.4
158.79395	1.0
159.07956	1.2
159.11656	6.8
161.09581	1.4
163.06006	1.1
163.11047	1.1
169.10081	1.8
173.11742	1.1
177.12732	2.4
187.11087	1.8
189.11137	7.8
205.12231	2.3
223.13246	41.2
224.13759	1.2
227.12724	6.2
229.14345	1.8
239.23695	1.6
244.61574	1.0
257.24677	1.2
279.15836	1.5
297.16895	100.0
313.27255	60.6
467.37204	6.5
517.38800	1.2
535.39807	66.3
543.61224	1.2
553.40771	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	896.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	16.4
69.03409	1.4
69.07053	8.1
71.01369	1.3
71.04997	0.8
71.08616	24.1
73.02908	4.6
79.05479	7.5
81.03397	4.3
81.07037	21.9
81.07475	1.2
83.04954	1.4
83.08607	19.0
85.02890	13.0
85.06533	1.5
85.10169	12.2
87.04455	1.2
89.06045	1.0
90.77321	0.9
91.03945	9.1
91.05462	18.2
93.07022	16.2
95.04958	4.1
95.08579	22.2
97.02859	10.9
97.06516	3.1
97.10135	5.7
99.00797	19.6
99.04443	2.0
105.07015	15.8
107.04912	6.8
107.08582	8.4
109.02869	12.5
109.06540	2.0
109.10140	11.2
111.04451	1.2
111.08066	4.2
115.03907	3.7
117.07001	3.4
119.08564	10.8
121.06492	8.5
122.65260	0.9
123.08037	1.0
123.11703	5.4
124.05904	0.9
127.03916	5.6
128.06230	0.9
129.06961	1.1
131.08545	3.2
133.06433	1.1
133.10109	41.0
135.04399	0.9
135.11745	1.3
136.87259	1.0
137.09578	1.6
139.07512	1.8
143.08560	4.9
145.04982	1.3
145.06456	0.9
151.11180	13.0
161.09589	27.4
171.08009	5.2
179.10623	14.9
189.09079	15.1
197.11705	4.2
207.10144	5.7
225.11191	12.2
239.23763	1.4
243.12328	1.0
257.24719	3.7
271.95020	0.9
281.13770	20.0
299.14838	100.0
313.27316	91.4
519.36224	1.3
537.37744	70.2
562.65588	0.9
742.55359	0.8
803.86530	0.9
850.29486	1.0
893.38843	0.9
933.44403	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	893.485
Annotation	Unknow
Peak:m/z	Relative Intensity
65.42101	0.8
67.05495	4.8
69.03412	3.7
69.07047	4.7
71.07395	0.8
73.02903	4.4
79.05460	6.4
81.03412	5.5
81.07038	8.7
83.04974	1.2
83.08601	1.6
85.02894	4.7
86.09692	11.9
91.03938	1.8
91.05470	5.1
93.07043	5.0
94.79192	0.9
95.04964	1.6
95.08591	3.5
97.02879	5.7
97.10150	2.1
98.98478	1.7
99.04456	1.5
101.02366	1.0
104.23773	0.8
105.07043	4.5
106.91837	1.0
107.04935	1.3
107.08590	4.9
109.06509	1.6
111.04430	1.1
119.08564	2.0
121.06497	1.7
121.10126	1.7
121.54378	0.8
123.08105	1.0
124.99952	9.1
125.09624	4.2
127.03901	1.8
129.07014	1.4
130.97034	0.9
131.08546	1.9
133.10068	1.3
137.05862	0.9
147.11624	1.0
148.69922	0.8
151.07561	3.3
163.11111	0.9
184.07306	26.8
185.07758	1.1
243.08466	5.4
259.46463	0.9
282.55856	1.2
301.08987	1.4
302.25818	1.2
316.94193	1.1
337.52716	1.0
349.19778	4.1
371.16721	1.2
405.22253	1.5
567.27649	17.7
619.61957	0.9
639.30103	1.1
679.51453	1.2
893.48456	100.0
894.47974	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	894.541
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05499	18.3
69.03410	3.0
69.07047	9.2
71.04980	3.8
71.08616	23.1
73.02895	4.6
79.05483	15.9
81.03401	11.4
81.07046	28.4
83.01331	9.6
83.04958	4.3
83.08585	18.0
85.02886	21.3
85.10159	15.8
91.03949	10.5
91.05468	10.5
92.08665	7.0
93.07022	26.9
95.04970	5.3
95.08567	24.2
97.02876	11.0
97.10170	9.6
99.04410	3.1
105.07005	15.1
107.04953	3.8
107.08604	18.3
109.06507	5.4
109.10148	11.2
111.04381	2.1
117.06981	9.7
119.07808	2.1
119.08566	13.8
121.10146	8.8
123.08063	3.7
131.08548	3.4
133.10130	3.0
135.11676	10.3
145.10120	15.8
153.12672	2.9
163.11172	22.1
172.49551	2.4
173.09665	3.8
181.12151	3.4
209.11667	5.4
283.15347	100.0
327.28891	91.5
515.99414	2.3
535.39838	68.0
670.43402	2.7
825.72363	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	891.4186
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	2.9
69.03426	7.2
70.77860	1.1
71.05003	1.9
73.02909	6.6
79.05488	4.4
81.03413	9.4
81.07046	5.9
83.04989	1.5
83.08591	1.3
85.02893	11.8
86.78626	1.4
90.07176	1.3
91.03939	5.5
91.05483	6.1
93.07050	5.7
95.04968	5.0
95.08624	2.6
97.02867	11.4
101.02348	2.9
105.07007	2.5
107.08598	1.3
109.02837	1.9
119.08591	2.8
121.10162	2.0
127.03879	2.2
129.06950	1.4
131.08546	1.6
133.10129	1.6
137.06000	2.0
157.10153	2.1
161.54195	1.5
175.11137	2.4
185.04243	1.7
193.12277	2.6
203.05376	1.6
205.08961	1.2
211.13382	1.9
243.08414	2.2
267.15948	1.8
274.70898	1.7
283.15359	2.2
297.11279	1.3
317.82889	1.3
347.09540	2.6
361.46106	1.3
405.13931	6.6
469.20239	12.4
501.23004	10.1
631.26050	7.1
663.28247	6.3
703.53485	1.4
729.36383	2.2
891.41718	100.0
892.42242	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	891.4707
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05485	10.2
69.03436	2.3
69.07063	3.3
73.02911	3.1
76.56255	1.4
79.05474	11.2
81.03409	1.5
81.07036	11.4
83.04991	1.9
83.08629	2.4
85.02869	5.1
88.79428	1.4
91.03930	2.1
91.05470	11.1
93.07043	8.1
95.04987	2.9
95.08585	3.2
97.02908	2.4
97.10138	1.4
105.07050	7.6
107.04943	2.4
107.08601	2.8
109.02853	1.6
109.06490	1.7
109.10168	3.4
117.07074	2.3
119.08611	3.7
121.06586	1.5
121.10152	3.5
127.03935	1.6
131.08615	2.8
133.10120	2.4
135.11780	1.5
145.10127	2.1
147.11711	1.8
149.09627	1.8
151.07562	1.9
184.07500	2.5
205.08946	1.4
243.08435	5.5
285.10101	1.9
311.26770	1.9
337.31189	1.5
374.98630	1.7
565.26367	3.4
567.28033	7.2
891.46967	100.0
892.47284	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	893.4869
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05473	11.8
69.03398	3.6
69.07039	5.3
70.95101	2.2
73.02905	3.7
79.05457	13.9
81.07035	16.1
85.02927	9.0
86.09660	3.6
87.23597	2.3
89.12153	2.1
91.03921	4.3
91.05461	11.3
92.08984	9.8
92.63958	2.1
93.07014	18.5
95.08582	4.6
97.02849	3.1
105.06992	15.6
107.08547	10.4
109.06509	5.5
119.08530	9.8
129.05481	3.9
131.08574	5.2
133.10074	3.5
145.10170	3.1
151.07530	3.7
157.10098	4.0
159.11705	3.5
161.13240	2.4
169.24147	2.3
171.11604	2.9
184.07338	12.9
185.04227	2.5
197.09956	2.4
232.28032	2.3
243.08342	5.0
274.34406	2.4
301.08911	20.4
315.10519	3.3
315.18967	3.0
333.20334	11.4
373.11035	10.4
385.18231	13.3
431.23807	5.3
483.21988	5.0
515.33142	4.2
551.28101	16.8
623.30170	5.1
657.34485	2.9
693.38312	2.7
735.38812	2.9
893.48749	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	890.546
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	2.7
67.05154	3.6
67.05492	100.0
69.03409	4.9
69.07047	44.5
71.04979	3.6
78.87942	2.0
79.05476	62.4
81.03387	12.4
81.06596	3.5
81.07039	73.3
83.04953	14.9
83.08598	17.6
85.02888	3.8
86.09697	21.1
91.05459	60.3
91.49174	2.1
93.07022	55.7
95.04962	18.2
95.08581	48.3
97.02898	2.5
97.06496	14.7
97.10152	8.5
99.04402	2.9
101.84553	2.3
105.07006	53.7
105.66753	2.3
107.04919	17.7
107.08572	35.5
108.24606	2.6
109.06488	10.2
109.10145	39.2
111.08080	4.2
117.06974	20.3
119.08527	30.3
121.06472	10.5
121.10090	18.8
123.08011	3.6
123.11691	2.5
124.99986	16.3
125.09592	10.3
128.06158	3.7
129.06987	4.9
131.08536	25.3
133.10117	23.8
135.08051	4.7
135.11646	13.3
136.40318	2.7
137.09586	5.4
142.07759	3.0
143.08511	2.8
145.10126	19.8
147.08057	3.0
147.11639	15.5
149.09581	14.2
149.13258	4.5
151.07529	4.8
151.11154	3.2
157.10091	8.6
159.11684	13.2
161.09554	2.4
161.13091	3.1
163.11118	10.5
168.09149	3.3
169.10037	3.3
171.11609	3.1
173.11725	3.3
173.13211	2.8
183.11592	2.3
184.07326	56.6
195.13586	2.5
197.13272	2.9
229.14278	15.5
257.19031	2.8
269.17319	5.5
275.20041	26.7
349.23856	17.0
365.23285	3.0
383.24100	3.8
387.54291	3.0
423.27393	9.3
443.19403	2.9
449.28778	3.3
503.33301	10.1
543.36554	16.2
623.42151	5.0
641.43646	2.8
846.05957	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	890.5087
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03916	1.8
67.05139	2.9
67.05490	61.4
68.83064	1.6
69.03405	3.6
69.07050	18.7
71.04976	5.9
73.02899	1.9
75.16149	1.3
79.05471	36.7
81.03394	6.0
81.07034	68.1
81.66670	1.3
83.04964	8.1
83.08588	11.7
85.02896	13.2
85.06519	6.5
91.03950	7.6
91.05456	47.4
92.09350	3.7
93.06431	1.4
93.07010	42.9
94.07401	1.3
94.14937	1.4
95.04942	17.3
95.08573	32.1
97.02866	5.5
97.06523	5.8
99.04443	2.7
105.07005	45.7
107.04923	3.1
107.08578	40.5
109.06496	7.9
109.10138	55.7
111.08051	1.7
117.06997	9.6
119.08543	14.9
121.06510	3.0
121.10156	10.1
123.08041	3.0
123.11635	10.3
125.09646	1.8
127.07526	1.5
130.32777	1.5
131.08530	11.5
133.10097	73.3
135.08018	1.7
135.11687	7.2
143.08568	2.8
145.10071	10.3
147.11676	6.2
149.09518	2.3
149.13240	2.3
151.11168	26.7
157.10100	2.0
159.11688	8.2
161.09599	2.7
161.13231	1.9
162.95959	1.4
163.11156	2.5
169.12181	2.2
215.12785	2.1
243.21199	2.5
252.18861	1.5
253.14282	100.0
261.22076	7.9
267.94177	1.5
271.15353	32.4
275.20050	2.6
335.25760	25.1
349.23758	3.4
513.35413	9.3
531.36615	44.8
549.37164	2.4
645.41266	1.7
675.39185	2.2
693.40558	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	890.5094
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03937	1.8
67.05146	2.6
67.05492	68.3
69.03405	3.6
69.07051	19.2
71.04971	9.8
79.05476	45.8
79.27409	1.9
81.03413	4.9
81.07034	74.4
83.04973	11.4
83.08627	4.9
85.02882	10.5
85.06541	3.5
91.03950	8.3
91.05460	59.8
92.64200	1.9
93.07021	56.3
95.04956	25.5
95.08585	31.7
97.02859	9.6
97.06522	4.5
99.04436	2.3
105.07013	58.9
107.08575	59.5
109.06474	14.2
109.10139	72.5
111.08080	2.1
117.06995	10.7
119.08551	18.6
121.06471	2.3
121.10117	17.2
123.08075	2.8
123.11703	10.3
127.07536	4.1
128.06046	2.6
129.07010	4.0
131.08505	17.0
133.10107	67.7
135.08054	2.5
135.11693	11.2
136.59923	2.1
141.07056	3.4
143.08505	4.0
145.10115	12.2
147.11673	8.4
149.13158	3.3
151.11131	31.8
155.08606	2.9
157.10175	3.7
159.11641	8.3
161.13187	2.8
169.12210	3.7
173.13264	3.8
183.11627	2.2
184.07358	2.4
199.17583	2.0
253.14284	100.0
261.22119	10.6
271.15320	22.1
275.20108	2.3
335.25732	39.7
339.49585	2.5
369.44373	2.1
513.35602	10.8
531.36725	70.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	889.5116
Annotation	Unknow
Peak:m/z	Relative Intensity
66.96721	1.7
67.05491	2.8
69.03413	2.7
71.04989	2.3
73.02910	2.2
81.07057	2.1
81.79677	1.4
85.02911	6.2
85.64606	1.3
91.05474	2.2
93.06998	2.0
95.08582	2.6
97.02911	6.0
107.08621	1.7
107.45055	1.6
109.10191	3.6
195.09669	1.4
272.49731	1.5
274.56143	1.7
347.09421	3.0
405.13541	2.8
406.14014	1.7
471.22101	11.3
497.30981	3.2
584.34406	1.6
633.27185	7.5
659.35541	2.7
721.94397	1.6
889.51111	100.0
890.50635	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	890.5024
Annotation	Unknow
Peak:m/z	Relative Intensity
62.88780	2.3
65.03931	2.8
67.05491	79.0
68.54327	2.7
69.03400	4.9
69.07050	40.6
71.04975	5.0
79.05468	75.9
81.03394	15.5
81.07031	100.0
81.07474	4.4
82.07365	2.7
83.04954	22.7
83.08611	36.2
85.02873	6.2
85.06518	3.3
89.67436	2.3
91.05460	80.2
93.07022	85.9
94.68739	2.4
95.04945	85.2
95.08570	49.7
95.33191	2.8
97.06499	16.6
97.10122	18.0
99.04436	5.8
105.07017	70.1
107.04935	35.9
107.08578	62.1
107.68944	2.5
109.06529	20.9
109.10146	26.7
111.04418	16.0
111.08054	11.7
117.06985	38.6
119.08543	61.2
121.06469	17.4
121.10114	32.9
123.08031	25.7
123.11671	4.6
125.09602	13.3
128.06192	4.1
129.06950	10.5
131.08527	42.5
133.06468	9.6
133.10103	34.3
135.08044	11.2
135.11679	14.8
137.09598	4.5
139.11119	3.3
141.06947	3.2
142.07729	2.6
143.08537	15.0
145.06483	3.0
145.10098	50.6
147.08003	16.2
147.11661	19.9
149.09596	45.5
151.11140	5.2
153.12643	3.4
155.08524	6.0
157.10075	12.8
159.08109	3.7
159.11700	20.9
161.09615	14.5
161.13258	3.8
163.11147	46.9
164.04558	2.8
165.12692	3.9
169.10095	10.2
171.11684	12.7
173.09526	5.7
173.13213	3.9
177.12680	4.5
185.13228	3.4
187.11243	3.5
189.11214	5.3
197.13089	5.7
223.13283	25.8
257.09387	2.6
257.18909	6.3
273.18457	18.1
275.20032	48.3
291.19391	19.3
293.21063	21.4
347.22116	4.8
349.23572	21.3
367.24686	44.4
383.19827	29.9
401.20828	44.2
544.48840	3.2
621.41388	3.8
639.41956	12.7
657.39648	13.3
675.39966	52.1
693.40924	59.6
757.18353	2.9
889.46515	3.9
891.50067	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	888.5679
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	1.4
67.05490	75.4
67.87073	1.4
69.03412	8.1
69.06712	2.0
69.07053	31.4
71.01309	1.5
71.04976	10.4
73.02895	4.2
79.05473	60.7
81.03407	12.3
81.07035	100.0
83.04965	12.5
83.08144	1.7
83.08596	15.4
85.02898	1.8
85.06512	5.3
91.05454	49.4
91.06002	2.0
91.57494	1.0
93.07022	52.3
95.04939	20.3
95.08584	35.5
97.02873	7.8
97.06499	14.1
97.10147	11.9
99.08079	2.7
103.05446	4.8
105.07009	44.0
107.04939	19.4
107.08576	33.2
109.02833	1.5
109.06491	22.2
109.10147	22.6
111.08069	8.9
115.05424	2.3
116.04723	1.7
117.07012	19.4
119.08553	32.3
121.06454	10.1
121.10110	19.6
123.04388	4.7
123.08041	7.2
123.11694	5.6
125.09599	6.5
127.03885	1.3
128.06172	2.2
129.05443	8.2
129.06995	7.5
131.04909	13.2
131.08536	19.7
133.06476	5.5
133.10109	26.0
135.08044	7.4
135.11678	12.8
137.05949	14.8
137.09563	8.5
139.07481	1.4
141.06993	2.4
142.07777	1.5
143.07071	1.6
143.08565	6.4
145.06499	2.6
145.10103	19.8
147.08012	4.6
147.11676	17.0
149.09573	11.6
149.13234	8.0
151.07550	6.0
151.11200	2.9
153.09015	1.5
155.08574	2.4
157.08618	2.6
157.10098	6.3
159.11670	11.3
161.09550	4.5
161.13295	2.7
163.11185	9.1
165.05475	1.3
165.09135	1.4
165.12735	2.6
169.10100	4.8
171.11636	5.9
171.85599	1.5
173.09650	1.8
173.11732	1.3
173.13213	5.2
175.11148	4.2
177.12756	1.5
181.06416	1.5
183.11685	2.3
184.07259	2.0
189.11194	2.5
193.12212	7.6
195.13773	2.0
197.13213	1.8
209.05951	1.6
227.12708	1.6
229.14255	6.1
238.09959	1.6
239.18008	1.7
247.20570	1.5
251.16130	1.5
254.05592	1.7
257.18973	4.8
269.08859	1.4
269.11615	15.0
269.17432	5.6
273.18442	6.5
275.19983	31.3
291.19452	5.2
293.20862	4.7
297.07605	6.8
347.22009	2.0
349.23676	21.3
365.23154	2.7
367.24673	15.2
399.23679	10.3
423.27118	5.1
431.27798	1.8
445.29730	1.6
449.28683	2.7
463.30472	7.2
465.15500	1.3
503.33511	5.3
521.34601	2.7
523.14008	1.2
525.35364	4.9
543.36652	20.6
561.37872	2.2
589.33057	1.6
623.42920	2.1
639.42230	8.7
655.42822	1.9
657.43048	7.3
673.43018	9.0
687.40924	2.2
691.44086	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	888.5673
Annotation	Unknow
Peak:m/z	Relative Intensity
62.01567	1.5
65.03926	4.0
67.05490	91.8
69.03415	11.9
69.07049	40.8
71.04970	14.7
79.05471	73.8
81.03405	17.3
81.07032	100.0
83.04952	18.3
83.08590	27.6
85.02895	8.0
85.06523	2.4
91.05463	66.9
92.08610	4.1
93.07019	73.9
95.01275	2.4
95.04939	29.1
95.08580	46.9
97.02857	7.0
97.06506	25.5
97.10135	16.5
99.08068	2.5
103.85470	1.8
105.07007	63.3
107.04918	18.6
107.08585	55.5
109.06515	13.4
109.10136	31.2
111.04414	8.0
111.08067	11.4
117.06997	29.9
119.08557	42.6
121.06468	12.9
121.10127	17.9
123.08090	7.8
123.11692	3.4
125.09615	11.5
127.03877	2.8
128.06178	1.9
129.05473	2.6
129.06958	8.1
131.08530	33.5
133.06445	4.4
133.10120	31.5
135.08002	10.4
135.11633	21.6
137.09595	9.0
142.07814	2.1
143.08549	12.5
144.09319	2.0
145.06500	2.5
145.10086	30.4
147.07991	4.4
147.11674	12.6
149.09593	12.7
149.12093	1.9
149.13185	13.5
151.11127	2.2
153.09172	3.4
155.08566	4.5
157.10094	8.2
159.11652	22.6
161.09525	4.2
161.13269	2.6
163.11197	13.5
169.09985	2.1
171.11708	2.2
173.11719	3.4
173.13205	4.1
175.11136	3.0
177.12627	6.5
179.14200	2.3
183.11566	3.5
184.07251	2.6
185.13158	2.3
189.11093	3.0
194.21062	1.9
195.13725	2.7
223.13292	3.6
227.12723	4.3
229.14284	10.9
247.20593	3.2
249.15099	2.0
255.15802	13.5
257.19000	7.5
267.15875	2.1
269.17365	9.2
273.18524	8.4
275.20023	26.7
291.19537	21.7
293.21027	3.6
309.73282	2.2
349.23615	25.7
365.22855	7.5
367.24762	4.0
399.23761	1.9
423.27313	8.3
449.28873	3.5
463.30338	3.7
503.33401	3.4
521.34583	7.6
525.35223	2.5
529.35022	38.5
543.36682	18.9
548.73541	2.0
561.37958	14.8
623.42657	2.9
641.43982	3.0
673.41376	2.1
801.49878	2.3
922.96252	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	888.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03915	3.0
67.05492	95.7
69.03410	12.7
69.07053	49.4
71.01319	2.4
71.04980	12.4
73.02887	1.3
79.05472	75.7
81.03402	14.9
81.07036	100.0
83.04959	21.0
83.08599	22.6
85.02863	5.1
85.06507	2.5
86.09692	2.1
91.05461	69.8
93.07020	75.1
95.04942	31.3
95.08578	46.6
97.02882	11.9
97.06506	16.9
97.10157	16.9
99.08070	1.7
103.05447	1.7
105.04466	1.6
105.06363	2.7
105.07018	56.5
107.04915	21.2
107.08579	41.0
109.02853	2.6
109.06498	20.1
109.10131	33.0
109.89406	1.3
111.04429	6.1
111.08049	8.5
115.05431	1.5
116.04707	2.8
117.06990	28.7
119.08553	44.1
121.06474	13.1
121.10118	20.8
123.04398	2.8
123.08047	14.7
123.11677	6.4
125.09599	16.1
127.03886	1.3
128.06215	1.6
129.05469	10.8
129.06978	12.6
131.08549	31.6
133.06474	8.4
133.10112	28.7
134.50656	1.2
135.08032	11.6
135.11649	20.2
137.05998	1.7
137.09592	16.1
139.07430	1.9
141.06955	1.4
143.07164	1.2
143.08517	11.8
145.10088	23.8
147.08032	10.9
147.11682	17.0
149.09607	18.5
149.13223	10.0
151.07533	2.2
151.11131	3.3
155.08513	7.0
157.08565	3.0
157.10106	9.4
159.08032	5.1
159.11705	17.9
161.09564	8.6
161.13193	2.1
163.11154	16.3
165.09105	1.5
165.12794	2.2
169.10019	4.4
171.10191	2.2
171.11656	6.8
173.09602	2.9
173.11694	7.4
173.13257	7.3
175.11171	5.4
177.12770	5.4
181.12216	2.4
183.11621	5.8
184.07297	5.5
185.09602	1.6
185.13269	5.0
187.11189	2.0
187.14627	1.9
189.11163	7.0
193.10378	1.5
193.12186	3.0
197.13277	2.6
215.17873	1.5
223.13193	1.6
227.12668	11.8
229.14313	8.2
245.18958	1.5
255.15921	2.8
257.19046	6.0
259.20334	1.4
263.19867	1.5
267.15646	2.1
269.17377	12.9
273.18506	17.0
275.19971	16.4
289.17786	5.4
291.19492	20.6
318.29971	2.4
331.22592	1.7
332.60724	1.5
347.22162	3.3
349.23712	18.0
365.23029	8.3
367.24902	2.0
381.22440	2.0
399.23935	11.0
423.27289	3.4
463.30246	2.0
503.33591	2.1
529.37122	1.9
543.36359	9.0
559.36005	6.5
575.35144	1.6
579.35059	7.2
593.36584	11.1
621.41754	3.2
623.42023	2.1
639.41980	9.2
657.43298	6.0
673.42609	6.2
767.40393	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
64.06456	3.0
67.05490	66.9
69.07047	22.8
79.05465	76.1
79.05890	4.1
81.03397	20.9
81.07032	100.0
83.04964	20.7
83.08609	15.7
85.02898	6.7
86.46445	3.3
91.05455	68.4
93.07026	61.0
95.04955	35.5
95.08588	30.1
97.06490	4.6
97.10146	21.9
105.07010	50.7
107.04937	55.2
107.08574	36.1
109.06489	21.2
109.10146	22.8
111.04467	5.2
111.08051	8.1
116.57699	3.6
117.06976	20.3
119.04996	5.3
119.08553	30.6
121.06474	16.8
121.10069	28.0
123.08022	25.5
125.09589	22.7
129.06995	8.0
131.04813	4.1
131.08490	28.2
133.10120	20.7
135.08041	8.5
135.11688	17.9
137.05963	20.3
143.08524	18.8
145.10094	32.6
147.08043	16.6
147.11700	17.5
149.09612	16.4
151.11163	8.1
157.10109	8.5
159.08046	3.5
159.11577	6.2
161.09593	18.6
163.11188	29.6
173.09575	4.2
175.11053	5.3
180.89388	3.8
185.13239	3.8
189.11127	7.4
191.10553	6.5
193.12267	6.1
227.12822	14.9
273.18307	41.9
291.19519	43.6
347.22083	18.2
349.23361	5.5
365.23154	38.4
383.24142	20.1
545.34680	4.6
557.33936	6.0
575.35559	15.8
637.40735	8.3
655.41925	26.9
665.51044	4.7
673.43134	15.9
691.43353	15.5
814.54523	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	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03903	1.2
67.05487	52.5
69.03416	7.1
69.07049	30.1
71.04957	4.4
73.02889	1.0
79.05470	62.0
81.03394	16.0
81.07031	100.0
83.04466	0.9
83.04959	20.0
83.08113	1.1
83.08596	25.6
85.02893	5.4
85.06523	1.8
91.05452	45.6
93.07017	47.3
95.01344	1.0
95.04940	29.0
95.08580	28.7
97.02853	3.8
97.06499	11.0
97.10143	36.4
99.04404	1.8
99.08057	3.6
103.05418	1.7
103.71943	0.8
105.04458	1.1
105.07012	35.8
107.04932	22.8
107.08562	34.7
109.06494	19.5
109.10137	16.7
111.04416	18.4
111.08067	10.7
113.05952	0.9
114.37210	1.0
115.05415	1.3
117.06998	22.4
119.04919	1.4
119.08549	40.2
121.06472	15.7
121.10120	16.5
123.04379	1.0
123.08034	32.0
123.11693	1.4
125.05990	1.0
125.09599	27.9
128.06183	1.6
128.41368	0.8
129.06967	13.0
130.07787	1.0
131.08528	21.1
132.05681	1.2
133.06456	5.7
133.10110	17.0
135.08028	15.5
135.11641	12.9
137.09615	8.1
141.06947	1.8
142.07762	1.8
143.08530	13.9
145.06427	3.4
145.10092	26.5
147.08003	19.8
147.11668	11.2
149.09601	12.5
149.13206	1.7
151.11116	1.0
153.09071	5.2
153.12715	8.5
155.08508	3.5
156.09270	1.0
157.06477	1.2
157.10097	10.1
159.08015	3.3
159.11700	9.4
161.09569	16.0
161.13213	3.4
163.11156	28.1
164.20619	0.8
165.09077	6.1
165.12701	1.1
167.08504	0.9
169.10139	1.9
171.10236	1.7
171.11673	7.1
173.09622	6.6
173.13217	0.8
175.11082	10.1
177.09026	0.8
177.12700	3.0
181.10219	0.8
181.10561	1.0
181.12170	10.8
183.11639	1.3
185.09549	1.7
185.13196	4.0
187.11168	2.9
189.11172	14.8
189.12723	2.8
189.54518	0.8
191.10638	7.1
193.12173	5.6
195.11629	3.3
199.11115	0.9
201.16489	0.9
205.12274	1.1
213.12769	1.5
219.13562	1.2
223.13217	4.6
223.77249	0.8
227.12700	14.7
227.17903	3.3
242.17114	0.8
245.13489	0.9
245.18846	5.7
249.14784	1.9
255.17383	6.6
257.48318	1.0
273.18402	42.2
283.15329	4.9
291.19467	72.6
309.20486	8.1
329.20898	1.6
347.22006	16.2
365.23141	50.2
383.24197	31.8
535.32349	3.9
545.35675	1.1
573.33954	1.1
581.38226	1.4
619.39429	1.5
637.40704	16.9
655.41876	38.4
673.43030	27.9
691.44067	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	888.5302
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03917	3.7
65.09764	0.8
67.05486	92.2
69.03410	10.9
69.07047	50.8
71.01322	4.5
71.04987	10.3
73.02895	4.6
79.05467	81.2
81.03391	15.6
81.07030	96.2
82.07806	0.9
83.04960	31.9
83.08595	54.5
83.09094	2.0
85.02892	10.8
85.06522	5.8
88.49785	0.9
91.05452	70.7
93.07014	80.6
95.01245	1.0
95.04938	100.0
95.08575	49.2
97.02862	13.3
97.06494	20.1
97.10136	31.1
99.04405	10.4
99.08048	4.5
101.02433	1.0
101.05973	1.8
103.05419	1.4
105.07005	59.9
107.04929	36.7
107.08565	59.3
109.02867	2.2
109.05739	0.8
109.06483	27.6
109.09378	1.7
109.10132	46.2
111.04417	17.3
111.08056	18.2
113.05951	1.2
115.05422	4.2
116.04676	9.5
117.06986	27.3
119.04888	1.2
119.08545	50.7
121.06470	16.5
121.10104	32.8
123.04383	8.4
123.08041	20.7
123.11666	4.7
125.05956	2.2
125.09591	23.2
127.11201	1.3
128.06181	2.2
129.05450	25.2
129.06918	11.4
130.07719	1.8
131.04941	1.3
131.08525	32.2
131.09435	1.6
133.06519	6.6
133.10094	34.9
134.15063	0.8
135.08018	17.7
135.11649	21.4
136.08769	1.1
137.05943	1.2
137.09586	20.0
139.07520	1.5
139.11143	4.4
141.06978	5.1
143.06990	4.3
143.08540	12.1
144.05748	0.9
145.06476	3.7
145.08969	1.5
145.10091	39.0
147.08012	13.2
147.11644	19.9
149.09583	42.0
149.13257	6.2
151.07474	1.9
151.11197	6.7
153.09079	5.2
153.12750	2.2
155.08531	4.2
155.10666	1.9
157.08572	15.3
157.10089	12.2
159.08025	4.8
159.11646	18.6
161.09547	11.3
161.13213	5.1
163.07452	1.4
163.11134	48.6
165.09068	5.6
165.12686	8.1
167.10641	1.2
169.10092	9.0
171.06497	1.5
171.10147	7.0
171.11661	6.3
173.09514	6.6
173.11691	5.6
173.13252	8.2
175.11105	9.7
175.14781	1.4
177.09094	1.1
177.12692	8.1
179.10626	1.6
181.10193	0.9
181.12219	3.9
183.11728	4.2
185.11736	1.6
185.13249	1.8
187.11140	5.9
189.09210	1.2
189.09462	1.3
189.11156	12.2
189.12617	2.2
191.10597	1.7
191.14214	2.1
193.12184	8.7
197.13226	2.2
199.13205	3.6
201.14795	1.0
203.10461	1.0
203.14246	1.3
205.12201	6.3
207.13707	1.3
211.13170	1.3
213.16446	1.4
215.14418	1.0
221.11707	7.0
223.13242	35.5
227.12703	9.6
229.14224	12.9
229.19406	3.9
237.14580	1.4
239.12679	4.5
239.17809	8.3
245.18950	1.3
247.20575	3.5
255.15523	1.2
257.18985	11.9
261.18430	1.7
271.16760	1.5
273.18402	18.0
275.19977	63.1
281.20679	0.9
289.17920	5.0
291.19504	15.3
293.21039	32.3
295.15482	1.4
305.85193	1.1
307.19043	1.0
313.16449	1.2
347.22113	9.3
349.23605	27.5
363.21674	1.7
365.23221	17.7
367.24683	46.0
381.22614	8.8
399.23663	41.7
463.30005	1.5
503.33582	4.7
521.34613	20.3
543.36450	4.8
561.37292	7.4
605.36774	1.4
613.20905	1.1
621.41412	3.8
623.42432	1.1
639.42554	22.7
641.43396	1.1
655.41852	2.1
657.43463	21.0
673.42767	20.0
691.43958	55.3
692.43445	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.53
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03912	3.1
67.05146	3.6
67.05489	87.7
69.03427	7.1
69.06706	2.5
69.07056	35.4
71.04964	14.1
74.47846	2.3
79.05476	68.6
81.03388	12.3
81.07033	100.0
82.80506	1.9
83.04948	14.6
83.08601	34.7
85.02891	5.1
85.06496	3.8
91.05463	59.5
93.06493	3.1
93.07025	61.9
95.04935	25.6
95.08582	36.0
97.02859	14.4
97.06499	12.4
97.10139	11.1
105.06358	3.7
105.07007	55.9
107.04946	30.5
107.08587	42.0
109.06522	18.8
109.10140	43.1
111.08057	8.8
116.04655	3.5
117.06990	22.2
119.08559	42.2
121.06480	12.8
121.10113	25.0
123.04450	3.6
123.08025	13.7
123.11686	5.0
125.09594	13.1
129.05426	12.0
129.06964	10.8
131.04869	5.1
131.08559	29.6
133.06487	5.1
133.10104	33.1
135.08044	12.2
135.11676	14.7
137.05956	5.0
137.09625	17.1
139.11183	2.8
141.06905	2.4
143.07054	2.4
143.08479	5.3
145.06514	2.6
145.10089	27.4
147.08012	10.2
147.11664	17.3
149.09593	25.7
149.13243	3.5
151.11180	4.4
155.08568	2.8
155.10614	2.9
157.08595	8.1
157.10094	4.6
159.11665	15.4
161.09563	8.5
161.13271	3.4
163.11124	25.9
165.12712	5.2
171.11665	8.8
173.11674	3.8
173.13185	8.5
175.11249	3.5
177.12683	3.9
183.11725	4.2
184.07271	4.5
187.11122	3.2
187.14745	2.8
193.12209	3.8
197.13200	3.2
201.12727	3.3
227.12709	3.2
229.14317	12.0
239.17949	4.0
257.18918	10.5
269.11859	7.2
273.18533	3.4
275.20013	46.4
291.19543	12.2
347.22049	4.9
349.23599	33.0
365.22971	5.4
367.24591	15.3
399.23508	20.4
423.27155	8.8
503.33487	21.7
521.34741	3.7
529.35126	5.1
543.36407	9.2
621.41180	4.4
639.42010	15.4
657.43164	8.7
673.43188	15.8
691.44318	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	888.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	81.0
69.07052	44.2
71.01349	3.0
71.04971	11.6
73.58558	3.1
79.05473	64.1
81.03403	17.9
81.07036	100.0
83.04951	5.6
83.08599	22.4
85.02882	3.2
85.06514	3.3
91.05457	49.7
93.07025	57.9
95.04955	19.6
95.08578	42.3
97.02893	3.5
97.06494	23.5
97.10117	5.3
105.07013	41.1
107.04954	15.5
107.08580	39.6
109.06485	20.6
109.10120	28.6
111.08065	11.1
117.07019	13.0
119.08522	35.6
121.06477	4.2
121.10137	24.6
123.08053	5.3
125.09609	7.1
129.05437	12.8
129.07021	2.9
130.40524	3.1
131.08566	17.3
133.10086	23.5
135.11664	6.4
137.09586	4.0
145.06525	4.0
145.10086	22.2
147.08122	4.0
147.11658	16.9
149.09599	16.8
149.13210	3.3
157.10123	4.3
159.11682	18.1
161.09569	4.3
163.11151	5.0
184.07336	4.5
193.12167	11.8
227.12503	3.9
229.14371	13.2
257.18744	4.3
269.17413	3.2
273.18475	4.0
275.20001	31.1
289.17862	3.8
291.19516	4.1
295.57373	3.6
349.23767	15.0
363.21567	3.3
365.22980	3.3
367.24725	12.5
399.23633	22.0
423.27322	5.0
432.45697	3.4
483.63364	3.5
503.33511	6.5
521.35077	3.6
543.36536	12.3
561.37268	3.9
641.43866	3.7
673.42847	13.2
691.43359	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	888.4427
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.9
67.05488	42.3
68.85539	1.8
69.03407	9.2
69.07054	16.8
71.04954	3.4
73.02896	3.3
74.83195	1.9
79.05470	49.4
81.03393	62.4
81.07032	48.3
83.04949	27.6
83.08610	24.3
85.02885	31.3
85.06527	2.6
91.03940	4.1
91.05460	54.0
92.63615	1.8
93.07013	47.6
95.04940	29.5
95.08589	19.2
97.02866	22.2
97.06490	10.3
97.10126	2.9
99.04394	3.4
105.07011	28.1
107.04934	20.2
107.08579	24.3
109.06475	7.5
109.10110	13.3
111.04425	28.7
111.08054	11.0
117.06985	10.7
119.08559	28.5
121.06459	3.7
121.10117	20.1
123.04357	2.5
123.08058	2.7
123.11677	3.4
125.05988	2.1
125.09594	3.3
127.03815	2.6
129.05461	1.8
129.06966	10.4
131.08549	17.2
133.06422	2.1
133.10124	18.2
135.08055	2.8
135.11624	7.3
139.11147	3.0
145.04779	2.0
145.06447	3.0
145.10068	13.5
147.08031	6.8
147.11623	12.8
149.09627	12.8
151.11124	3.1
157.10078	11.8
163.11128	10.8
163.21786	1.8
165.12772	2.1
173.09546	3.1
175.11125	12.2
177.58003	2.1
181.12253	2.4
191.10622	11.1
193.12207	32.3
209.11673	100.0
209.13643	3.9
211.11304	2.5
211.13231	24.0
218.56064	1.8
227.12766	15.9
241.14279	4.1
242.76723	2.0
259.15286	3.0
267.15854	13.8
283.15359	22.6
285.16910	17.7
301.16473	17.5
309.16782	3.2
385.68652	1.8
401.23401	2.0
447.27240	14.2
451.26501	2.6
457.25711	3.8
475.26767	40.8
493.27924	58.4
511.28897	42.1
637.80939	2.3
655.32843	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	888.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03902	2.3
67.05148	5.1
67.05489	100.0
69.03401	13.2
69.07042	12.1
70.25365	2.0
71.04961	6.1
73.02892	4.8
77.03712	2.5
79.05055	3.9
79.05472	60.1
81.03398	83.4
81.06599	4.1
81.07034	74.3
83.04963	33.3
83.08598	41.5
85.02880	49.6
85.06547	2.9
87.04436	4.6
91.03928	5.1
91.05458	67.2
92.63974	2.6
93.07018	39.9
95.04932	39.5
95.08583	25.1
97.02864	21.0
97.06505	4.6
97.10171	20.8
105.07008	43.8
107.04956	18.6
107.07903	3.1
107.08541	25.4
109.06493	10.4
109.10139	58.3
111.08044	16.5
117.06986	9.1
117.19546	2.2
119.08561	37.6
121.06488	3.8
121.10143	22.3
123.04422	3.2
123.08022	4.1
125.09622	17.4
127.03892	2.7
129.05443	4.1
129.07021	17.1
130.35585	2.3
131.04930	2.8
131.08542	22.3
133.10094	19.5
135.11624	3.8
137.09657	8.1
145.10088	5.5
147.08063	3.9
147.11678	26.0
149.09618	13.6
157.08838	3.8
157.10088	23.2
163.11116	9.1
173.11697	17.8
175.11142	20.3
181.04947	2.5
191.07024	3.6
191.10518	3.0
193.12238	47.9
197.55420	2.2
209.11732	4.4
211.13290	50.4
227.12735	10.2
229.14276	47.8
252.27512	2.8
267.15817	39.5
283.15201	4.6
285.16916	41.2
287.14719	9.8
301.16409	15.8
305.89551	2.7
421.25760	10.5
439.26813	57.2
475.26990	3.1
479.26111	3.4
488.07730	3.6
493.28006	18.1
511.28854	34.0
529.30328	5.2
623.91614	3.5
655.32874	3.5
703.75482	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	887.4965
Annotation	Unknow
Peak:m/z	Relative Intensity
62.21622	2.5
65.07631	2.3
66.43211	2.3
67.05488	4.2
69.03402	2.3
69.07056	2.5
73.02903	3.8
75.75461	2.3
81.03397	2.6
81.07079	3.1
85.02890	10.1
86.82266	2.2
91.03965	2.5
91.05414	2.9
92.08669	5.8
97.02866	6.0
109.10188	3.3
119.07690	2.5
133.13394	2.3
405.13226	4.3
469.20288	12.7
631.25549	5.2
636.34296	2.7
659.35889	4.5
768.25787	3.6
887.49567	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	888.3584
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	6.0
69.03423	1.6
79.05471	15.8
81.03428	2.2
81.07040	10.6
83.04994	2.2
90.80774	1.2
91.05466	17.1
93.07032	7.3
95.04946	12.1
95.08591	1.9
97.06496	1.3
103.05470	6.0
105.07014	13.9
107.04926	22.7
107.08606	5.5
109.06512	8.2
109.10187	2.0
115.05451	1.6
117.07013	3.1
119.08559	4.5
121.06498	8.1
128.06232	1.7
129.06950	2.1
131.04926	7.0
131.08559	6.2
133.10127	1.6
135.04410	8.6
135.08098	1.7
137.05963	53.3
143.08597	2.7
145.06509	2.7
145.10097	2.3
147.04265	1.5
149.09671	1.7
151.07527	11.4
153.05440	27.4
153.06697	1.8
155.08557	1.9
157.06458	19.6
157.10170	1.5
159.11714	1.6
165.05475	38.1
165.06973	6.2
167.08548	2.0
169.06468	2.3
179.08534	9.2
181.06479	6.6
181.08582	5.8
183.08015	2.8
185.05972	3.0
193.06570	6.0
194.07182	1.9
195.08035	2.6
197.05960	3.0
206.07198	2.0
207.08035	15.5
209.06055	2.3
210.06740	2.8
211.07524	6.0
215.06972	2.3
221.06036	5.3
222.06807	2.5
224.08311	3.0
225.05525	5.6
225.09087	3.0
227.06943	2.8
234.06801	1.9
235.07576	14.8
237.09071	4.7
238.06239	5.6
239.10753	1.9
247.09671	3.0
251.06978	2.2
252.07903	1.5
253.08640	6.8
255.06441	2.8
257.08005	23.7
263.07013	7.4
266.05673	9.3
267.10153	32.8
268.10901	1.7
269.08054	3.1
281.08035	88.6
281.11151	2.9
301.10684	57.3
341.08093	1.8
387.12277	2.3
401.10345	1.9
404.13235	1.4
407.15012	7.2
419.14822	100.0
433.12943	2.6
436.09534	1.3
451.17493	41.8
569.21729	31.1
583.19849	2.0
684.43121	1.4
806.90436	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	887.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05493	4.2
69.03419	4.7
69.07063	1.6
71.01356	0.4
71.04967	0.5
71.08603	1.8
71.09361	0.2
73.02905	5.4
79.05476	3.1
81.03406	4.1
81.07037	5.6
83.05001	0.8
83.08625	1.4
85.02890	9.3
85.10192	0.6
91.03937	4.5
91.05441	2.4
93.07034	3.3
95.04965	1.2
95.08581	3.0
97.02869	7.2
97.06531	0.3
97.10196	0.4
99.04443	0.9
101.02367	2.8
105.07005	2.2
107.04993	0.3
107.08569	1.9
109.02895	1.4
109.06506	0.4
109.10136	1.8
117.06981	0.5
119.08581	1.6
121.10168	1.1
123.08002	0.3
123.11729	0.5
127.03902	2.3
128.22794	0.3
129.06990	0.3
131.08577	1.0
131.41287	0.3
133.10162	1.4
135.11696	0.3
137.12251	0.3
139.68279	0.3
145.04926	0.3
147.11711	0.6
149.13260	0.4
150.98613	0.2
157.10187	0.5
160.56175	0.2
165.60533	0.2
173.13266	0.3
175.11249	0.5
185.04306	1.6
193.12192	0.5
203.05283	0.4
211.13382	1.0
221.70947	0.2
234.63391	0.3
243.08295	2.7
251.12413	0.4
269.17548	1.2
285.17038	0.4
307.15262	0.3
313.27499	1.5
335.25851	1.4
347.09485	3.2
363.08972	0.3
365.10626	1.5
405.13644	5.7
469.20358	10.1
497.30777	5.9
525.40826	0.6
529.38702	2.8
631.25671	8.7
659.36035	5.1
725.44397	2.3
887.49542	100.0
888.49652	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	886.5151
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03928	2.7
67.05141	2.2
67.05491	50.5
69.03402	6.8
69.07051	34.0
71.04988	5.0
73.02875	1.5
77.03875	1.5
79.05473	66.4
81.03394	18.9
81.07035	100.0
83.04969	22.6
83.08599	22.9
85.02891	6.7
85.06527	2.1
91.05457	48.9
91.17559	1.1
93.07014	52.9
94.07314	1.2
95.04942	28.9
95.08582	25.4
97.02865	4.6
97.06508	9.7
97.10151	35.3
99.00800	2.1
99.04425	4.4
99.08068	1.9
103.05450	2.0
105.06361	2.2
105.07013	42.2
107.04937	28.0
107.08572	40.3
109.02843	8.5
109.06504	17.9
109.10148	15.3
111.04430	15.9
111.08074	10.7
111.66223	1.2
115.05412	2.7
116.96835	1.2
117.06992	23.6
119.08549	42.2
121.02818	1.7
121.06483	18.4
121.10104	17.7
123.04416	5.7
123.08046	25.8
123.11647	1.8
125.05920	1.1
125.09605	30.6
127.03801	1.3
128.06204	5.1
129.06985	12.1
130.07758	1.5
131.08539	22.0
133.06454	7.2
133.10112	18.6
135.04436	1.9
135.08043	20.2
135.11655	14.4
137.05946	2.2
137.09598	10.8
141.06952	2.0
143.08531	14.8
145.06479	6.2
145.10101	22.9
146.07260	1.5
147.08028	15.4
147.11659	9.8
149.09605	10.1
149.13260	1.4
151.11182	5.9
153.09067	6.3
153.12752	6.8
155.08536	2.9
157.06549	1.2
157.10112	8.1
159.07982	8.3
159.11754	6.1
161.09616	16.0
161.13104	1.6
163.07536	6.6
163.11136	22.9
165.09056	7.0
167.08522	1.7
169.10052	1.6
171.07993	1.6
171.10220	2.2
171.11652	6.5
173.09586	9.4
173.13130	1.6
175.11168	7.1
177.12761	1.7
179.10696	2.1
179.91122	1.2
181.12198	6.7
183.11646	1.7
185.09636	1.3
185.13303	2.3
187.11078	2.0
189.09389	1.2
189.11209	11.3
189.12645	1.4
191.10611	6.0
193.12190	20.5
195.11696	1.5
199.11185	2.0
205.12207	1.7
223.13252	4.8
227.12753	13.0
227.17853	1.6
243.17464	1.7
245.19009	1.7
255.17448	2.4
261.18463	2.5
271.16757	2.4
273.18433	28.5
283.15521	2.5
289.17953	17.2
291.19467	49.2
307.19031	5.3
309.20483	5.6
347.22107	11.0
363.21667	5.8
365.23105	28.0
381.22607	67.4
383.24228	15.0
503.29752	1.3
551.32495	2.1
555.32800	2.0
573.34265	4.7
597.37787	2.1
635.38989	2.9
653.40436	23.1
671.41455	55.9
686.56433	1.3
689.42560	35.1
690.42603	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4642
Annotation	Unknow
Peak:m/z	Relative Intensity
62.45884	0.5
64.33787	0.4
65.03937	0.7
67.05495	20.2
69.03432	3.2
69.07056	6.2
71.01312	0.5
71.04979	3.6
73.02895	2.0
74.61620	0.4
76.56805	0.4
77.36217	0.4
79.05476	21.1
81.03402	100.0
81.07037	23.6
81.07526	0.5
82.52280	0.4
83.01342	0.4
83.04964	11.7
83.05418	0.5
83.08606	22.9
85.02892	15.7
85.06535	2.2
91.03938	2.7
91.05462	26.5
93.06439	0.5
93.07024	16.9
95.04948	32.5
95.08591	9.7
97.02862	4.5
97.06524	2.4
97.10150	8.7
99.08046	0.7
103.05467	0.7
105.07016	21.8
107.04940	10.6
107.08586	7.5
109.06497	4.8
109.10151	5.1
111.04417	3.0
111.08071	9.3
113.05941	0.9
115.05451	2.1
115.64922	0.4
117.07023	3.4
119.04928	1.7
119.08566	20.2
121.06474	4.8
121.10135	7.2
123.04420	0.9
123.08038	3.9
123.11603	0.7
125.09628	4.4
127.03844	0.5
127.07468	0.7
128.06181	0.6
129.06984	15.8
131.04951	1.8
131.08553	14.6
133.06483	5.1
133.10124	10.7
135.08066	2.2
135.11678	1.1
137.05992	0.8
137.09642	2.3
141.07043	0.8
142.07771	3.9
143.08577	3.0
145.06471	6.3
145.09137	0.5
145.10114	4.6
147.08012	5.4
147.11681	12.5
149.09581	7.9
153.09091	1.1
155.08589	0.9
157.06502	0.6
157.10118	17.0
159.08066	0.9
159.11681	0.6
159.58392	0.5
161.05968	1.0
161.09636	0.6
163.11189	2.8
165.12775	2.2
169.10147	1.1
171.08070	2.1
171.11772	0.9
173.09656	0.7
175.11169	14.4
183.11717	0.6
185.09538	0.7
185.13295	0.8
187.11143	0.8
189.11205	1.9
193.12216	42.9
195.11682	2.6
197.13274	0.8
199.11142	0.5
201.12834	0.5
205.12090	0.5
211.13263	13.2
213.12856	0.7
215.14264	0.6
217.12384	0.6
223.13107	0.7
227.12607	0.6
229.14398	1.9
233.15538	0.5
235.13254	0.9
237.12637	0.9
249.14926	2.3
255.13817	2.9
264.10007	0.5
267.15866	87.7
268.16354	1.9
273.14853	5.5
285.16910	8.7
301.14441	0.6
309.17105	0.6
323.19730	0.7
339.23273	2.1
341.21103	2.5
349.21466	3.4
357.23984	0.8
367.22681	7.1
385.23627	9.1
403.24747	2.1
405.24240	0.7
433.25809	15.1
441.26334	7.6
459.27353	72.5
460.27570	0.8
477.28424	48.7
478.28632	1.1
501.28763	2.5
519.29315	2.1
571.65479	0.6
585.30426	1.7
603.31549	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	886.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
62.48423	0.5
65.03925	2.4
66.04693	0.7
67.05492	57.9
69.03413	12.9
69.07055	14.4
70.04186	2.8
71.01332	4.4
71.04984	5.9
73.02895	17.4
74.09721	0.6
74.79498	0.5
79.05474	48.6
80.06247	2.3
81.02924	1.3
81.03400	37.9
81.07037	43.0
82.03749	0.6
82.04186	12.4
82.07829	0.7
83.01341	2.2
83.04965	29.1
83.08603	20.5
84.02100	3.5
84.05752	1.3
85.02890	27.6
85.06515	3.0
87.04462	0.8
91.03938	14.0
91.05460	39.3
93.07019	35.7
94.04156	3.3
94.07781	2.5
95.04945	37.7
95.08589	19.8
96.04452	0.8
96.05711	2.1
97.02870	20.6
97.06503	14.0
97.10147	31.1
98.07285	13.8
99.04424	3.8
99.08066	3.0
101.05997	3.1
103.03905	0.7
103.05415	1.0
105.04465	0.7
105.07011	23.7
106.07754	0.8
107.04932	13.0
107.08575	27.2
108.05733	1.0
109.02864	2.3
109.06520	7.4
109.10146	21.3
110.07269	0.7
111.04422	4.6
111.08061	10.1
113.05998	1.3
115.03893	1.4
115.05455	1.0
116.04694	33.7
117.05494	0.6
117.07001	10.3
118.07749	0.5
119.04898	0.6
119.08552	20.6
120.09322	1.0
121.06485	5.9
121.10107	10.7
123.04417	1.0
123.08049	14.2
123.11704	0.7
125.05963	1.3
125.09603	37.8
126.10376	2.7
127.03889	3.3
127.07533	0.7
127.11167	2.7
129.05455	86.1
129.06862	8.7
130.07776	1.1
131.08540	10.2
132.09294	0.9
133.06450	2.2
133.10109	14.0
135.08022	8.0
135.11661	11.1
136.08817	3.2
137.09592	6.4
139.07524	0.9
139.11086	0.7
142.07780	1.3
143.07022	18.1
143.08185	0.9
143.08585	0.5
143.10652	1.2
145.04926	3.2
145.06424	0.7
145.10104	12.6
147.04372	0.7
147.08047	3.8
147.11653	11.2
149.09631	5.5
151.11172	0.7
153.09077	3.9
153.12708	3.4
155.08540	1.1
155.10582	0.7
157.08575	42.3
157.10065	9.5
158.05716	3.4
160.30873	0.6
161.09485	0.9
163.05978	2.9
163.11142	15.2
164.11890	1.2
165.12698	2.6
166.42107	0.6
167.07071	1.0
171.06522	4.3
171.10129	11.5
173.09610	2.9
173.11647	5.3
175.11113	6.2
181.12199	3.3
182.13042	0.6
183.06476	2.3
185.05579	0.6
185.08051	1.4
185.11702	3.8
189.11185	18.4
191.10608	4.6
192.11380	0.8
193.12183	10.1
197.08167	1.1
199.09625	1.2
199.13245	14.9
200.14043	5.8
201.14778	0.7
209.11702	9.4
210.12427	3.4
211.09575	2.6
211.13277	3.6
217.14305	3.5
225.11130	0.8
227.12730	26.5
229.14299	7.6
247.13120	1.1
249.83429	0.6
253.14268	0.9
255.15889	4.5
260.26990	0.6
265.14313	0.7
267.15863	13.0
283.15344	17.4
284.15842	2.1
301.16400	100.0
302.16714	2.4
311.18503	0.8
326.24615	0.9
355.17511	4.2
383.20526	0.8
388.24573	0.8
425.25021	2.3
438.25800	2.4
443.26251	6.3
455.26178	16.9
475.26962	1.4
476.27280	1.1
477.28162	1.3
492.26819	0.7
493.27811	5.7
509.27396	8.2
510.28241	6.4
511.29263	0.7
527.28436	77.9
528.29022	2.8
736.16919	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	885.4811
Annotation	Unknow
Peak:m/z	Relative Intensity
63.94499	0.4
67.05498	2.6
69.03412	6.9
69.07055	11.6
71.01335	0.6
71.04971	0.8
71.08637	1.8
71.14906	0.4
73.02891	6.3
75.59530	0.4
79.05492	2.0
81.03411	2.4
81.07050	2.8
83.04989	1.1
83.08596	1.0
85.02895	10.2
85.10179	0.9
87.08083	0.9
87.72476	0.5
91.03922	4.9
91.05476	0.8
92.08749	0.5
93.06998	0.7
95.08601	2.7
97.02873	9.2
97.03438	0.8
99.04443	1.1
101.02374	2.2
105.07035	1.0
107.08588	0.5
109.02882	0.8
109.10204	0.5
111.04449	2.3
115.03897	0.8
127.03947	2.5
135.11679	0.5
145.10158	1.2
163.11223	2.1
173.15382	0.7
185.04306	0.8
203.05135	0.7
220.72609	0.5
221.73064	0.6
243.08482	0.7
255.25128	0.5
283.15533	0.9
295.26184	0.5
305.13589	0.5
313.27353	2.1
347.09592	2.7
365.10635	1.1
405.13538	7.4
467.18872	9.6
497.30750	6.3
553.43671	0.6
629.24176	8.1
659.35944	4.7
723.42896	2.4
822.62854	0.6
885.48010	100.0
886.48181	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	885.4807
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05498	1.8
69.03426	4.8
71.08628	4.0
73.02908	4.0
79.05482	1.8
81.03414	1.5
81.07037	2.1
85.02873	6.1
91.03952	4.0
91.05460	0.8
92.08685	2.1
93.07010	2.1
95.08604	4.2
97.02893	9.1
101.02374	1.5
103.15851	0.8
105.07077	1.2
107.08600	1.9
109.02921	1.0
109.10153	1.6
119.08577	1.2
121.10210	1.0
127.03959	1.2
135.11722	4.1
145.10139	1.3
153.12558	1.0
163.11208	5.1
227.12854	4.0
243.08318	1.6
249.10960	8.1
280.27487	0.9
305.13779	1.5
313.27460	1.8
347.09485	1.9
365.10739	1.2
405.13849	4.8
450.96237	1.0
451.42484	1.1
467.18930	14.0
497.30768	7.8
561.38208	0.9
629.24255	10.9
659.35834	6.7
672.76563	0.9
723.42828	3.9
885.47992	100.0
886.47491	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
61.88894	0.8
65.03929	0.9
67.05489	73.3
69.03400	1.2
69.07053	10.0
71.04970	20.4
71.08237	1.7
71.08606	25.5
71.08967	1.6
73.02887	4.1
73.52735	0.7
77.90711	0.7
79.05475	8.0
81.03402	1.6
81.07033	22.7
83.04974	1.2
83.08601	13.3
85.02895	13.3
85.06540	2.1
85.10163	14.1
86.58365	0.8
90.24337	0.9
91.03925	9.3
91.05457	11.5
92.08804	1.5
92.09299	1.3
93.07020	12.3
95.08582	32.1
96.04462	0.9
96.14028	0.8
97.02879	6.0
97.06480	1.6
97.10154	6.0
105.06990	1.1
107.08572	7.4
109.10136	61.0
111.08041	1.7
115.69880	1.1
117.45242	1.0
119.08547	10.9
121.10129	2.0
123.11671	3.4
127.03883	1.9
135.11656	9.2
137.09555	8.4
137.13240	1.7
145.10092	4.9
155.10652	1.2
173.11743	11.6
187.13353	0.9
239.23645	3.9
255.15947	3.9
287.18475	17.0
313.27310	20.7
342.67349	1.2
346.79581	0.9
360.77188	1.1
404.21634	1.3
420.28525	1.0
431.22876	1.3
441.21356	0.9
467.37225	75.3
481.38892	1.8
493.38629	5.4
525.41364	100.0
526.41479	1.9
532.22076	1.1
556.97137	1.1
606.47894	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	884.499
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	33.9
69.03419	6.3
69.07063	29.3
70.20654	3.6
79.05478	46.1
81.03394	9.5
81.07036	54.6
83.04964	15.4
83.08613	8.7
85.06503	4.1
87.59654	4.6
91.05457	40.2
92.09385	5.6
93.07037	26.7
95.04944	16.9
95.08584	15.1
97.06483	5.7
97.10156	23.8
99.00819	3.9
105.06998	28.9
107.04927	18.3
107.08549	29.5
109.02847	6.7
109.06492	19.3
109.10133	9.6
111.04422	5.8
111.08073	4.6
117.07008	15.8
119.08538	18.0
121.06509	16.1
121.10112	7.5
123.08015	5.6
125.09602	15.9
129.06908	6.2
131.08505	5.4
133.10107	23.1
135.08018	34.3
137.06030	4.2
137.09581	6.0
143.08647	4.8
145.06487	7.2
145.10115	7.6
145.85274	3.8
147.08009	6.4
153.12680	5.3
155.08487	4.2
159.08051	5.4
161.09621	7.8
163.07513	6.5
163.11156	4.4
171.11734	3.7
179.10809	4.6
193.12189	37.2
197.43402	3.8
261.18454	6.9
271.16791	5.9
289.17792	30.6
307.19159	4.4
313.94739	4.1
363.21655	16.0
381.22644	100.0
578.09338	4.7
669.39423	25.4
687.40979	71.1
718.03998	3.9
722.46930	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	884.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
64.41660	0.4
67.05490	13.4
69.03403	2.3
69.03757	0.4
69.07059	3.6
70.26568	0.4
71.04971	3.3
73.02898	1.9
75.05846	0.4
79.05477	16.3
81.03398	39.0
81.07039	15.6
83.01331	3.4
83.04957	9.4
83.08599	12.9
85.02891	5.4
85.06516	0.7
88.32227	0.5
91.03925	2.0
91.05466	12.4
93.07026	12.7
95.04940	15.0
95.08591	7.4
97.02899	4.0
97.06509	3.0
97.10147	6.4
99.04443	0.8
105.07008	10.8
107.04945	10.0
107.08576	8.4
109.02853	1.9
109.06505	4.3
109.10124	4.1
111.04436	3.0
111.08085	3.5
115.05428	0.6
117.06991	4.9
119.04910	0.8
119.08556	10.5
121.06486	3.3
121.10141	7.1
123.04385	2.4
123.08029	4.0
125.05962	0.6
125.09605	4.7
126.00220	0.4
127.03900	0.7
129.06964	7.3
131.04916	0.5
131.08522	5.2
133.06471	1.9
133.10114	4.3
135.04410	0.7
135.08026	2.5
135.11674	4.9
137.05968	0.7
137.09619	0.7
142.07770	0.9
143.08554	2.2
145.06485	2.9
145.10086	7.9
147.04405	1.9
147.08063	4.6
147.11700	4.1
149.09586	3.0
153.05527	0.6
153.08975	0.5
153.12749	1.9
155.08501	0.8
157.10100	4.9
159.07986	1.0
161.05905	3.4
161.09593	2.2
163.05975	0.7
163.07555	0.5
163.11162	11.8
171.07970	0.9
171.11613	0.9
173.05949	1.0
173.09583	2.4
175.11189	3.5
181.12234	1.7
183.11639	0.6
185.09618	0.7
185.13177	0.5
189.05475	0.8
189.09274	0.5
189.11205	2.3
191.10716	1.8
193.12187	8.2
195.08093	0.5
199.15269	0.5
201.09123	0.5
201.12825	0.5
205.12184	1.0
209.11778	2.1
211.11195	0.6
211.13263	1.0
213.12695	0.9
227.12752	1.9
229.12373	0.5
231.13799	2.2
243.13895	0.6
249.14886	1.8
261.14862	0.6
265.14285	0.7
267.15878	13.6
269.15439	0.8
271.13232	0.6
273.14893	2.4
283.15350	14.1
289.14462	3.4
306.01602	0.5
312.30157	0.5
327.23111	0.5
337.21497	1.0
355.22498	3.2
365.21085	3.4
383.22086	14.3
401.23212	6.6
419.24225	0.8
431.24100	0.7
439.24561	2.2
457.25781	17.0
475.26819	100.0
476.27008	1.7
493.28061	8.0
517.28314	3.2
533.95734	0.5
541.28027	0.8
571.28607	0.7
601.30249	1.1
619.30914	0.8
777.37256	0.5
890.36005	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05515	2.0
69.03429	2.2
71.08624	2.1
73.02908	5.2
77.46935	1.2
79.05489	2.7
81.03424	1.4
81.07032	2.6
83.08601	1.6
85.02914	7.0
87.61631	1.4
91.03968	2.2
91.05486	2.1
92.09304	5.4
93.07030	2.1
95.04981	1.5
95.08595	1.4
97.02891	6.4
101.02390	1.9
105.07063	2.6
127.03939	2.0
147.11652	1.4
194.10402	1.4
243.08307	1.6
247.13045	1.7
336.65967	1.3
347.09537	2.3
405.13766	6.6
465.21066	8.4
497.30823	2.7
627.26416	8.3
659.36182	7.3
721.44415	1.9
883.50031	100.0
884.50189	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	883.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
67.11242	0.8
68.99773	5.0
69.03419	1.1
71.12408	0.7
75.08080	0.8
76.99386	0.7
79.01830	3.2
82.37017	0.8
96.12524	0.8
97.02861	1.2
107.04906	1.7
111.00817	1.8
111.46038	0.8
122.28161	1.2
123.04406	70.2
125.02353	4.6
127.03926	5.5
135.04387	5.4
139.03877	8.8
140.53036	0.9
143.03375	7.1
143.53749	0.8
147.04417	3.4
151.03897	5.0
153.01813	100.0
153.02847	4.8
155.04871	0.9
159.04376	1.0
161.05991	1.5
163.03876	14.6
169.06464	1.7
173.02368	1.4
173.05972	5.1
175.03928	1.4
177.05498	1.0
179.03355	16.7
183.04404	3.9
185.05956	1.3
187.03854	1.8
189.05431	1.1
193.06619	0.8
197.05972	4.4
201.05501	8.3
203.03476	1.5
203.07010	1.3
213.05508	3.7
221.05988	3.4
225.05380	4.0
229.04904	8.5
239.06975	1.2
241.05086	1.0
243.06430	1.4
245.04489	1.9
247.05968	26.0
247.08278	1.5
249.05481	1.6
253.04900	4.5
255.06519	1.8
257.04492	2.0
259.05978	1.3
267.06577	1.0
269.04428	1.1
271.05963	63.4
283.05905	7.9
287.05505	5.4
295.05942	14.2
299.05545	3.4
315.40375	0.8
331.01077	1.0
331.04504	8.8
382.82236	0.9
409.09213	4.2
417.09360	1.2
421.09109	5.0
441.08044	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	883.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
63.84772	0.2
65.03900	0.3
67.01895	0.3
67.05488	0.3
67.15969	0.2
68.99767	3.4
79.01820	3.5
81.03395	0.3
83.08658	0.2
85.02895	0.3
86.39355	0.2
89.25959	0.2
91.05447	0.4
92.08685	0.3
95.04926	1.0
97.02902	0.5
97.82917	0.3
103.05467	0.4
103.63183	0.2
105.03347	0.4
105.06999	0.4
107.01303	0.6
107.04935	1.1
109.02834	0.3
111.00786	1.1
111.04393	0.4
118.96282	0.2
119.04913	0.6
121.02872	0.4
123.04401	30.7
125.02325	3.2
127.03878	3.8
131.04889	1.4
133.06436	0.3
135.04370	3.2
137.02307	1.3
139.03883	8.5
141.01868	0.2
141.06975	0.3
143.03380	9.1
145.06479	0.4
147.04381	4.5
149.02330	0.5
151.03876	8.4
153.01802	100.0
153.02832	4.4
154.02133	0.3
155.04857	1.0
157.06506	1.1
159.04387	1.3
161.02325	1.2
161.05984	1.7
163.02498	0.4
163.03859	11.6
163.05180	0.5
165.05397	1.2
167.03357	0.4
169.06435	1.3
169.18542	0.2
171.04414	0.5
173.05956	3.1
175.03838	1.4
177.05466	0.8
179.03349	10.0
179.04839	0.5
179.06940	0.2
181.06474	1.3
183.04387	1.1
185.05960	2.0
187.03799	3.4
187.07472	0.3
189.01952	0.2
189.05377	3.6
191.03372	1.4
193.04945	1.8
197.05907	2.7
199.07545	0.3
201.05403	3.5
203.03363	3.9
203.06973	1.8
205.05026	0.4
207.02846	0.4
207.06586	0.4
209.05956	0.4
211.03799	0.3
213.05412	2.4
215.03384	1.3
215.07030	1.2
216.14430	0.2
217.04855	2.0
221.06024	0.3
224.10527	0.5
225.05446	2.0
226.34741	0.3
227.07021	0.6
229.04913	5.6
233.04369	0.4
237.05449	1.9
241.04886	2.5
243.06323	1.7
245.04376	3.5
247.05940	7.6
253.04889	2.0
255.06387	2.1
257.04343	2.4
259.05957	8.9
265.04895	1.6
267.06561	0.4
269.04501	0.9
271.05942	45.2
272.06366	0.4
273.07526	1.3
275.05389	0.4
283.05942	10.6
284.12796	0.9
285.07526	0.3
287.05414	7.4
289.07065	1.2
291.04968	0.3
291.08575	0.4
295.05844	2.2
299.05420	3.5
303.05014	0.9
315.04941	0.9
331.04440	3.3
350.46237	0.2
391.07657	0.3
393.09637	6.2
409.09055	8.4
411.10672	0.4
417.09378	0.3
421.09109	0.4
441.07974	0.5
453.17163	0.5
563.11755	2.2
717.78259	0.3
916.21942	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	883.1712
Annotation	Unknow
Peak:m/z	Relative Intensity
66.60921	0.2
68.99763	2.9
77.03928	0.2
79.01832	3.7
81.03387	0.3
85.02847	0.2
91.05450	0.2
93.03378	0.2
95.04920	0.4
96.64180	0.2
97.02860	0.7
100.27970	0.2
103.05454	0.3
105.03366	0.3
105.81371	0.2
107.01284	1.0
107.04926	0.8
109.02847	0.3
111.00786	1.2
111.04441	0.4
119.04934	0.9
121.02863	0.3
123.04398	30.2
125.02307	3.3
127.03882	3.1
129.06960	0.3
131.04880	1.3
133.06474	0.2
135.04393	2.8
137.02348	1.3
139.03880	7.9
141.01752	0.3
141.06966	0.9
142.52840	0.2
143.03375	7.9
143.04929	0.4
145.02809	0.7
145.06477	0.4
147.04387	4.0
149.02290	0.4
149.05977	0.7
151.03877	9.3
153.01802	100.0
153.02811	4.0
153.06940	0.9
154.02074	0.3
155.04875	0.8
157.06442	1.1
159.04387	1.3
159.07967	0.2
161.02335	0.9
161.05934	1.7
163.03867	9.8
163.07550	0.3
165.05444	0.4
165.06889	0.2
167.03336	0.8
169.06462	1.5
171.04250	0.4
173.05952	2.9
174.06696	0.8
175.03891	2.1
175.07501	0.3
177.05397	0.8
179.03357	9.5
181.06429	0.9
183.04387	1.2
185.05931	1.7
187.03850	4.0
187.07462	0.4
189.05423	2.6
189.09071	1.0
191.03329	1.6
193.04919	2.1
195.31863	0.2
197.05940	2.9
199.03876	0.2
199.07547	0.3
201.05400	3.5
203.03381	3.5
203.06955	1.4
207.02858	0.9
207.06555	0.3
209.05898	0.3
211.03899	0.4
212.13567	0.2
213.05396	2.9
215.03391	1.0
215.06943	1.3
217.04907	2.1
217.06750	0.2
219.10080	2.5
221.05977	0.2
225.05339	2.3
227.06926	0.8
229.04904	4.8
231.02925	0.2
231.06454	0.4
233.04422	0.9
237.05382	1.4
239.06944	0.3
241.04904	1.8
243.06371	1.3
245.04390	3.3
247.05946	6.9
249.05516	0.4
253.04813	2.1
255.06419	3.1
257.04306	2.0
259.05945	8.6
265.04984	1.6
269.04315	1.5
271.05936	43.3
272.06360	0.3
273.07486	1.2
275.05423	0.3
281.04440	0.4
283.05923	10.5
285.07697	0.3
287.05417	8.2
289.06973	0.5
291.04715	0.3
291.08548	0.4
295.05908	2.4
297.07477	0.4
299.05423	3.0
301.07104	0.3
303.04977	0.7
315.04977	0.4
331.04379	3.7
331.94098	0.2
368.50183	0.2
391.07947	0.2
393.09592	7.2
409.09088	10.2
411.10428	0.9
417.09595	0.4
421.09122	0.9
435.10825	0.3
441.07901	1.0
505.82483	0.2
543.12732	0.3
563.11169	1.5
579.10712	0.3
643.62909	0.2
664.40240	0.3
694.70410	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.5409
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	19.6
69.03397	3.9
69.07047	10.1
71.04969	3.8
71.06936	0.8
71.08611	19.3
71.99129	0.8
73.02899	3.9
79.05476	16.3
81.03395	43.1
81.06589	1.5
81.07034	26.5
83.04955	10.6
83.08602	23.3
85.02890	30.0
85.06530	1.9
85.10166	11.2
91.03940	7.6
91.05458	19.0
93.07013	13.0
95.04951	18.0
95.08582	21.0
97.02859	10.0
97.06493	3.6
97.10154	7.1
103.07542	1.1
105.07010	14.0
107.04914	6.2
107.08564	5.8
109.06509	3.6
109.10120	5.0
111.04383	0.9
111.08074	7.8
113.05923	1.0
116.79199	0.8
119.08548	14.7
121.10131	7.7
123.07950	1.0
123.11687	4.5
126.78152	0.8
127.03816	1.1
129.06969	9.0
131.08537	8.0
133.06422	1.5
133.10139	8.7
137.09613	1.3
145.04977	1.4
147.08025	1.9
147.11638	10.7
149.09581	4.3
157.10121	11.6
163.05988	1.7
165.12679	1.4
175.11128	12.6
193.12202	33.1
197.80397	1.0
211.13239	31.4
239.23705	1.6
267.15897	13.8
285.16861	46.0
313.27319	52.4
474.76929	0.9
505.38733	14.1
523.39832	100.0
524.40332	3.4
718.09882	0.9
772.07513	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	882.541
Annotation	Unknow
Peak:m/z	Relative Intensity
64.33326	0.8
65.33197	0.5
67.05497	12.9
69.03427	3.8
69.07060	8.2
70.27192	0.6
71.04985	1.3
71.08617	18.2
73.02910	3.1
75.08718	0.6
79.05482	9.6
81.02929	1.3
81.03406	34.0
81.07040	21.3
83.04979	8.2
83.08604	19.3
85.02898	19.6
85.10172	7.5
91.03961	3.6
91.05460	13.1
93.07034	9.3
95.04945	13.6
95.08587	14.5
97.02892	4.7
97.06522	0.9
97.10163	4.0
103.07529	0.7
105.07011	10.0
107.04944	3.0
107.08573	4.9
109.06516	1.3
109.10146	8.0
111.04495	0.9
111.08079	5.2
113.06007	0.9
115.05469	0.7
117.07027	0.7
119.08562	8.4
121.10146	4.1
123.08078	1.6
123.11726	2.5
129.07013	5.2
131.08556	4.5
133.06522	0.9
133.10121	3.6
137.09663	0.7
142.07782	1.6
145.04948	0.8
145.10077	0.9
147.08098	1.4
147.11697	7.8
149.09613	4.3
157.10118	8.5
163.11166	1.2
163.53748	0.8
165.12712	1.0
175.11198	8.4
193.12230	24.3
211.13260	24.9
223.00876	0.7
257.24725	1.1
259.25452	0.7
267.15894	8.3
283.15396	1.1
285.16922	20.9
313.27328	35.1
314.27765	3.4
364.27017	0.8
376.24460	0.7
407.48099	0.8
505.38776	4.9
522.38684	1.5
523.39856	100.0
524.40271	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	880.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	14.2
61.50047	0.6
67.05489	14.6
69.03414	3.8
69.07057	8.0
71.01345	0.7
71.04974	3.3
71.08611	23.1
73.02891	6.5
79.05476	16.0
81.03386	11.0
81.07037	23.0
83.01321	10.3
83.04972	8.8
83.08604	17.5
85.02891	19.4
85.06521	1.0
85.10161	13.1
88.02103	0.7
89.06007	1.1
91.03925	10.1
91.05453	8.6
92.09270	1.0
93.07014	17.8
93.07552	0.8
95.04944	4.2
95.08585	19.9
97.02871	11.3
97.06508	3.2
97.10143	4.8
99.04430	3.0
105.06995	7.5
107.04945	6.6
107.08580	11.9
109.06501	7.9
109.10126	7.4
111.04433	1.1
111.08086	1.0
111.11709	0.7
117.06992	7.2
119.08527	6.9
121.06458	2.9
121.10117	5.4
123.08035	8.0
123.11678	3.2
125.05944	1.0
125.09615	0.7
127.03877	4.4
129.07062	0.8
131.08565	0.8
133.10112	1.4
135.08012	2.9
135.11699	10.1
137.09621	1.2
145.04947	3.1
145.10104	14.2
147.08041	1.6
153.12762	3.2
155.20058	0.8
163.06024	3.3
163.11139	20.8
173.09618	4.4
181.12198	3.4
191.10591	3.2
209.11685	3.5
219.74487	0.7
227.12749	3.0
239.23686	0.8
257.24689	2.9
283.15332	100.0
313.27307	88.0
314.27939	0.7
344.28860	0.8
406.99319	0.8
499.53552	0.8
521.38245	61.1
522.38293	1.3
538.62292	0.7
604.31519	0.8
662.24792	0.8
703.60754	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5259
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	11.0
61.52435	1.0
67.05492	23.8
69.03418	4.8
69.07057	29.5
71.04969	1.9
71.08601	1.6
73.02900	2.3
73.13845	1.0
79.05474	21.7
81.03405	36.9
81.07046	34.3
82.30936	1.0
83.04965	9.8
83.08611	25.3
85.02425	1.6
85.02895	27.6
85.06500	1.4
86.09682	2.3
91.03933	6.2
91.05457	23.7
93.07029	19.1
95.04957	15.6
95.08594	20.1
97.02855	9.3
97.06512	5.1
97.10156	9.9
103.06798	1.0
105.07010	18.8
107.04939	4.6
107.08575	11.1
109.06488	4.6
109.10137	7.6
111.08081	8.5
111.11700	2.5
113.05982	1.8
119.08576	12.6
121.10129	13.7
123.08057	1.1
123.11672	4.2
125.09581	2.5
129.06990	6.0
131.08562	6.8
133.10117	5.4
135.11685	6.2
142.07739	1.6
145.04926	1.6
147.08083	1.9
147.11665	8.7
149.09605	4.5
149.13235	5.2
157.10118	10.3
175.11160	10.2
184.07332	5.6
184.08804	1.1
184.27789	1.2
193.12198	23.3
199.84921	1.2
211.13275	19.4
237.22141	1.6
267.15897	10.4
285.16858	25.7
311.25742	56.4
385.21408	1.2
503.37305	15.1
521.38257	100.0
645.19647	1.2
880.50629	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.5254
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	14.7
67.05495	31.5
69.03406	4.2
69.07063	29.0
71.05011	3.7
73.02879	6.2
76.85758	2.9
79.05474	31.4
81.03398	49.8
81.07035	41.4
83.04964	16.3
83.08598	35.6
85.02903	36.4
91.03950	4.0
91.05467	22.8
93.07024	21.4
95.04922	21.5
95.08581	25.9
97.02869	5.8
97.06547	4.2
97.10155	13.3
105.07031	20.4
107.08603	12.7
109.06512	3.4
109.10130	5.7
111.08047	11.0
113.06004	3.1
119.08565	18.6
121.10115	18.3
121.89395	3.2
123.11667	3.0
125.09651	2.7
129.07014	6.9
131.08554	4.8
133.10158	12.8
135.11633	5.8
147.11678	11.4
157.10156	5.5
175.11185	12.0
193.12241	28.8
211.13280	34.5
267.15958	6.9
285.16879	47.9
311.25726	55.3
503.37259	14.6
521.38239	100.0
886.31427	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	882.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
64.03590	0.6
67.05503	16.4
69.03415	4.8
69.07055	10.1
70.73686	0.6
71.04993	3.0
71.08617	19.8
73.02901	3.2
73.67642	0.8
79.05474	13.2
81.03400	34.1
81.07040	23.7
83.04958	9.4
83.08607	16.0
83.97952	0.6
85.02888	24.3
85.03365	1.2
85.06518	0.9
85.10176	11.7
87.04441	1.3
91.03930	5.7
91.05464	16.9
92.08572	1.3
93.07023	8.9
94.36053	0.7
95.04945	10.8
95.08585	21.2
96.85024	0.7
97.02879	7.4
97.06516	2.6
97.10162	3.9
97.85700	0.8
105.07002	13.1
107.04951	4.5
107.08600	4.0
109.06494	1.7
109.10144	9.2
111.08082	4.0
113.06031	0.9
114.31174	0.7
117.06998	1.5
119.08565	12.5
121.10122	4.9
121.56007	0.6
121.70901	0.7
123.11700	3.8
124.35909	0.7
127.03933	0.9
129.07001	6.6
129.40419	0.7
131.08566	5.4
133.06494	1.2
133.10075	6.9
137.09578	1.0
137.13235	0.8
142.07777	1.6
145.04924	1.0
147.08054	1.1
147.11697	8.9
149.09613	3.3
157.10094	7.9
163.05981	1.0
165.12779	1.2
175.11157	8.9
193.12186	19.9
202.07111	0.8
211.13264	16.4
239.23830	1.4
257.24658	2.7
267.15829	9.0
278.45862	0.7
285.16913	22.9
313.27322	59.5
319.30057	0.8
351.44122	0.8
469.43518	0.9
505.38712	15.9
523.39844	100.0
524.40387	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	4.8
67.05487	15.6
67.17658	0.3
69.03388	2.2
69.06710	0.5
69.07052	11.0
71.04947	2.0
71.08612	22.9
73.02895	2.3
73.48931	0.4
73.72161	0.3
73.73083	0.3
74.79609	0.3
79.05470	20.5
81.03379	1.9
81.07031	24.6
83.01283	0.4
83.04958	3.6
83.08117	0.6
83.08598	14.5
85.02879	5.2
85.06508	0.7
85.10167	13.3
89.05991	1.5
91.03925	2.7
91.05453	5.8
91.54596	0.3
93.07018	32.4
94.83918	0.3
95.04942	6.6
95.08578	48.0
96.04448	0.4
97.02867	6.2
97.06519	2.9
97.10144	5.2
99.04436	4.4
103.05431	0.4
103.07547	1.9
103.39170	0.4
105.07016	6.5
107.04933	8.3
107.08573	25.8
108.08884	0.3
109.02886	0.4
109.06463	1.3
109.10133	10.2
111.04404	1.4
111.08039	0.8
111.11686	0.6
113.05969	0.5
113.09573	0.6
117.06989	7.9
119.08558	9.4
121.06485	6.3
121.10119	13.9
123.08011	0.7
123.11686	4.0
125.05955	3.0
125.09471	0.4
125.13248	0.4
130.07761	1.4
131.08492	0.4
133.09186	0.4
133.10075	3.0
135.08066	2.6
135.11664	52.8
137.13197	1.6
139.07504	1.6
139.11160	0.4
143.08476	1.3
145.04941	0.6
145.10095	33.8
147.08046	0.5
151.14706	0.4
153.12709	0.7
155.08543	0.4
163.11143	69.6
171.03386	0.4
173.09604	0.8
181.10689	0.7
181.12193	12.6
184.07288	0.5
191.10606	0.3
209.11676	1.3
227.12733	61.6
228.13078	0.6
239.23598	2.3
257.24637	3.7
283.15329	75.0
284.15753	0.5
299.08640	0.3
313.27292	92.6
314.27484	0.7
338.50662	0.3
521.38251	100.0
522.38379	2.6
588.02948	0.4
600.97662	0.3
766.87299	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.5277
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	7.4
61.56610	0.8
65.03929	1.1
67.05495	7.7
69.03423	4.5
69.07059	4.7
70.97967	0.9
71.04984	0.9
71.07371	0.9
71.30335	1.0
73.02914	4.7
79.05473	8.6
81.03389	2.0
81.07052	8.6
85.02908	6.0
85.06581	0.9
86.09689	10.6
91.03939	2.3
91.05466	8.3
92.09093	1.6
93.07029	8.6
95.04924	3.6
95.08617	5.1
97.02885	4.1
97.06542	1.5
101.02318	1.0
105.06998	7.9
107.04953	1.3
107.08614	6.5
117.07051	1.7
119.08599	5.8
121.10160	1.5
125.00010	5.4
127.03928	1.0
129.07008	1.0
131.08539	2.3
133.10155	4.1
143.08513	1.0
145.10120	1.8
147.11655	1.4
149.13347	1.3
157.10115	1.4
184.07292	20.0
185.04312	1.1
243.08516	4.1
301.08875	1.9
315.10599	1.0
365.23099	4.9
465.21100	1.1
506.07907	1.2
535.28674	11.1
551.28864	1.1
583.30908	5.5
600.21191	1.0
702.37036	1.1
791.41974	5.1
877.52368	100.0
878.52350	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	877.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	3.8
67.05492	5.7
68.58777	0.9
69.03420	1.6
69.07053	2.1
71.04964	1.0
71.98961	0.8
72.19277	0.9
73.02899	1.7
73.28810	0.9
79.05488	4.2
80.51826	0.8
81.03432	1.3
81.07039	4.3
83.08591	1.4
84.10301	0.9
85.02910	4.1
86.09701	4.1
90.54826	0.9
91.03925	1.5
91.05466	4.7
93.07024	5.5
93.45168	0.9
95.07702	0.9
95.08579	3.8
97.02866	4.8
99.04439	1.1
101.02344	1.4
105.07010	2.4
107.08573	2.0
109.10120	1.5
115.27048	0.9
119.08578	1.7
125.00008	1.6
142.11592	0.9
151.07526	1.0
166.95166	0.9
184.07352	4.7
238.55754	1.0
243.08423	4.8
263.21313	1.0
276.59927	0.9
283.20258	0.9
314.75507	1.0
317.21109	0.9
365.22906	3.5
438.25320	1.0
535.28784	3.6
551.28137	1.6
583.30615	9.2
791.41046	1.7
811.30902	1.3
877.51984	100.0
878.51337	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	878.5467
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	4.2
65.03915	0.7
67.05494	27.3
69.03413	1.9
69.07053	9.6
71.04961	0.8
71.08617	16.1
73.02895	2.5
73.06549	0.7
75.97639	0.3
79.05477	35.0
81.03008	0.4
81.03402	4.1
81.07040	27.4
83.04968	8.3
83.08606	7.4
83.52945	0.3
85.02892	4.7
85.06534	2.0
85.10170	9.6
89.06010	1.4
91.03948	2.8
91.05463	30.0
92.09367	0.8
93.07023	35.9
95.04954	11.1
95.08587	22.9
95.84502	0.3
97.02879	3.3
97.06511	2.1
97.10148	5.1
105.04534	0.8
105.07013	19.9
107.04958	3.7
107.08580	9.6
109.06522	3.0
109.10146	7.5
111.08038	0.8
111.11719	0.4
113.09597	0.4
115.05427	0.4
117.07005	5.4
119.08563	15.1
121.06474	1.7
121.10111	2.7
123.08069	2.7
123.11673	2.1
127.03862	0.5
127.07523	0.5
128.06187	0.6
129.06987	9.8
131.08527	1.9
133.10120	5.6
135.08049	0.5
135.11726	0.6
143.08536	6.0
145.10069	5.7
147.08040	0.9
147.11667	20.1
156.09322	0.6
159.11632	0.5
160.11116	0.4
161.09608	2.0
161.13226	5.7
163.05960	0.5
163.11252	0.5
171.11652	13.2
189.12708	4.3
199.63258	0.3
207.13766	11.5
225.14879	0.4
239.23750	1.6
257.24823	1.5
281.17422	40.5
313.27328	38.8
395.00278	0.3
396.66779	0.4
420.76901	0.4
468.97430	0.4
519.40369	100.0
520.40771	3.5
537.40997	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	880.3433
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	0.5
65.03992	0.4
69.03414	2.1
71.04973	78.7
73.02892	2.3
75.04459	3.7
81.03421	0.6
83.04967	6.4
85.02886	100.0
87.04473	1.7
91.03959	0.4
97.02871	3.6
99.04411	0.8
109.02869	0.8
111.04439	4.3
119.81828	0.4
121.02868	0.5
127.03862	3.9
129.05446	31.3
139.03868	4.5
145.04913	4.3
146.08215	0.4
147.06485	14.0
149.02309	7.2
151.03799	0.7
153.01826	10.7
164.09113	4.2
167.03383	1.9
187.17139	0.5
195.02927	2.4
198.61342	0.5
219.02975	0.7
229.04817	1.9
235.12027	0.5
237.07443	0.5
247.06001	4.5
251.14850	0.8
255.08646	1.7
273.09750	2.9
275.05444	7.1
303.05054	2.0
309.11777	7.5
315.26892	0.5
321.05963	20.9
377.27936	0.6
467.11603	1.8
471.53360	0.5
678.60889	0.5
693.34875	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	5.4
67.05490	17.3
69.03416	4.8
69.07040	5.1
71.07359	2.5
72.00195	2.7
73.02907	4.0
79.05473	13.1
80.05795	2.2
81.03410	3.5
81.07039	20.2
83.08619	2.7
85.02901	4.6
86.09690	49.2
87.10001	2.9
89.46037	2.6
91.03941	3.7
91.05448	19.2
93.07047	19.2
95.04976	5.0
95.08581	11.1
97.02870	5.7
97.06513	4.5
97.10105	3.1
98.98454	3.1
105.06995	19.3
107.08587	13.1
109.10161	5.2
111.04417	2.2
117.07028	3.3
119.08569	10.9
121.10097	3.7
123.08160	2.5
124.99993	33.8
129.07014	4.8
131.08545	10.9
133.10120	4.3
145.10141	4.6
157.10153	2.6
159.95329	2.3
171.11682	4.1
184.07288	100.0
185.07692	13.0
186.65326	2.7
189.12860	2.7
243.08347	4.4
349.19614	5.1
465.20889	26.6
551.27875	4.0
567.27667	10.6
749.39429	2.9
791.41516	97.3
792.40991	2.9
859.47510	15.2
876.47699	12.1
877.49005	83.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4912
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.9
61.98420	1.4
67.05498	8.0
69.07056	2.3
70.87976	1.6
73.02913	2.5
73.89631	1.6
79.05482	2.9
81.03393	3.0
81.07049	6.8
85.02903	2.7
86.09673	17.4
91.05461	2.6
93.07042	3.1
95.08573	3.1
97.02880	6.1
107.08584	3.8
109.10208	1.8
125.00012	10.7
147.31068	1.6
154.71585	1.9
156.13486	1.9
184.07288	41.4
185.07558	2.2
190.37752	1.9
222.43781	1.7
243.08386	3.3
272.06223	1.7
304.55710	1.9
333.20517	1.9
342.06638	1.7
551.28381	2.5
567.27521	3.9
595.77234	1.8
877.48871	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	877.4914
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	4.7
63.08197	0.7
67.05500	6.3
69.03418	3.6
69.07066	5.2
73.02898	5.1
79.05486	4.0
79.13042	0.7
79.25846	0.9
81.03410	1.7
81.07043	9.4
83.08632	1.9
85.02910	4.9
85.53660	0.8
85.70998	0.7
86.09710	6.3
91.03935	2.2
91.05470	4.9
93.07053	4.6
95.04967	3.8
95.08600	4.6
96.72147	0.9
97.02876	4.7
97.06499	0.9
97.10154	1.6
101.02372	1.7
105.07079	4.3
107.04959	4.0
107.08607	4.6
109.06493	1.2
109.10172	1.5
117.07020	1.6
119.08586	4.3
121.10148	3.7
123.08092	1.4
125.00011	4.4
125.09637	1.1
133.10164	1.9
145.10138	1.3
147.11633	1.0
151.07607	4.4
184.07291	11.5
197.13373	1.1
204.11760	1.0
227.78586	1.2
243.08461	6.1
333.20331	1.1
349.19949	3.9
551.28302	10.8
567.28046	5.3
877.48981	100.0
878.49469	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	877.4916
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02925	5.3
66.69275	1.1
67.05492	13.3
68.05827	1.2
69.03422	5.7
69.07063	2.5
73.02905	4.0
79.05472	8.3
81.07047	10.3
83.04978	2.1
83.08609	2.3
85.02919	4.9
86.09703	4.3
91.03954	2.1
91.05455	8.8
92.08849	1.2
93.07043	8.1
94.07333	1.4
95.04982	2.4
95.08607	6.5
97.02889	4.6
97.10166	2.1
100.52903	1.0
100.92847	1.1
101.95973	1.0
105.07011	8.4
107.04926	1.8
107.08595	6.1
109.06547	1.6
109.10162	4.6
117.07037	2.2
119.08581	5.3
121.06481	1.2
121.10106	3.9
123.08009	1.3
125.09597	1.3
125.15092	1.0
127.03873	1.1
129.06947	1.4
131.08571	5.4
133.10136	4.3
135.11650	1.7
137.09662	1.2
143.08557	1.5
145.10135	2.2
147.11700	4.3
169.10147	1.5
184.07300	12.7
184.08688	1.0
205.85243	1.0
243.08380	5.7
279.79120	1.2
333.20319	5.7
439.57315	1.1
506.10580	1.3
551.28540	8.4
567.27557	9.5
576.02045	1.2
801.70697	1.2
877.49017	100.0
878.49408	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	875.5119
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.0
67.05494	11.5
69.03409	2.8
69.07059	6.8
73.02918	3.3
75.29014	1.4
79.05497	9.0
81.03411	3.0
81.07034	10.7
83.08592	1.7
85.02918	8.5
86.09728	1.6
90.73464	1.4
91.03976	1.9
91.05473	7.3
93.07049	7.5
95.04955	2.6
95.08624	8.0
97.02888	3.4
105.07067	8.1
105.27927	1.4
107.04996	2.1
107.08635	2.2
109.10172	1.8
113.13148	1.5
117.07027	1.9
119.08596	2.8
121.10169	3.0
124.99979	1.9
131.08600	2.6
133.10115	2.3
145.10228	2.3
159.11674	2.4
168.09352	1.6
184.07436	8.0
274.20743	1.6
315.19226	3.4
365.23001	2.8
533.27527	9.9
549.27197	1.6
583.31372	3.1
758.63031	1.8
875.50891	100.0
876.51544	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	877.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	3.8
67.05492	5.5
69.03410	2.4
69.07043	3.8
71.04980	1.1
73.02897	3.4
74.59086	0.3
79.05475	5.4
79.05901	0.3
81.03403	2.9
81.07037	4.8
83.04972	2.0
83.08600	2.9
85.02886	4.1
86.09696	2.6
87.04450	0.3
87.65249	0.3
91.03923	2.9
91.05456	3.2
93.07021	4.4
94.89611	0.3
95.04436	0.4
95.04932	3.1
95.08581	2.6
97.02869	4.0
97.06554	0.6
97.10155	1.9
99.04464	1.7
101.02355	2.1
103.05479	0.3
105.07008	3.5
107.04970	1.5
107.08574	3.7
109.02857	0.4
109.06533	0.4
109.10170	1.3
111.04420	2.4
111.08058	0.6
115.05498	0.3
117.07044	1.3
119.08533	2.2
121.06551	0.4
121.10164	1.9
123.08068	1.8
124.99956	2.3
125.06025	0.3
125.09641	1.6
127.03950	0.5
129.05511	0.3
131.08572	1.4
133.10176	1.3
135.08044	0.5
135.11690	1.4
137.09665	0.4
143.08549	0.5
145.05061	0.3
145.10147	1.8
147.08063	0.5
147.11685	1.1
149.09630	1.8
157.10098	0.3
159.11722	1.4
163.11125	2.0
175.11258	0.4
184.07310	5.9
185.04227	1.2
185.07773	0.4
223.13525	0.4
232.97337	0.3
243.08327	4.3
275.20108	0.5
291.19498	0.3
301.08960	1.3
313.08972	0.5
315.10452	0.4
333.20184	2.4
349.19861	3.4
383.16772	0.5
385.18512	0.4
389.23007	1.3
405.22519	0.5
415.15488	0.4
551.28204	10.2
567.27502	6.3
623.30475	1.2
637.31201	0.3
707.86102	0.3
761.40167	0.4
766.99420	0.3
829.52618	0.4
877.48993	100.0
878.48779	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	875.4759
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02914	5.1
67.05491	11.4
69.03426	3.8
69.07059	4.6
70.47010	0.7
71.04971	1.7
71.32282	0.6
73.02905	3.9
74.73492	0.6
76.55730	0.7
79.05469	8.7
81.03387	1.5
81.07034	9.9
82.07388	0.7
83.04975	1.4
83.08616	3.7
85.02912	5.0
86.09708	1.8
91.03921	1.4
91.05457	7.8
93.07023	8.3
95.04954	4.5
95.08558	5.9
97.02877	2.9
97.06537	1.0
97.10155	1.7
99.04418	1.3
101.02407	0.8
105.07021	8.1
107.04915	1.7
107.08567	6.1
109.02890	1.1
109.06541	0.8
109.10138	3.2
111.04450	1.5
111.08083	1.6
117.06995	1.4
119.08540	6.8
121.06513	0.9
121.10116	3.6
123.08046	1.5
125.09595	1.0
127.03851	0.9
131.08577	2.8
133.10120	4.1
135.08026	1.3
135.11742	3.1
143.08545	1.1
145.10129	1.4
147.11703	1.3
149.09612	1.2
151.07498	1.4
157.10112	1.2
159.11722	1.4
163.11267	2.8
173.13266	1.0
184.07269	6.2
184.53535	0.9
192.08867	0.8
243.08324	6.9
259.20560	0.8
275.20093	1.4
333.20316	1.2
349.23615	0.9
551.28113	10.5
565.25970	4.7
573.85992	0.9
784.81067	0.9
875.47388	100.0
876.48114	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	875.4747
Annotation	Pectenotoxin 1
Peak:m/z	Relative Intensity
61.02913	5.0
67.05492	4.7
69.03424	2.8
69.07065	4.9
71.04961	1.4
72.84631	1.0
73.02904	4.4
77.84866	1.1
79.05489	6.7
81.03400	1.6
81.07032	14.2
83.05030	1.1
83.08632	1.7
85.02901	6.7
86.09714	2.4
91.03951	4.7
91.05472	6.3
93.07050	7.6
95.04922	1.2
95.08591	6.4
97.02901	5.8
99.16998	1.2
101.02353	1.9
105.07026	5.0
107.08588	4.3
119.08555	2.7
121.10184	1.6
123.08066	1.3
124.99986	1.2
131.08569	2.3
133.10123	2.0
135.08063	2.2
147.11707	2.3
159.11702	1.3
162.18866	1.0
184.07346	5.8
239.83775	1.4
239.92476	1.5
243.08478	6.2
288.46939	1.2
333.20276	2.5
401.76898	1.3
551.28156	9.5
565.25970	2.5
716.78168	1.5
875.47382	100.0
876.48230	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	875.3874
Annotation	Unknow
Peak:m/z	Relative Intensity
61.00101	0.6
61.02914	8.1
67.05489	3.5
69.03413	5.0
69.07020	0.8
71.04973	0.9
73.02551	0.7
73.02895	6.8
78.06390	0.6
79.05488	4.2
81.03398	6.3
81.07038	3.9
83.04990	1.0
83.08610	2.4
85.02885	11.8
87.71646	0.6
91.03937	5.2
91.05458	3.2
93.07034	2.8
95.04957	3.3
97.02891	7.6
97.10149	0.7
99.04419	1.1
101.02390	2.4
105.07023	2.9
107.04967	1.6
107.08596	1.0
109.02869	1.5
109.10152	1.2
115.03936	0.7
119.08581	1.4
121.10194	1.0
123.04250	0.9
124.19775	0.6
127.03905	3.3
128.09357	0.6
129.05486	2.6
131.08559	0.8
133.10135	1.6
143.08012	0.7
149.09642	0.9
175.11194	1.1
185.04207	4.4
193.12274	2.6
201.03752	3.7
203.05235	1.1
211.13454	0.8
243.08475	1.6
251.12602	3.8
267.15869	0.7
277.13998	0.9
289.09048	0.7
291.15714	0.9
301.08905	4.8
315.10873	1.0
319.09952	2.6
329.08475	1.3
347.09402	17.5
349.16190	1.7
363.08871	8.5
373.11404	0.8
383.16986	0.8
385.18240	2.8
387.34283	0.8
395.16666	1.0
405.13437	6.5
433.25647	1.0
443.18860	0.8
463.14050	12.1
469.20618	4.7
477.15768	2.7
527.21210	4.3
529.22736	1.0
535.16394	3.0
545.22168	3.5
547.23444	7.1
557.21948	1.3
577.20959	0.9
601.24768	0.8
605.23767	5.2
611.29944	1.1
631.25574	11.5
645.26746	1.1
647.25836	1.6
661.26282	2.6
673.26068	1.1
690.27588	2.3
703.27399	6.8
731.31158	1.6
745.34320	1.2
773.35486	3.9
774.36499	1.1
815.35950	0.8
829.37555	0.8
857.37183	1.1
858.39154	0.8
875.38599	100.0
876.38885	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	874.5139
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	11.2
65.03922	1.1
67.05488	61.7
69.03410	1.3
69.07051	18.4
71.01318	4.0
71.04977	5.1
72.17248	0.6
73.02888	1.3
79.05469	54.4
81.03399	5.8
81.07034	50.7
83.04959	9.6
83.08620	5.2
83.09020	0.6
85.02889	10.1
85.06520	3.4
90.05581	0.6
91.03949	4.2
91.05457	25.4
93.07019	66.4
95.04928	6.0
95.08581	31.2
97.02868	5.6
97.06496	9.7
97.10155	7.2
99.08047	0.8
105.04488	1.0
105.07000	17.1
107.04915	2.8
107.08569	39.0
107.09293	1.3
109.06483	1.4
109.10126	14.3
111.08052	2.2
117.06984	8.6
119.08550	14.2
121.06491	0.8
121.10117	18.6
123.11671	4.0
125.09586	1.0
127.03898	0.7
129.06943	1.2
131.08519	9.4
132.75615	0.7
133.10101	10.1
135.11661	38.0
137.09575	1.5
142.07834	0.7
143.08519	2.8
145.04942	1.5
145.10081	12.5
147.11647	4.8
149.13210	4.3
149.75177	0.6
153.12660	2.4
157.10088	2.2
159.11684	5.2
161.13202	3.0
163.11098	4.5
163.14740	1.3
171.11592	1.2
173.13177	3.6
175.14806	0.7
181.12213	3.9
184.14664	0.6
187.14758	1.4
197.99432	0.6
199.13156	1.0
243.21030	2.7
253.14189	0.8
255.15837	39.6
259.20593	1.3
261.22018	8.9
265.74887	0.7
333.24133	0.8
335.25711	32.0
423.32666	1.0
455.31552	0.8
501.31824	0.7
515.37183	100.0
516.37238	0.9
533.38019	3.6
680.22113	0.7
700.88892	0.6
745.45105	0.8
874.44983	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	874.5144
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	16.7
65.03937	4.2
67.05493	91.7
69.03416	5.2
69.04738	1.0
69.07056	29.0
71.01337	2.5
71.04967	5.3
72.65450	1.0
73.02900	5.9
76.91451	1.0
79.05476	80.9
81.03396	8.1
81.07041	69.5
83.04960	13.2
83.08599	10.4
84.36414	1.2
85.02884	17.8
85.06530	4.6
90.65199	1.1
90.70365	1.0
91.03938	8.0
91.05467	43.7
91.41637	1.2
92.09271	2.5
93.07024	95.8
95.04944	12.5
95.08591	40.0
97.02885	11.3
97.06522	16.1
97.10146	13.1
99.04404	1.8
99.08072	1.8
103.05486	1.3
105.04558	1.6
105.07009	23.4
107.04930	2.5
107.08578	65.1
109.06522	2.7
109.10136	21.7
111.08033	2.3
117.07021	10.3
119.08568	22.4
121.10117	22.0
123.08067	2.1
123.11625	2.3
123.13486	1.1
125.09642	1.6
125.83921	1.2
128.06210	1.4
129.07002	1.7
131.08551	11.7
133.10097	17.2
135.08031	1.7
135.11673	75.7
137.09605	1.6
139.92789	1.2
143.08553	3.0
145.04884	1.3
145.10098	20.9
147.11679	8.0
149.13271	6.4
157.10144	1.7
159.11681	5.7
161.13246	4.5
163.11154	8.0
169.10127	1.6
173.13234	5.7
175.14821	1.2
181.12166	10.9
187.14812	1.9
243.20973	2.4
253.14311	2.6
255.15854	96.9
261.22076	11.7
335.25769	46.9
336.26328	1.6
423.32510	2.1
515.37213	100.0
533.38293	7.3
728.77661	1.3
874.44897	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	872.572
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02909	2.8
62.07024	1.0
65.03922	2.7
66.69308	1.0
67.05491	100.0
69.03419	6.2
69.07053	43.5
71.04973	8.7
72.16312	1.2
79.05476	72.1
81.03394	13.0
81.07037	74.9
83.04965	9.7
83.08605	20.0
85.02898	3.1
85.06514	6.0
91.05460	64.6
92.05807	2.1
92.08704	3.4
93.07023	64.3
95.04953	19.1
95.08590	44.6
97.02869	2.9
97.06512	15.2
97.10152	10.4
103.05454	2.5
105.07014	64.1
106.07343	2.4
107.04939	13.4
107.08580	38.2
108.08916	1.3
109.02851	1.7
109.06522	7.0
109.10144	42.3
111.08077	7.0
112.14498	1.4
115.05399	2.1
117.06983	23.5
119.07714	2.4
119.08558	49.4
120.08857	1.5
121.06476	2.9
121.10133	19.9
123.08047	8.3
123.11683	3.0
125.09605	7.1
129.05475	1.9
129.06961	12.8
131.08551	27.6
133.06430	1.6
133.10107	35.5
135.08052	5.0
135.11681	12.4
135.78485	1.2
137.09642	5.5
139.69267	1.3
141.06960	2.5
142.07790	1.6
143.08527	14.7
145.06450	1.7
145.10100	24.5
146.10643	1.7
146.49017	1.4
147.08023	2.2
147.11665	26.5
149.09587	13.1
149.13234	7.6
151.11151	5.9
155.08560	8.3
155.41919	1.2
157.10080	11.4
159.11679	17.5
161.13220	14.5
163.11172	8.4
167.08493	1.6
169.10092	6.2
171.11641	12.4
173.11713	7.5
173.13257	9.3
175.11142	1.9
177.12828	4.9
179.14314	2.6
181.10081	1.7
183.11685	8.0
184.07317	6.2
185.13239	8.1
187.14867	3.0
189.11162	2.2
189.12715	1.8
195.11679	2.9
197.13309	2.5
199.14810	2.0
211.14775	1.5
223.13113	1.7
227.12646	2.1
229.14319	17.1
241.19473	5.2
246.73680	1.3
255.15828	1.9
257.18835	4.5
259.20499	21.8
260.49890	1.5
269.17383	2.4
275.20020	21.4
291.19476	2.2
315.23364	1.9
327.23068	1.4
333.24219	14.1
349.23572	13.8
423.26764	1.5
449.28894	1.5
487.33954	7.5
503.33142	1.8
505.35312	18.7
513.35321	2.4
525.08862	1.4
527.37097	15.0
529.34894	1.9
543.36707	11.3
544.37024	2.8
545.37207	5.7
576.46527	1.5
607.43433	12.2
623.42444	2.3
624.43054	2.6
625.44299	11.3
635.39636	1.8
657.43640	1.3
689.41974	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	872.5724
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.8
65.03919	5.2
65.38050	1.3
67.05493	100.0
69.03414	10.3
69.06674	1.2
69.07052	41.1
71.04974	17.7
79.05473	76.2
81.03397	14.4
81.07034	89.4
83.01421	1.3
83.04964	13.9
83.08589	20.7
85.02887	3.3
85.06516	3.0
86.09667	1.6
91.05458	80.2
93.07021	79.6
95.04945	29.4
95.08587	58.8
97.02869	6.1
97.06498	22.1
97.09600	1.3
97.10151	7.6
99.04414	2.6
99.08070	2.3
103.05458	2.2
105.04485	2.1
105.07009	75.5
107.04943	18.9
107.08569	47.1
109.06495	14.3
109.10142	36.1
111.04473	2.0
111.08059	6.2
113.09651	2.4
115.05442	2.8
116.04626	1.6
117.06979	31.5
119.08557	52.7
121.06489	7.3
121.10101	27.8
123.08024	10.3
123.11686	5.7
125.09623	8.0
127.03869	1.3
128.06155	2.9
129.05472	2.1
129.06973	17.9
130.07765	2.1
131.04930	1.8
131.08540	42.5
133.06464	2.1
133.10104	40.5
135.08063	8.2
135.11659	16.3
137.05983	2.6
137.09579	9.3
139.11171	2.2
141.07016	6.4
142.07761	2.9
143.08545	19.2
144.09337	1.6
144.46788	1.3
145.10112	33.8
147.08078	2.5
147.11691	17.0
149.09612	16.3
149.13229	7.9
151.07552	2.1
151.11192	6.4
155.08549	10.6
156.09286	1.8
157.10078	21.5
159.11662	22.7
161.09576	3.1
161.13234	12.3
163.11159	13.2
165.12738	1.5
167.08543	3.4
169.10100	12.0
171.11617	13.3
173.09688	2.0
173.11699	5.1
173.13242	11.5
175.11168	6.5
175.14821	5.8
177.12741	2.6
179.08362	1.4
181.10094	5.9
183.11649	11.5
184.07207	2.3
185.09601	2.0
185.13239	6.6
187.11180	2.0
187.14807	5.1
191.14421	1.7
193.10133	1.5
195.11618	2.1
197.13290	8.2
199.14774	5.8
207.11703	1.9
209.13289	2.7
211.14890	2.3
213.16530	1.9
217.15753	1.6
223.13116	5.8
227.12642	3.2
229.14320	10.3
239.18027	2.2
241.19482	5.3
257.07971	2.8
257.18906	5.5
259.20529	13.9
267.15564	1.7
269.17334	2.5
275.19995	21.1
284.69644	1.6
291.19476	2.2
293.20917	2.2
333.24298	10.1
340.45285	1.5
349.23663	16.2
349.84122	1.3
381.26361	1.6
435.32635	2.0
487.34009	3.3
505.35321	10.0
513.35559	2.2
527.37207	33.0
543.36780	2.7
607.43286	15.2
623.42993	2.9
625.43970	8.4
639.45856	5.3
641.43201	2.6
671.41101	6.3
689.42670	11.1
719.40729	1.5
746.03802	1.8
876.76361	1.5
909.24554	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02888	1.8
65.03944	2.5
67.05492	72.8
69.03432	7.8
69.07054	30.8
71.04975	8.0
77.38021	1.6
79.05136	1.9
79.05471	70.8
81.03378	14.4
81.07035	100.0
83.04959	27.2
83.08606	42.4
85.02889	7.1
85.06527	4.4
86.09738	1.7
87.95769	1.8
91.05458	82.0
93.07018	68.8
95.04945	76.5
95.08585	39.4
97.06523	12.0
97.10139	23.1
99.04429	4.1
99.08059	3.0
103.05403	2.7
105.04533	2.3
105.07011	65.0
107.04928	31.9
107.08581	53.4
109.06510	22.8
109.10136	22.8
111.04430	20.8
111.08054	10.0
117.06984	29.3
119.04936	2.2
119.08556	49.3
121.06509	13.1
121.10101	27.6
123.08025	31.1
123.11649	1.8
125.05973	1.9
125.09601	31.0
129.07019	12.7
130.07802	2.5
131.04893	1.9
131.08546	27.0
133.06468	4.3
133.10103	25.8
135.08012	18.9
135.11662	17.9
137.05991	2.6
137.09630	8.1
139.11183	2.0
141.07037	3.1
142.07744	4.0
143.08546	10.9
145.10104	39.4
147.08031	12.0
147.11664	18.7
149.09613	27.8
149.13252	3.0
153.09048	3.1
153.12715	8.9
155.08548	4.0
157.10130	12.4
159.08095	3.0
159.11644	16.7
161.09607	11.7
161.13258	2.1
163.11151	46.5
165.09157	2.1
165.12721	8.3
169.10146	7.4
171.10257	2.3
171.11699	8.6
173.09544	9.0
173.13234	6.7
175.11136	10.4
177.12730	7.3
181.12253	7.2
183.11659	3.3
184.07291	3.6
185.13182	4.0
187.11169	3.6
189.11209	14.2
191.10640	3.1
193.12202	2.5
197.13293	2.4
205.12238	2.2
223.13225	24.2
227.12698	14.3
239.17969	2.9
245.18886	2.1
255.17378	2.7
257.18961	8.2
273.18448	24.2
275.20032	38.4
283.15378	2.3
291.19464	41.3
293.20993	17.4
309.20734	3.5
347.22247	10.5
349.23743	19.3
365.23151	33.6
367.24698	42.2
383.24094	14.4
559.36438	2.2
621.41187	8.3
639.42517	35.9
657.43475	57.4
675.44574	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	872.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03923	1.8
67.05493	67.4
69.03400	8.2
69.06715	1.7
69.07057	33.7
79.05006	1.2
79.05472	60.6
81.03400	12.0
81.07037	100.0
83.04966	18.2
83.08609	43.6
85.02879	6.6
85.06532	2.5
91.05457	63.3
92.08649	4.7
93.07022	59.0
95.04942	37.0
95.08581	37.3
96.57128	1.4
97.02893	2.1
97.06518	11.7
97.10127	19.7
99.04410	1.6
105.07014	58.1
107.04942	28.8
107.08575	45.0
109.06499	15.6
109.10142	25.0
111.04440	14.6
111.08072	12.3
113.06026	1.9
115.05434	2.0
117.06986	23.9
119.07737	1.6
119.08565	44.4
121.06484	12.2
121.10117	26.8
123.08041	23.6
123.11696	2.9
125.09589	19.2
128.06209	1.4
129.07005	10.9
130.07771	1.5
130.57445	1.5
131.04890	5.9
131.08559	32.0
133.06435	3.0
133.10117	34.3
135.08009	9.9
135.11650	15.0
137.05966	2.1
137.09586	8.6
139.11153	2.1
141.06985	2.2
142.07742	2.4
143.08510	6.7
145.06490	5.4
145.10097	31.8
147.08029	12.1
147.11667	19.1
149.09593	25.2
149.13275	5.9
151.07533	2.2
151.11165	8.2
153.09071	2.0
153.12704	5.7
155.08527	5.8
157.10117	8.7
159.07957	1.9
159.11681	13.3
161.09564	8.0
161.13269	5.7
163.11143	30.1
165.09074	5.6
165.12756	5.1
169.10048	6.1
171.11649	6.2
173.09616	5.1
173.13271	5.9
175.11119	9.4
177.12753	6.8
181.09935	1.3
181.12201	5.8
183.11638	2.3
184.07329	2.2
185.13193	2.6
189.11180	8.3
191.10629	5.6
193.12184	4.9
195.11632	1.8
197.13225	3.2
201.12575	1.7
203.14258	1.3
205.12175	2.0
207.13828	1.5
223.13319	2.4
227.12711	9.5
227.17867	1.4
232.59581	1.5
239.17834	3.1
245.18961	5.0
249.14822	1.9
253.14261	6.8
255.17435	2.2
257.18976	6.0
272.23135	1.4
273.18393	26.1
275.20029	37.9
283.15482	2.3
291.19504	36.3
293.21103	5.2
309.20428	3.1
347.22177	9.4
349.23691	31.5
365.23178	35.2
367.24649	23.3
383.24207	18.1
511.33740	1.7
519.33240	1.7
545.34320	1.7
559.35876	9.0
599.16913	1.7
621.41388	13.1
639.42487	38.5
657.43567	35.1
675.35773	1.4
675.44708	21.3
730.91083	1.7
896.28613	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	872.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	0.8
62.05475	0.6
65.03929	1.4
67.05492	44.6
69.03426	1.6
69.07053	24.3
71.04970	3.2
79.04782	0.8
79.05473	48.7
81.03391	8.7
81.07037	100.0
82.07384	0.7
83.04965	11.8
83.08606	18.7
85.02892	4.3
85.06531	1.3
86.09648	1.1
87.90997	0.6
91.05460	41.0
93.07021	42.8
95.04949	22.9
95.08579	27.1
97.02822	0.8
97.06499	10.3
97.10145	14.5
99.08080	2.6
102.68700	0.8
103.05460	1.3
103.40322	0.7
105.04518	0.7
105.07010	36.4
107.04942	18.4
107.08578	26.0
109.06504	19.2
109.09463	1.0
109.10136	11.3
111.04427	8.5
111.08067	6.7
114.36716	0.7
114.47279	0.6
115.05461	2.7
116.06233	0.8
117.06985	12.5
119.04912	0.9
119.08566	29.4
121.06477	8.4
121.10108	16.5
123.08035	16.2
123.11687	4.2
125.05933	0.8
125.09605	10.8
127.07509	0.8
128.06139	1.0
129.06978	7.7
130.07755	0.7
131.04895	3.1
131.08548	16.4
133.06470	4.0
133.10110	17.6
135.08034	7.3
135.11679	12.5
137.05994	1.0
137.09598	6.1
141.07019	0.9
142.07747	1.3
143.08565	7.5
145.06467	3.4
145.10112	19.5
147.08008	7.5
147.11652	15.3
149.09596	14.3
149.13197	5.4
151.07515	1.1
151.11186	1.5
153.06979	0.6
153.09105	2.5
153.12752	3.8
155.08531	3.0
157.10075	6.6
157.14624	0.8
159.08037	2.6
159.11626	8.1
161.09607	6.3
161.13237	2.8
163.11156	15.4
165.09085	0.9
165.12706	5.0
169.10060	3.2
171.11687	4.1
173.09636	3.1
173.13242	2.8
175.11165	5.8
175.14709	0.8
177.12692	1.5
179.14316	0.9
181.10184	0.9
181.12231	2.8
183.11644	1.3
184.07274	3.6
185.13295	1.6
187.11162	1.0
189.11217	4.1
189.12718	0.9
191.10596	0.9
193.12236	3.3
197.13162	0.8
201.12695	1.1
223.13251	2.9
227.12631	4.6
245.18987	2.6
247.20383	1.0
255.17355	2.5
257.19016	1.1
267.15793	0.9
269.11591	1.2
273.18454	15.8
275.19995	22.0
283.15219	0.8
291.19513	20.4
293.21021	7.8
294.37726	0.8
309.20526	0.9
347.22098	8.4
349.23657	16.1
365.23187	21.1
365.78760	0.8
367.24722	25.8
383.24161	11.0
519.32092	1.3
547.36328	0.8
555.36688	0.8
559.36182	1.5
565.38062	0.8
577.36584	1.2
583.38690	0.9
621.41284	7.7
639.42548	23.4
657.43512	32.6
675.44507	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	872.4478
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	14.5
65.03899	2.6
67.05489	48.4
69.03404	12.4
69.07043	11.5
71.04971	8.3
73.02900	2.9
79.05472	63.5
81.03396	100.0
81.07034	70.1
83.04961	36.0
83.08608	29.4
85.02887	43.5
85.06528	6.3
91.03931	10.2
91.05455	89.5
92.08694	3.0
93.07021	47.6
95.04940	59.5
95.08577	27.6
97.02866	13.3
97.06508	12.9
97.10133	6.2
99.08050	2.3
103.05381	1.8
105.07007	65.5
107.04929	20.4
107.08579	21.3
109.06496	14.3
109.10127	6.8
111.04416	3.7
111.08056	15.8
113.05993	2.4
115.05399	2.9
117.06985	7.3
119.08559	41.2
121.06483	8.9
121.10129	19.2
123.08026	7.8
123.11659	5.5
125.09595	2.4
127.03896	2.0
127.07571	2.2
129.06956	26.6
131.08563	26.6
133.06500	7.9
133.09152	3.0
133.10088	38.2
133.11023	2.4
135.08000	7.0
135.11647	1.9
137.09668	2.0
139.03860	1.6
142.07741	8.6
145.10085	8.9
147.08018	9.0
147.11662	36.0
149.09583	16.9
151.11160	8.7
153.34186	2.2
157.10081	27.9
163.11096	1.8
165.12703	10.8
175.11134	32.8
177.05481	2.0
193.12195	61.8
211.13231	49.3
231.38931	1.6
249.14702	1.7
267.15851	88.8
285.16904	63.4
289.14880	1.9
339.23737	2.0
403.24619	1.7
459.21005	2.8
459.27252	54.6
477.28394	80.9
495.29385	70.9
496.29596	2.3
603.31158	3.4
621.32397	10.8
639.33350	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	872.4481
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.4
67.05495	20.5
69.03408	4.4
69.07056	6.6
71.04971	4.6
72.77319	0.5
73.02900	2.4
78.21648	0.4
79.05479	26.8
81.03400	100.0
81.07037	22.6
81.67868	0.6
82.03757	0.8
83.04969	13.0
83.08602	22.4
85.02415	0.9
85.02888	17.1
85.06516	2.6
87.58128	0.5
91.03938	3.0
91.05459	27.8
93.07024	17.5
95.04945	33.6
95.08579	9.6
97.02875	6.8
97.06507	3.3
97.10136	7.2
99.08067	1.2
105.07013	23.4
107.04940	11.9
107.08567	8.7
109.06493	6.8
109.10136	5.1
111.04417	2.5
111.08060	9.3
113.05976	1.1
114.07323	0.5
115.05431	2.8
117.07004	3.4
119.04881	0.8
119.08555	20.5
121.06495	6.2
121.10129	10.6
123.04393	2.3
123.08023	3.9
123.11685	0.9
125.09605	3.3
127.03847	1.2
128.06184	0.9
129.06972	13.8
131.04916	2.3
131.08543	15.8
133.06453	6.4
133.10101	10.6
135.08037	2.3
135.11639	1.0
137.05974	0.7
137.09593	1.2
141.06979	0.6
142.07759	4.1
143.08545	3.2
145.06459	7.4
145.10175	4.1
147.04408	0.7
147.08051	5.7
147.11662	15.5
149.09593	7.3
155.08525	0.8
157.06461	0.9
157.10107	14.5
159.08032	1.0
159.11700	0.6
161.05942	2.4
161.09631	0.7
163.11104	2.8
165.12715	3.5
167.08531	0.8
169.10080	0.7
171.08064	0.9
171.11613	1.3
173.09573	0.9
175.11134	17.7
177.12798	0.6
185.13208	0.6
187.14822	0.5
189.11075	0.7
189.12692	0.7
193.12213	38.3
195.07967	1.0
195.11688	2.4
197.09547	0.9
197.13330	0.7
206.67349	0.6
211.11266	0.9
211.13222	15.8
213.12729	0.7
215.14409	0.6
233.15416	1.0
233.95311	0.6
237.12595	0.7
239.14442	0.8
249.14784	2.3
255.13744	2.6
267.15854	89.8
268.16229	1.0
273.14807	4.8
285.16891	11.9
287.21591	0.6
339.23059	1.0
341.20886	0.8
349.21384	3.2
357.24191	0.6
367.22562	6.4
385.23700	6.6
403.24500	2.6
415.24670	0.8
425.26328	0.6
433.25760	14.1
441.26431	4.6
451.26477	0.9
459.27316	69.3
460.27597	2.3
477.28394	48.5
478.28586	1.0
495.29059	1.0
501.28207	0.9
519.29163	3.2
523.60840	0.6
585.30341	0.8
603.31860	0.7
621.32434	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5212
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03935	1.6
66.33078	1.0
67.05490	22.2
68.04777	1.2
69.03403	2.7
69.07048	7.0
71.04933	1.7
79.05476	45.2
81.03388	7.5
81.07039	100.0
81.16829	1.2
83.04960	15.3
83.08599	10.2
85.02884	6.2
85.06530	2.1
91.05458	20.8
93.07027	19.6
95.04952	15.5
95.08588	13.5
97.06516	6.2
97.10149	8.9
99.04424	1.8
105.07005	18.7
107.04939	28.1
107.08590	16.9
109.05816	1.9
109.06507	37.1
109.10131	8.0
111.04384	8.5
111.08071	5.1
115.05443	1.7
117.07024	13.1
119.08552	23.1
121.06494	7.9
121.10131	10.5
123.08051	10.3
125.09605	6.8
129.06978	5.3
131.04849	1.6
131.08562	12.9
133.06444	2.9
133.10124	7.9
135.04410	1.8
135.08002	6.4
135.11650	7.2
137.09587	4.6
142.45874	1.0
143.08536	7.6
145.06427	1.4
145.10110	14.2
147.08057	9.2
147.11690	2.0
149.09576	7.7
151.07544	2.1
153.12714	2.3
157.10104	5.4
159.08018	1.8
159.11601	4.4
161.09517	9.9
163.11159	7.9
165.09090	1.2
169.10112	1.5
171.11681	1.9
173.09525	2.2
175.11168	2.0
181.12201	2.0
189.11200	1.7
191.06923	1.2
199.11046	1.4
208.59909	1.1
211.13260	1.4
223.13312	1.5
227.12749	4.9
227.17879	1.4
249.14845	4.6
255.17426	1.6
257.08167	2.4
273.18417	17.4
291.16403	2.4
291.19495	51.4
347.22089	10.3
365.23108	26.1
383.24283	2.6
391.81509	1.3
407.14487	1.3
619.38965	1.9
624.52081	1.4
637.40875	15.4
654.31689	1.6
655.41937	24.1
673.43707	8.4
702.79559	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5556
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05489	84.1
69.07054	39.0
71.04974	13.7
77.57180	3.5
79.05468	64.7
81.03412	26.3
81.07034	100.0
83.04969	14.2
83.08606	19.9
85.02911	7.0
85.06550	4.6
91.05452	85.3
93.07014	70.7
95.01308	14.2
95.04916	28.6
95.08593	46.8
97.06487	31.2
97.10178	4.1
105.07011	93.3
107.04939	23.4
107.08562	38.2
107.51808	3.5
109.06490	16.5
109.10155	27.2
111.08098	4.4
114.69519	3.4
117.07015	24.6
119.08559	58.3
121.06438	5.8
121.10110	22.0
125.09606	4.8
129.06985	8.4
131.08546	33.6
133.10101	58.0
135.08052	7.7
135.11684	19.8
140.80872	3.6
145.10085	27.9
147.11697	19.9
149.09592	13.4
149.13219	8.1
157.10158	5.8
159.11726	7.0
160.12268	3.4
161.13277	5.6
163.11139	7.2
169.10100	5.8
173.11736	3.6
179.14253	6.7
189.05411	4.1
195.98592	3.5
203.14243	3.2
229.14238	3.6
257.19016	5.7
275.19998	58.6
335.25729	4.1
349.23657	24.4
503.33539	27.1
543.36707	92.2
546.38104	6.9
623.43121	40.1
655.45081	6.6
687.40472	22.2
770.08777	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	870.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	2.3
62.93644	0.9
65.03921	5.4
67.05489	67.8
67.54977	0.8
69.03408	8.3
69.07049	46.2
71.04978	7.9
76.55887	1.0
79.05470	78.0
81.03395	18.8
81.07036	84.6
83.04962	24.1
83.08598	49.2
85.02878	9.0
85.06541	2.0
91.05458	75.4
93.03357	1.4
93.07020	74.2
95.01297	1.0
95.04945	100.0
95.08002	1.7
95.08578	36.5
97.02859	5.9
97.06496	15.0
97.10146	27.3
99.00764	4.6
99.04434	9.5
99.08058	1.4
103.05451	2.0
105.07011	53.9
107.04936	37.8
107.08571	58.0
109.02868	10.1
109.06492	21.6
109.10135	24.3
111.04433	19.6
111.08046	13.1
115.05425	4.0
117.07004	31.3
119.04919	2.0
119.08556	48.5
121.06477	21.5
121.10123	31.1
123.04421	4.6
123.08039	13.7
123.11675	5.6
125.09609	22.5
125.10438	1.8
128.06180	3.9
129.06964	10.4
130.07773	1.4
131.04944	1.7
131.08539	27.7
133.06445	5.4
133.10100	37.8
135.08017	21.9
135.11653	16.7
137.05943	1.8
137.09578	11.3
139.07468	1.6
139.11157	3.6
141.06952	2.3
143.08557	9.8
145.06471	8.1
145.10100	36.9
147.08040	13.7
147.11674	15.3
149.09584	39.2
149.13234	1.5
151.07513	6.6
151.11130	7.2
153.09085	5.6
153.12698	4.9
154.07739	1.4
155.08527	4.8
157.10083	8.6
159.07976	6.8
159.11653	15.0
161.09598	13.5
161.13232	5.5
163.07523	7.8
163.11147	45.4
165.12679	4.7
169.10144	4.2
171.07933	1.3
171.11659	5.3
173.09583	5.7
173.13214	5.0
175.07518	1.1
175.11163	4.9
177.12695	5.0
179.10667	2.4
181.12148	2.0
183.11632	2.1
184.07349	0.9
185.13138	1.5
187.11168	5.7
187.14838	1.7
189.09160	1.6
189.11142	9.2
189.12672	2.0
191.10626	5.4
191.14317	1.3
193.12210	16.0
197.13225	1.3
201.12660	2.4
205.12173	7.2
211.13150	1.7
221.11668	1.1
223.13242	29.8
227.12758	7.1
229.19475	3.9
239.17882	6.3
243.17532	1.4
247.20573	2.2
257.19009	7.2
261.18613	2.2
263.16425	1.2
271.16849	5.6
273.18454	1.1
275.20004	50.6
275.22910	2.2
283.15210	4.4
289.17862	17.5
291.19516	1.9
293.21017	29.6
307.18948	4.0
349.23633	21.8
363.21533	6.0
367.24673	48.9
381.22638	84.1
532.67621	1.1
557.34509	2.4
575.35797	1.5
612.44214	1.3
637.40784	10.3
654.30536	1.1
655.42041	35.5
673.42950	93.0
674.42914	2.2
691.43530	1.8
851.91833	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.4685
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	2.2
64.12136	1.0
67.05490	31.7
69.03418	2.4
69.07049	9.3
71.04961	2.3
73.02881	1.1
79.05056	1.4
79.05482	24.8
81.03397	49.1
81.07038	40.7
83.04958	8.3
83.08599	17.4
85.02878	4.7
85.06515	1.0
85.57700	1.0
91.03920	2.2
91.05454	21.2
93.07021	30.6
95.04943	18.5
95.08592	14.9
97.02860	4.3
97.06517	6.0
97.10160	2.2
99.08084	1.5
105.07007	16.0
107.04931	4.8
107.08578	18.1
109.06518	4.2
109.10143	6.0
111.04389	1.5
111.08067	5.9
117.07001	5.0
119.08570	14.1
121.06499	5.0
121.10107	10.2
123.07999	1.4
123.11673	1.4
129.04652	1.2
129.06973	7.3
131.04909	1.3
131.08528	10.3
132.93762	1.0
133.06496	1.5
133.10120	12.7
135.08002	1.6
135.11681	2.5
137.05978	1.5
141.83012	1.1
142.07768	2.0
145.10117	1.9
147.08014	1.1
147.11656	6.8
149.09599	2.4
149.13206	12.5
157.10121	9.5
159.11647	6.0
161.09572	1.5
163.11159	1.8
171.07965	1.1
175.11163	6.1
177.12782	1.5
178.66826	1.1
193.12195	11.3
195.13785	2.0
211.13249	1.3
226.79581	1.0
267.15842	41.1
269.17380	26.3
284.10590	1.2
328.42484	1.2
435.27060	1.7
443.27805	1.9
461.28882	100.0
557.30328	1.7
587.32025	1.8
857.93512	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	870.5204
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	2.8
67.05141	2.6
67.05492	54.6
69.03424	6.5
69.07061	30.4
69.83217	1.4
70.47979	1.3
71.04980	6.7
73.22341	1.5
76.56203	1.7
79.05474	60.2
81.03400	8.0
81.07037	100.0
83.04968	10.3
83.08586	14.1
85.02904	2.4
85.06545	2.9
86.23997	1.5
91.05463	48.5
93.07026	43.7
95.04957	23.6
95.08575	30.2
97.06523	15.9
97.10152	7.9
99.04409	1.9
99.08035	1.5
103.05428	2.1
105.07009	42.1
107.04928	19.2
107.08577	32.2
109.02882	3.0
109.06501	25.8
109.10157	13.6
111.04467	2.7
111.07987	4.6
117.07000	15.7
119.08568	34.3
121.06474	12.4
121.10098	15.5
123.04388	1.6
123.08051	7.4
123.11682	3.1
125.09631	5.6
129.07008	7.7
130.07747	1.7
131.08554	21.1
133.06500	6.6
133.10109	26.7
134.68953	1.9
135.08031	14.7
135.11676	8.9
137.09619	6.5
143.08530	3.4
145.06450	3.1
145.10120	17.7
147.08040	3.6
147.11671	15.1
149.09612	7.0
149.13223	6.2
151.11290	1.7
153.09196	2.4
155.08626	2.2
157.10123	7.9
159.08052	3.2
159.11696	7.8
161.09581	3.6
161.13295	2.1
163.07486	3.0
163.11208	9.5
165.12717	2.3
169.10100	2.8
171.11638	2.1
173.09662	2.2
173.13255	3.1
175.11176	2.7
183.11716	2.5
187.14865	1.6
193.12213	13.8
206.12447	1.9
227.12758	2.3
257.19092	2.6
271.16922	2.8
275.19983	34.9
283.15289	2.0
289.17871	12.4
291.19345	2.5
292.83762	1.7
293.21051	7.4
307.18851	2.2
333.24094	1.7
349.23843	15.8
363.21667	3.0
367.24765	19.0
381.22675	32.3
386.93304	1.7
442.30389	1.5
533.35046	1.9
546.68726	2.0
609.44873	1.8
637.40527	7.5
655.31055	2.1
655.41925	49.6
673.42957	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	869.4875
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05486	75.6
69.03416	19.4
69.07043	18.9
71.04977	5.7
71.08624	3.7
76.14335	4.0
78.59109	3.2
79.05466	80.3
81.03395	100.0
81.07030	74.7
83.04964	26.0
83.05385	3.4
83.08604	22.5
85.02872	20.6
85.06499	3.5
91.05457	59.9
92.09347	8.0
93.07026	56.5
95.04934	37.3
95.08579	44.6
97.02847	14.7
97.06515	7.1
97.10130	7.4
105.07008	41.9
107.04948	7.8
107.08577	30.6
108.71316	3.3
109.02861	8.8
109.06503	6.9
109.10120	25.1
111.08088	14.4
115.39702	3.4
117.06987	8.5
119.08564	33.7
121.06433	4.1
121.10130	20.7
123.04375	6.0
123.11721	4.5
125.09614	4.3
127.03871	4.7
129.06941	18.7
131.08511	25.5
133.06444	4.2
133.10103	21.4
135.11665	8.1
141.07054	4.6
145.10034	8.2
147.08054	4.0
147.11681	20.4
149.09697	3.7
149.13168	5.0
157.10080	14.2
159.11620	7.5
163.11104	5.6
173.13248	4.6
175.11246	15.8
193.12213	34.6
211.13211	30.8
226.05867	3.6
267.16028	5.6
335.25653	38.2
354.56305	4.2
386.14056	4.0
429.21112	15.2
457.51410	3.7
527.37451	6.9
543.36517	4.8
545.38318	87.4
594.13885	5.1
689.41949	22.0
835.74219	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	870.4317
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	22.2
63.30497	1.3
65.03910	2.1
67.05139	2.5
67.05490	51.4
69.03407	11.7
69.07049	13.0
71.04961	6.4
73.02901	13.3
79.05467	50.6
80.06268	1.5
81.03394	100.0
81.07037	47.8
82.04185	3.3
83.04960	33.0
83.08598	33.1
85.02885	51.8
91.03946	9.4
91.05456	55.6
93.07019	37.0
95.04941	47.1
95.08574	16.0
96.04502	1.5
97.02869	20.0
97.06492	10.0
97.10141	19.6
98.07285	6.3
99.04411	2.3
99.08098	2.1
103.05389	1.4
105.07012	33.4
107.04934	11.6
107.08560	24.3
109.02869	1.8
109.06494	8.1
109.10141	14.6
111.04424	3.3
111.08035	16.6
113.05984	2.6
115.05468	1.8
116.04674	15.6
117.06972	7.8
119.08553	34.4
121.06475	2.5
121.10128	15.9
122.42863	1.3
123.08051	9.4
123.11676	1.4
125.09589	20.5
127.03899	1.8
127.11146	1.6
129.05455	31.9
129.06952	18.3
131.08563	17.9
133.06456	5.5
133.10124	23.6
135.08040	5.3
135.11635	2.9
137.09586	5.6
142.07765	2.9
143.07007	5.7
145.04990	1.6
145.10077	6.8
147.08034	8.4
147.11656	23.0
149.09569	10.5
153.09045	1.9
153.12721	1.6
157.08580	12.6
157.10095	22.8
158.05783	2.0
163.11151	6.7
165.12706	7.4
171.10121	3.2
173.11722	2.7
175.11136	21.0
181.12196	2.1
189.11174	7.2
191.08565	1.5
193.12195	79.8
199.13257	15.8
199.33327	1.3
209.11700	9.1
211.13252	81.4
227.12668	13.0
229.14383	2.3
247.13219	2.5
255.15797	6.0
258.38885	1.4
267.15854	29.5
283.15295	13.1
285.16901	58.4
301.16425	32.7
311.22180	1.5
321.17105	1.7
339.17883	3.1
363.21530	1.5
398.45099	1.4
409.25726	6.5
421.25473	2.0
427.27002	9.5
439.26837	28.7
459.27191	6.4
475.26563	2.4
477.28186	2.8
493.27847	19.1
494.28873	3.2
511.21887	2.4
511.28931	62.4
655.33472	1.6
768.27222	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.5258
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	6.3
67.05138	0.9
67.05492	20.3
69.03407	2.7
69.07057	8.0
71.04975	3.7
71.08616	7.4
73.02906	3.3
79.05472	7.0
81.03397	2.1
81.07040	22.9
83.04961	3.5
83.08604	3.1
83.84751	0.5
85.02890	7.3
85.06528	3.3
85.10163	4.0
89.06014	0.6
91.03938	3.2
91.05460	17.9
91.06001	1.0
93.07010	8.9
93.07478	0.6
95.04955	2.6
95.08585	9.7
97.02864	3.3
97.06529	1.0
97.10149	1.3
99.04420	0.9
99.08060	0.6
105.07016	19.3
105.07734	0.7
105.47579	0.6
107.04917	0.5
107.08574	18.6
109.06517	3.5
109.10139	35.2
113.05991	1.0
119.08581	2.2
123.11689	5.8
125.09604	0.7
127.03850	1.0
127.07543	2.4
131.08542	1.2
133.10106	43.0
135.08092	0.6
143.08557	0.8
151.11157	21.2
161.09599	1.1
163.05956	0.7
169.12242	3.4
253.14290	100.0
254.14651	0.7
271.15332	19.2
313.27301	19.8
509.38293	30.4
782.31470	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	868.4162
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	21.0
65.72874	2.0
67.05495	54.6
69.03407	10.8
69.07057	14.4
71.01340	3.3
71.04982	12.8
73.02910	12.3
74.07931	2.0
79.05482	55.8
81.03400	44.5
81.07042	44.6
82.04189	4.5
83.01339	12.0
83.04971	34.1
83.08607	28.0
85.02895	39.1
91.03951	19.2
91.05468	43.4
92.09218	3.2
93.07021	51.6
95.04945	30.6
95.08573	22.3
97.02879	16.5
97.06499	12.4
97.10149	16.7
98.07310	9.0
99.04449	5.8
105.07019	24.9
107.04929	18.1
107.08585	30.8
109.02982	2.2
109.06516	12.0
109.10147	15.7
111.08088	5.3
113.05981	2.3
116.04705	22.2
117.07026	17.4
119.08577	28.5
121.06463	5.1
121.10145	22.8
123.08047	21.0
125.09628	22.8
129.05469	43.3
129.06987	10.0
130.07764	4.3
131.08563	11.8
133.10149	17.1
135.07997	10.2
135.11647	23.5
137.09642	2.9
143.07013	10.3
145.10098	28.2
147.08006	10.9
147.11693	9.9
149.09608	3.4
157.08594	21.9
157.09982	4.5
163.11134	39.1
171.10147	3.5
173.09602	3.5
175.11205	8.9
181.12257	3.5
185.11736	2.8
189.11176	17.2
191.10631	4.8
193.12247	10.9
199.13306	11.2
209.11705	5.9
210.31317	2.6
211.13287	3.4
227.12746	26.1
229.14630	2.2
234.64844	2.4
265.14230	3.3
267.15833	14.4
283.15405	75.7
301.16434	74.6
337.16357	4.3
425.25089	3.8
437.25034	13.3
459.27237	3.5
473.28479	4.8
475.26770	14.6
477.28308	10.4
491.26282	11.9
492.27045	9.5
509.27386	100.0
595.61865	2.7
653.32306	3.9
751.12561	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	868.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05146	3.9
67.05492	100.0
69.03405	20.6
69.07046	28.3
70.97414	2.8
71.01328	4.0
71.04955	18.9
71.38053	2.7
79.05471	61.2
79.06186	3.1
81.03394	68.0
81.07040	79.0
81.07486	6.4
83.04961	26.9
83.08607	25.1
85.02891	12.4
85.90363	2.6
91.05457	54.0
93.07011	40.8
95.04937	34.7
95.08582	30.8
97.02853	31.2
97.06509	14.9
97.10143	31.4
98.03646	5.8
98.07267	4.1
99.04429	5.4
105.07017	27.9
107.04930	35.4
107.08577	38.4
109.02840	12.5
109.06503	22.4
109.10151	51.4
111.04408	13.1
111.08002	4.5
116.04687	7.2
117.06974	18.7
119.08566	32.2
121.06467	11.2
121.10104	14.5
123.04349	3.7
123.08038	11.7
125.09583	18.3
127.03886	6.7
129.05428	17.7
129.06950	7.1
130.07788	3.3
131.08495	21.0
133.06488	5.8
133.10097	12.8
135.08011	6.2
135.11635	6.5
137.09584	17.9
143.08546	5.7
145.06509	5.9
145.10100	13.9
147.08076	5.8
147.11627	6.9
149.09528	6.3
151.07574	3.7
153.09073	4.6
157.08623	7.0
157.10046	5.4
161.09612	6.2
163.11108	6.0
173.04514	3.9
173.11703	7.0
189.11185	7.3
193.12233	7.1
212.91666	3.2
227.12668	7.2
229.14262	20.2
283.15430	3.7
291.19470	3.8
301.16437	16.4
455.26123	6.8
570.96906	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	868.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
60.73296	1.2
60.97656	0.9
61.02908	11.4
64.45102	0.9
67.05496	23.2
69.03410	5.8
69.07043	6.2
71.04964	2.2
73.02888	5.3
79.05471	23.7
81.02934	2.1
81.03397	53.0
81.07038	34.3
83.04958	11.8
83.08597	23.6
83.36456	1.1
85.02887	32.3
85.06539	1.5
86.90394	1.1
91.03928	5.2
91.05459	40.5
92.05782	1.5
93.07025	26.5
95.04941	24.4
95.08584	8.2
97.02887	11.8
97.06510	5.8
97.10161	4.5
99.00798	18.9
99.04407	1.7
103.35539	1.2
105.07020	25.6
107.04926	11.4
107.08583	12.1
109.02850	10.7
109.06487	5.8
109.10117	6.3
111.04438	2.3
111.08066	11.0
113.05988	1.5
115.03905	2.4
117.06994	4.0
119.04911	1.8
119.08562	23.7
121.06472	7.4
121.10133	8.5
123.04432	1.7
123.08020	4.3
123.11681	2.4
125.09628	1.5
126.47569	1.1
127.03877	6.0
129.06970	9.4
131.08546	11.1
133.06473	2.6
133.10109	39.2
135.08043	1.3
135.11693	1.3
137.05945	2.0
137.09601	2.1
139.07535	1.6
142.07797	1.9
143.08546	5.5
145.06467	1.5
145.10146	1.6
147.04346	1.4
147.07993	4.2
147.11653	10.1
149.09557	5.2
151.11154	12.5
152.04185	1.5
157.10072	9.5
161.09573	14.9
163.11108	1.7
165.12755	1.3
167.07014	2.5
169.10130	1.4
171.07933	2.0
175.03883	1.3
175.11182	8.4
179.10603	10.7
189.09084	8.6
193.12193	30.0
197.11705	2.0
207.06454	1.2
207.10130	2.0
211.13254	28.9
225.11163	6.3
236.31602	0.9
242.22885	1.1
243.12267	1.2
267.15894	11.5
281.13675	4.1
283.15295	1.3
285.16891	26.2
299.14804	37.9
385.89249	1.1
399.09903	1.1
473.25085	2.1
491.26334	20.4
509.27411	100.0
617.28796	1.6
635.29755	2.2
744.32599	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	867.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
63.52579	0.5
65.03939	1.1
67.05481	0.9
68.99773	10.7
79.05471	0.9
81.03400	3.3
83.04983	1.1
85.02879	2.9
88.84905	0.6
89.03895	1.6
91.05424	0.8
92.08728	1.0
93.03353	1.5
95.04971	2.9
99.04442	1.3
99.19067	0.6
103.05463	1.5
105.03379	0.7
107.04948	9.3
109.02868	3.9
111.00776	12.7
111.04409	9.9
114.42292	0.7
115.05486	0.9
117.03365	1.2
119.04945	2.7
121.02825	2.6
121.34910	0.6
123.03683	0.9
123.04403	76.5
127.03892	100.0
128.04216	1.2
131.04927	4.1
135.04391	80.2
137.02315	5.1
139.03873	48.2
141.07036	1.0
145.02785	0.8
145.06480	1.0
147.04382	10.1
149.02327	10.2
149.05945	3.3
150.02998	0.8
151.03888	16.0
153.06949	0.7
155.04897	1.4
157.06459	1.1
159.04367	6.3
161.02324	0.9
161.05927	8.4
161.68481	0.7
163.03868	68.5
165.05434	6.7
167.03380	6.3
169.04933	3.0
169.06487	3.7
173.02315	0.7
173.05931	8.9
175.03894	5.3
177.05421	10.6
179.03371	10.5
181.04921	2.4
181.06444	1.0
183.04437	1.3
185.05928	3.2
187.03825	11.1
189.05440	5.2
191.03360	15.0
193.04987	2.8
197.05949	5.5
199.03873	1.2
201.05441	12.9
203.03375	17.7
203.07027	4.3
205.04939	5.2
207.02896	1.0
213.05418	5.5
215.03352	5.4
215.07062	4.3
217.04941	2.9
223.02365	3.2
225.05469	2.9
228.04092	0.7
229.04912	15.2
231.06534	2.9
233.04312	5.1
235.02463	0.8
237.05449	1.5
241.04900	4.1
243.02829	1.4
243.06461	6.4
245.04388	94.7
246.04794	1.3
247.05960	48.6
253.04924	3.6
255.06512	3.9
257.04416	16.0
258.05005	1.4
259.05978	8.7
261.07510	0.9
265.04865	2.7
269.04468	6.2
271.05923	24.6
273.03885	0.7
274.04630	6.3
275.02585	0.7
275.05417	21.7
275.08133	1.0
279.06412	0.8
281.04449	1.0
282.04794	0.7
283.05960	10.6
285.04001	4.5
285.07053	1.0
286.04642	1.5
287.05371	18.8
289.07001	20.5
291.08661	8.3
295.05914	2.5
297.03909	1.1
299.05435	6.1
301.06924	8.1
309.03952	3.0
311.05438	2.5
313.06906	1.5
317.08200	1.0
323.05524	3.7
330.33197	0.8
337.07141	0.8
349.06836	0.8
351.04974	1.6
361.07022	2.5
365.06409	1.0
367.07791	0.7
373.06934	0.9
377.06378	0.8
379.08142	4.8
383.07681	0.9
389.06662	2.7
391.07928	3.1
393.05945	4.0
397.09222	6.3
405.05872	3.2
407.07480	21.4
407.12668	1.1
409.09113	18.4
411.10593	2.7
419.07568	4.1
421.09155	1.4
425.08557	8.8
427.10120	9.2
433.08957	1.2
437.08585	10.9
449.08368	2.5
451.10291	5.0
517.11389	2.4
535.12048	1.1
545.10541	3.1
559.11945	2.5
571.12244	0.9
577.13446	1.5
579.14856	4.9
697.15063	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	866.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02901	8.8
67.05491	43.2
69.07056	22.3
69.35162	2.1
71.08619	23.5
79.05481	24.0
81.03382	2.0
81.06541	2.3
81.07030	60.0
83.04971	3.0
83.08619	14.6
85.02885	8.8
85.06533	3.8
85.10161	12.5
86.75665	1.6
91.03925	3.4
91.05453	11.2
92.08858	15.0
93.07024	36.3
95.04936	2.1
95.08576	26.4
97.02818	2.2
97.06490	4.4
97.10159	6.8
105.06989	3.0
107.08577	27.6
109.10132	11.4
111.08049	3.0
117.06989	4.3
119.08546	2.6
121.10101	10.4
123.11669	3.6
131.08504	3.2
133.10117	4.6
135.03050	1.8
135.11693	3.2
149.13261	18.0
159.11650	9.8
195.13750	3.4
226.06610	2.0
232.28365	1.9
269.14557	2.8
269.17404	77.7
301.80139	1.9
313.27332	49.5
377.72552	2.4
507.40366	100.0
508.40396	3.1
511.44485	2.1
550.49066	2.1
606.47394	3.3
866.54102	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	867.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
63.27882	0.5
65.03923	2.2
67.01842	0.6
67.05488	1.2
68.99778	9.0
69.03411	0.7
77.47012	0.6
79.05497	0.5
80.28642	0.5
81.03391	4.4
82.68335	0.6
83.04980	0.7
85.02893	2.5
89.03902	1.0
89.67030	0.5
90.81444	0.5
91.05457	0.8
93.03394	0.9
95.04932	2.6
99.04430	1.1
103.05431	0.6
105.03391	0.8
107.04949	6.2
109.02856	3.5
110.72935	0.5
111.00786	8.1
111.04420	8.4
111.49718	0.7
115.05470	0.7
117.03345	0.7
119.04933	2.5
121.02840	0.9
123.04395	72.6
124.04680	0.5
127.03882	100.0
128.04239	0.7
131.04854	4.0
133.06430	0.6
135.04384	65.2
137.02309	5.3
137.05934	1.1
139.03874	52.4
140.04143	0.7
143.04927	2.4
145.02866	0.6
145.06429	1.1
147.04378	10.6
149.02333	8.2
149.05975	2.9
151.03894	14.1
153.01848	0.8
155.04889	2.6
157.06476	0.7
159.04376	6.9
161.05896	5.6
163.03862	55.3
165.01872	0.6
165.05441	7.9
167.03381	7.6
169.04912	2.1
169.06430	2.6
171.87398	0.5
173.05939	5.4
175.03876	4.1
175.07605	0.9
177.05396	8.2
179.03365	7.4
179.06984	0.7
181.04997	0.7
181.06479	1.0
183.04433	2.1
185.05939	1.3
187.03801	9.7
187.07607	0.8
189.05350	4.2
191.03345	12.5
193.04918	2.8
197.05957	5.9
201.05382	12.3
203.01520	0.6
203.03345	15.4
203.06981	3.2
205.04965	3.0
207.06544	2.2
209.05861	0.8
211.03801	0.6
213.05463	3.8
215.03450	4.0
215.06963	6.4
217.04936	4.1
219.06500	0.9
223.02252	1.0
225.05495	3.9
227.03273	0.7
227.07062	0.7
229.04883	14.2
231.06483	3.0
233.04352	5.7
237.05438	0.9
241.05002	3.3
243.06448	7.3
245.04376	53.4
246.04671	0.6
247.05931	39.8
251.05348	0.7
253.04901	3.2
255.06500	2.5
257.04379	13.7
258.05215	2.2
259.05914	8.9
261.07489	2.2
265.04950	0.9
267.06689	0.6
269.04404	4.9
271.05923	22.3
274.04736	0.8
275.05429	13.4
281.04294	2.3
283.05954	11.1
285.03983	1.3
285.07306	0.7
287.05414	17.6
288.05917	0.7
289.06982	20.5
289.10004	0.9
291.08594	14.3
295.05783	0.9
297.04080	1.9
297.07300	0.7
299.05435	4.2
301.07013	8.4
303.08612	2.3
309.03885	1.2
311.05322	1.2
313.07019	0.8
323.05557	1.9
327.05338	0.8
335.05096	0.7
349.06906	0.7
351.04742	2.6
361.06802	1.2
379.08032	2.9
381.09714	0.7
383.07489	2.1
389.06299	0.7
391.08029	1.2
393.05933	3.7
397.09143	3.1
398.55606	0.6
405.05737	2.7
407.07504	10.8
409.09030	18.5
411.10565	2.7
419.07355	2.4
421.09280	1.0
425.08624	5.1
427.10059	13.4
433.09042	0.6
437.08426	3.2
439.10068	0.7
442.18793	0.8
449.08478	0.8
451.10110	2.5
453.11929	2.1
527.09589	2.3
545.10596	2.8
577.13129	0.9
579.14447	6.5
679.13550	0.9
697.15094	1.3
699.17261	0.9
793.31683	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	861.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	2.0
67.05492	8.1
69.03424	2.4
69.07063	2.8
71.58734	1.1
73.02893	2.3
79.05482	8.1
80.70941	1.2
81.07028	10.1
83.04958	1.2
85.02880	6.6
91.03915	1.9
91.05476	6.8
93.07012	11.8
95.04961	3.1
95.08598	5.8
97.02866	3.2
97.10150	2.0
105.07020	10.7
107.08595	7.2
109.10165	1.8
119.08568	5.9
119.48560	1.4
121.10146	6.1
131.08559	2.5
132.35190	1.4
133.10130	1.6
145.10146	1.4
147.11665	1.6
157.10107	1.7
159.11655	2.4
183.11720	1.7
243.08417	2.2
294.07797	1.4
301.09003	1.5
519.29401	8.6
681.45764	1.5
776.49152	1.5
861.49445	100.0
862.49908	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	861.5325
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.5
65.03922	0.6
67.05499	6.3
69.03432	3.7
69.07067	2.4
71.05000	1.9
73.02912	3.8
79.05470	4.1
81.03391	1.1
81.07032	5.0
82.31007	0.4
83.08604	0.4
85.02885	5.4
91.03969	2.3
91.05441	3.1
92.08696	0.7
93.07029	5.3
95.08575	4.1
97.02878	3.5
97.06561	0.5
97.10169	0.7
99.04440	1.0
101.02369	1.9
105.07058	2.5
106.96525	0.4
107.08607	3.0
109.06516	0.5
109.10168	2.4
117.07011	0.8
119.08573	2.0
121.10134	1.9
125.09679	0.6
125.43812	0.5
127.03903	1.5
131.08583	0.8
133.10097	0.7
134.28381	0.4
135.11681	0.8
135.37659	0.4
145.10162	0.6
147.11740	0.5
149.13353	0.4
159.11742	0.6
200.23982	0.5
243.08481	2.4
259.07974	0.5
365.23068	4.6
413.18332	0.5
519.29364	7.5
583.30737	3.6
861.53088	100.0
862.53510	8.5
872.37616	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	866.4376
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.5
67.05493	58.1
69.03425	4.2
69.07079	11.1
71.04998	2.7
73.02912	3.1
79.05479	66.3
79.05900	3.7
81.03407	23.9
81.07042	45.0
82.04191	3.7
83.04961	20.5
83.08635	10.1
85.02933	11.8
85.06512	3.5
86.09679	2.0
91.03965	4.5
91.05469	60.2
93.07031	58.7
93.07572	3.6
95.04963	29.5
95.08578	22.4
97.02884	11.6
97.06518	4.3
97.10196	5.1
98.07298	4.5
105.04511	3.6
105.07009	38.4
105.07653	2.6
107.04984	13.8
107.08593	24.9
109.06544	9.9
109.10165	8.6
111.08102	3.4
113.02802	2.1
116.04733	9.9
117.07039	12.0
119.08559	27.8
121.10175	4.5
123.08095	4.0
125.09671	10.3
129.05466	29.7
129.06947	15.8
131.08635	4.0
133.10149	15.0
135.08096	3.4
137.09749	2.7
143.07103	4.3
143.08578	8.9
145.10205	9.6
147.11676	31.3
153.39915	2.3
157.08636	11.2
157.10008	2.4
161.13315	9.7
163.11209	11.2
171.10370	3.2
171.11623	19.2
180.57472	2.7
189.11256	4.9
189.12805	3.6
191.10651	2.8
207.13898	13.6
212.20560	2.5
227.12749	5.2
281.17407	33.9
283.15549	9.1
301.16412	34.3
435.27325	12.8
471.27606	3.1
473.28937	5.0
489.28455	13.3
490.29126	3.8
507.29474	100.0
625.92804	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	861.4967
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	2.6
67.05495	6.3
69.03417	1.1
69.07069	4.1
73.02921	2.4
73.95742	0.9
79.05489	5.0
81.03422	1.4
81.07057	9.7
83.04982	1.2
83.08618	1.0
85.02923	4.5
86.09718	1.2
91.03903	1.6
91.05476	5.5
93.07040	7.3
95.04945	1.9
95.08588	6.0
97.02880	6.5
97.06502	1.3
105.07023	7.8
107.08578	4.8
109.06502	1.3
109.10153	1.3
111.08041	1.3
111.84814	1.4
119.08582	4.4
121.10109	1.0
128.28030	1.3
131.08586	2.4
133.10164	2.2
145.10199	1.3
147.11696	1.8
151.07600	1.1
184.07298	4.5
243.08527	5.0
243.84349	1.1
333.20477	5.1
389.23102	1.5
551.27869	15.1
699.45313	1.3
775.42169	1.5
860.48865	4.3
861.49316	100.0
862.49316	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	861.4968
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	6.9
62.15903	1.0
67.05173	0.8
67.05495	8.5
69.03417	5.0
69.07063	1.7
71.01337	1.0
71.04967	1.3
73.02909	5.8
79.04189	0.9
79.05479	9.0
81.03410	0.9
81.07036	9.2
83.04981	1.2
83.08633	1.7
85.02887	9.7
86.29079	1.1
87.82023	1.1
91.03966	2.3
91.05448	7.4
93.07033	9.4
95.04967	2.0
95.08617	5.8
97.02844	7.9
97.06498	1.0
99.04403	1.2
101.02361	1.9
105.07039	6.7
107.08608	2.5
109.10141	2.2
110.86839	1.3
119.08566	7.4
121.10155	1.3
123.08045	1.0
127.03933	1.6
129.05481	1.5
131.08614	1.0
133.10107	1.1
135.11717	1.4
147.11772	1.0
178.36996	1.1
184.07506	1.2
185.04292	4.2
243.08470	4.2
251.64319	1.0
266.99030	1.1
301.08752	7.6
315.10605	4.6
343.14111	1.0
365.19449	2.3
373.10986	2.5
385.18500	4.5
436.24554	1.3
492.89011	1.0
519.29138	9.5
577.30847	1.3
591.31897	3.7
620.41479	1.2
861.49591	100.0
862.49994	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	861.496
Annotation	Unknow
Peak:m/z	Relative Intensity
59.81175	1.1
61.02922	6.5
67.05488	13.0
68.07628	1.1
69.03431	6.4
69.07053	6.8
71.83727	1.2
73.02903	5.8
79.05478	10.0
81.03394	1.5
81.07039	17.9
83.04979	2.1
83.08611	2.3
85.02920	7.3
86.09718	7.8
89.09776	1.3
91.03950	2.8
91.05470	13.1
92.08647	3.4
93.07019	11.8
95.04966	5.4
95.08591	9.3
97.02876	9.7
97.06538	1.7
101.02350	1.5
105.07026	12.6
107.08600	7.1
109.06525	1.5
109.10170	5.0
117.07058	1.6
119.08601	7.8
119.73058	1.4
121.10155	3.2
123.11727	1.9
124.08369	1.3
125.00005	7.3
127.03975	2.5
131.08586	2.6
133.10133	3.2
135.11681	1.7
140.09584	1.5
143.08586	1.7
145.10173	5.6
147.11668	2.7
149.13321	1.4
157.10219	2.5
160.90343	1.3
184.07333	14.3
207.13757	2.0
243.08418	8.5
333.20276	11.8
389.23071	2.2
465.21091	6.9
525.98615	1.4
551.28241	25.5
563.11450	1.5
574.45178	1.5
615.86200	1.5
775.42114	33.2
843.48145	2.1
860.48260	7.2
861.49475	100.0
862.49719	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	861.4963
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.0
64.32590	0.3
67.05494	4.6
69.03416	3.3
69.07055	2.9
69.93688	0.3
71.01326	0.3
71.04984	0.5
73.02906	3.5
79.05476	5.1
81.03411	2.8
81.03808	0.3
81.07038	7.0
83.04974	1.5
83.08608	2.2
85.02905	4.2
86.09709	1.6
87.04437	0.5
91.03941	2.6
91.05459	3.3
92.08646	1.2
93.07008	4.5
93.07455	0.3
95.04936	3.1
95.08594	3.0
97.02862	3.5
97.06540	0.7
99.04440	1.3
99.08148	0.4
101.02386	1.6
105.07031	3.6
107.04961	0.5
107.08579	3.0
109.02883	0.7
109.06525	0.7
109.10163	0.8
111.04443	0.5
115.16328	0.4
117.07020	0.7
119.08548	2.9
119.43091	0.3
121.10132	1.7
123.11741	0.4
125.00013	0.8
127.03907	0.4
131.08591	1.3
133.10144	2.0
135.11713	1.3
145.10146	0.6
147.11674	1.4
149.09621	1.3
159.11711	1.4
163.11185	0.7
184.07288	3.7
185.04225	0.7
243.08304	3.9
269.36957	0.4
275.20071	1.3
296.61621	0.4
333.20367	5.4
389.23056	2.0
408.88483	0.4
439.19424	0.7
453.21207	1.4
458.35239	0.4
551.28186	16.7
552.28729	0.4
652.24908	0.4
662.88043	0.4
733.41101	0.8
763.44275	0.3
782.45197	0.4
860.47449	1.2
861.49506	100.0
862.49756	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	859.4819
Annotation	Pectenotoxin 2
Peak:m/z	Relative Intensity
61.02919	2.9
67.05505	7.6
67.39073	1.1
69.03425	2.4
69.07050	2.9
69.88815	1.1
72.03584	1.2
72.50391	1.2
73.02914	5.5
79.05475	8.4
79.48618	1.3
81.03400	2.4
81.07058	11.4
83.04993	1.4
85.02884	2.1
90.97696	1.4
91.05485	9.2
93.07034	9.0
94.93742	1.5
95.04949	5.4
95.08589	7.8
97.02895	5.3
97.31660	1.3
105.06429	1.4
105.07005	10.4
107.04955	6.7
107.08604	6.5
109.02810	1.4
109.06519	2.6
109.10197	1.5
117.42325	1.3
119.08595	3.4
121.06522	3.5
121.10178	2.5
130.98119	1.4
131.08554	1.7
133.10103	2.7
135.08037	1.7
145.10152	2.8
147.11653	2.4
151.07526	15.7
152.07930	1.7
157.10143	1.8
159.11708	1.7
165.83365	1.5
184.07368	1.9
243.08521	3.4
333.20352	2.2
337.69345	1.5
496.82809	1.6
518.19403	1.6
531.25653	1.6
551.28418	7.1
773.41003	2.7
841.47498	5.3
859.47900	100.0
860.48584	2.6
887.31763	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	858.555
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	8.1
62.50100	1.1
64.33071	1.1
64.97656	1.2
65.03917	2.3
67.05491	54.3
68.60141	1.0
69.03391	1.3
69.07050	12.4
71.04964	4.3
71.07353	4.8
79.05474	34.9
81.03377	2.1
81.07037	37.8
83.04960	1.3
83.08598	8.2
85.06534	2.9
86.09687	52.0
91.05456	34.8
93.07020	36.2
95.04917	7.0
95.08578	20.5
97.06492	2.7
97.10137	4.7
98.98457	2.5
99.08092	1.9
104.10772	1.5
105.07009	41.7
107.04918	5.1
107.08569	23.2
109.06480	2.6
109.10138	25.8
111.08080	1.9
117.06995	11.8
119.08556	28.1
121.06469	5.0
121.10133	11.3
123.08055	1.5
123.11670	2.6
124.99973	32.3
125.09542	3.7
128.06210	1.2
129.06979	7.9
131.08549	18.1
133.10104	22.4
135.08098	1.7
135.11679	7.1
141.06966	1.9
143.08545	7.3
145.10117	12.8
147.11665	17.5
149.09619	2.7
149.13210	6.8
151.07497	1.8
155.08562	1.9
157.10095	7.6
159.11700	11.5
161.13229	10.3
163.11130	2.1
165.05466	1.2
169.10052	2.9
169.71217	1.2
171.11641	7.1
173.11707	4.6
173.13208	4.7
175.14801	1.8
183.11649	4.7
184.07298	100.0
185.13179	7.8
187.14732	1.6
197.13142	1.5
199.14815	2.9
209.13249	1.5
213.16464	1.3
227.12825	2.1
229.12276	1.3
229.14114	8.1
241.19362	5.1
259.20541	18.6
269.17502	2.3
275.20020	4.5
333.24124	16.4
349.23825	2.7
351.25369	1.6
367.24524	5.4
378.66177	1.5
487.34085	5.6
496.84903	1.1
505.35239	11.1
527.37305	12.9
581.22498	1.4
607.43738	10.4
625.44543	16.5
643.44678	1.4
840.52893	2.4
858.50012	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	859.3923
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02916	10.5
67.05482	3.9
69.03423	5.9
69.07063	0.9
69.85143	0.4
70.82781	0.4
71.01340	0.7
71.04993	2.0
71.14614	0.4
73.02895	7.0
75.17866	0.4
78.61250	0.5
79.05466	3.9
81.03394	10.7
81.03802	0.6
81.07018	5.0
82.03746	0.6
83.01329	0.5
83.04980	2.5
83.08599	3.5
84.08963	0.5
85.02888	13.5
85.03355	0.7
91.03922	5.9
91.05466	7.0
91.31633	0.4
92.05779	0.5
92.64066	0.5
93.07041	2.4
95.04948	3.6
95.08588	1.7
96.05270	0.6
97.02875	9.0
97.06530	0.6
97.10155	0.4
99.04450	1.8
101.02370	3.8
103.04002	0.5
105.07022	4.7
107.04967	1.7
107.08579	1.0
109.02929	0.7
109.06525	0.5
109.10129	1.8
111.08070	0.7
113.06060	0.5
115.03883	0.6
119.08579	3.2
121.06519	0.6
121.10145	1.7
123.08130	0.6
127.03924	3.5
129.07031	2.4
131.04973	0.7
131.08588	2.1
133.10184	3.1
137.05956	6.0
146.03644	1.0
147.11685	2.5
149.09598	0.6
151.03964	0.6
153.05463	0.9
157.10150	2.7
158.59407	0.5
161.06009	3.0
163.11179	0.5
167.07056	0.6
175.11194	2.4
176.11507	0.5
177.05461	0.6
178.06255	0.6
185.04178	0.7
193.12192	4.4
201.39105	0.4
202.56412	0.5
211.13232	3.3
213.09279	0.5
238.10439	0.5
243.08469	2.9
251.12601	1.7
259.06100	0.7
267.15891	0.9
271.05777	0.5
273.07513	4.2
285.10080	0.8
285.17001	2.1
286.08060	0.4
286.17349	0.5
289.09518	0.6
293.07870	0.6
301.10760	2.6
307.15250	1.0
347.09503	4.1
365.10773	0.7
395.11316	0.5
405.13748	7.0
409.12830	1.9
440.18750	0.5
469.20392	18.9
559.15851	0.8
631.25696	14.2
689.81879	0.6
697.34314	2.7
709.22528	3.9
859.39172	100.0
860.39960	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	858.5123
Annotation	Unknow
Peak:m/z	Relative Intensity
59.99519	2.8
61.02927	3.3
67.05489	77.4
69.03426	3.3
69.07048	25.2
71.04958	4.0
71.51723	3.2
79.05476	60.7
81.03385	4.8
81.07039	100.0
83.04934	4.5
83.08623	12.9
85.02894	3.8
85.06477	4.0
91.05468	41.0
93.07027	60.2
95.04948	20.0
95.08571	51.1
97.06509	3.6
97.10154	5.5
102.03606	3.1
105.07019	37.3
107.04937	13.8
107.08599	29.9
108.25566	3.1
109.06512	5.6
109.10133	24.4
117.07024	18.2
119.08576	33.8
121.06494	7.1
121.10116	26.3
123.08059	19.0
123.11751	3.7
125.09618	4.8
129.06992	15.0
131.08556	28.3
133.06425	3.6
133.10109	21.2
135.08020	4.8
135.11647	13.9
143.08556	7.6
145.10135	27.1
147.08066	5.0
147.11705	8.0
149.09619	12.4
157.10062	6.2
161.09610	12.6
173.09610	4.5
173.13254	5.8
255.17294	6.5
273.18472	20.6
291.19431	32.9
335.25793	61.3
352.85028	3.5
383.19693	19.0
401.20685	38.7
625.44458	7.1
643.40778	15.8
661.42584	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	857.377
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	9.9
61.31050	1.5
63.87096	1.1
67.05497	21.7
68.05846	2.3
69.03414	9.2
69.07066	2.9
71.04986	2.7
73.02906	8.1
79.05490	13.1
81.03402	22.7
81.07038	16.4
83.01316	1.7
83.04952	5.2
83.08618	9.6
85.02894	17.4
91.03955	7.8
91.05474	15.2
92.05816	1.5
92.08648	2.8
92.32827	1.5
93.07030	12.9
95.04956	10.7
95.08614	5.2
97.02886	11.6
97.06562	3.2
105.07049	9.7
107.04953	2.8
107.08614	8.0
108.50391	1.6
109.10159	9.6
111.08058	3.3
117.06944	1.6
119.08561	2.7
121.10133	3.4
127.03911	2.7
129.07024	3.4
131.08563	3.5
133.10147	5.7
135.11742	1.9
137.09567	2.1
145.05042	2.3
147.11664	2.6
149.09692	2.6
150.51349	1.7
157.10191	2.1
163.11176	1.5
175.11243	1.9
177.05338	1.8
179.66171	1.5
193.12155	11.3
194.12646	1.9
211.13383	5.7
267.15958	6.9
268.16318	1.7
269.17450	2.3
288.53860	1.6
347.09729	2.0
352.44461	1.5
390.24615	1.5
401.97470	1.4
405.13699	7.5
439.26819	2.8
440.27203	2.4
447.27341	3.4
448.27353	1.8
461.29169	10.7
462.29315	6.2
465.28455	7.4
466.28922	3.0
467.18915	7.9
469.20444	8.6
479.30545	1.9
497.30569	3.5
629.23865	5.5
631.25482	6.4
857.37640	100.0
858.38391	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	857.4654
Annotation	Aurantimycin A
Peak:m/z	Relative Intensity
61.02914	4.5
67.05504	6.2
69.03421	3.2
69.07069	4.6
73.02901	4.2
77.36080	0.8
79.05479	6.2
81.03399	1.7
81.07052	6.2
85.02908	3.7
91.03973	1.0
91.05473	4.6
93.07039	5.9
95.04951	1.4
95.08610	4.5
97.02894	4.5
101.02403	1.3
105.07041	4.2
107.08592	3.7
109.06507	1.9
109.10152	1.3
119.08579	1.5
127.03864	1.4
131.08559	1.1
133.10156	1.6
147.11710	0.9
150.69630	0.8
161.09674	1.0
163.49989	1.0
185.13428	0.9
193.12236	1.2
223.13231	1.5
243.08295	6.1
291.19751	0.9
311.02441	0.8
331.18942	3.2
335.59113	0.9
451.19705	1.2
531.25769	1.2
549.26343	8.2
759.39160	1.2
839.45050	4.9
857.46472	100.0
858.46716	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	857.4861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	7.2
62.91731	1.2
63.15952	0.8
67.05479	9.6
68.05836	1.9
69.03421	4.7
69.07066	1.6
73.02912	5.7
79.05478	5.7
81.03414	5.4
81.07047	8.3
83.19742	1.0
85.02896	9.3
91.03938	5.6
91.05472	2.2
93.07039	8.0
95.04935	1.4
95.08595	6.2
97.02867	8.9
101.02369	1.6
105.07027	1.5
107.08591	4.6
109.10154	3.7
119.08591	1.9
121.10130	1.7
127.03938	1.6
131.08588	1.4
135.11700	6.4
147.11928	1.2
178.70625	1.0
243.08427	3.8
248.32953	1.1
262.50824	1.2
313.27554	2.1
317.00308	1.1
347.09555	4.3
405.13455	7.4
439.19302	11.8
497.30121	7.3
601.24640	9.4
647.29620	1.1
659.36029	5.0
671.99457	1.4
857.48492	100.0
858.48682	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	856.5769
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	1.5
63.44949	0.5
65.03928	2.6
66.19075	0.6
67.05492	100.0
69.03410	3.7
69.07053	24.6
71.04976	11.4
73.06550	0.8
73.32568	0.7
79.05476	65.6
81.03413	7.5
81.07039	86.5
81.28951	0.7
83.04980	5.2
83.08598	12.1
85.02895	4.3
85.06525	4.5
87.04458	0.8
91.04874	1.5
91.05462	44.5
93.07024	73.7
95.04948	10.8
95.08586	52.8
96.17761	0.7
97.02876	2.8
97.06523	9.5
97.10142	8.2
98.15252	0.7
99.08060	1.0
105.04453	1.2
105.07014	30.6
107.04932	5.4
107.08580	39.5
109.06525	5.6
109.10148	49.0
111.08082	5.9
115.05456	1.7
117.07014	13.6
119.08559	25.6
121.06507	4.0
121.10128	24.7
123.08056	3.0
123.11665	5.5
125.09606	6.4
129.05428	0.9
129.06992	4.2
131.08548	22.1
133.10101	17.2
135.08025	3.1
135.11668	13.5
137.09608	1.7
141.06975	1.0
143.08521	3.8
145.10115	13.2
147.08051	0.8
147.11690	10.0
149.09561	5.3
149.13234	8.5
151.11246	1.1
153.93016	0.8
155.08560	1.3
155.10660	2.8
157.10121	3.9
159.08025	1.0
159.11659	12.9
161.13269	4.3
163.11133	3.4
163.14825	0.9
165.12721	0.9
169.10081	1.0
171.11607	3.5
173.11697	6.9
173.13242	6.8
175.14851	1.6
177.12756	1.0
183.11678	1.2
187.14813	3.8
189.11238	1.3
195.11609	1.1
195.13747	1.3
197.13210	2.6
199.14851	1.2
227.12758	4.1
229.14307	21.6
239.17937	1.1
243.20955	3.8
247.20625	1.2
257.18948	1.5
261.22162	7.6
269.17450	3.3
275.20029	11.9
317.24609	1.0
331.22723	1.3
333.24155	0.8
335.25742	59.2
336.67682	0.9
345.04514	0.7
349.23663	10.1
381.26459	1.4
413.21564	6.3
470.79807	0.8
489.35687	20.0
507.36417	3.6
529.38751	56.2
530.39044	4.0
569.41620	2.7
609.44910	24.2
610.45184	0.8
627.45667	4.8
637.40405	1.1
641.47388	6.5
655.41235	1.0
673.43286	7.0
695.76105	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5413
Annotation	Unknow
Peak:m/z	Relative Intensity
60.05549	2.2
65.03912	2.2
67.05493	100.0
69.03417	2.3
69.07053	43.0
71.01331	3.0
71.04993	8.4
71.08602	2.6
74.86624	2.0
76.23678	2.2
79.05470	66.8
81.03396	11.3
81.07039	84.0
83.04967	13.5
83.08609	13.1
85.02905	3.3
85.06550	3.0
91.05457	50.5
92.08750	2.8
93.07029	80.9
95.04963	18.2
95.08586	49.7
97.02871	4.4
97.06517	17.2
97.10146	5.1
99.04434	3.9
99.08112	3.0
105.07008	36.7
105.13274	2.2
107.04964	9.2
107.08573	41.5
109.02859	4.4
109.06505	13.0
109.10130	28.8
111.04449	4.7
111.08097	3.2
115.05427	2.6
117.07003	12.3
119.08538	27.4
121.06503	3.4
121.10116	30.2
123.04435	9.9
123.08075	9.2
123.11736	3.3
125.09586	3.9
129.06963	4.4
131.08553	22.8
133.06493	3.4
133.10124	23.3
135.08018	10.6
135.11713	21.2
137.09616	3.9
143.08556	3.3
145.06491	3.3
145.10109	19.1
147.11671	4.6
149.09625	3.4
157.96338	2.2
159.11694	10.3
161.13287	4.1
163.11159	4.8
169.10132	3.4
173.09560	4.0
173.11810	3.3
173.13239	3.5
187.11346	2.6
193.12181	54.5
227.12794	3.6
229.14297	11.3
261.22134	5.2
289.17896	29.9
307.18982	12.3
335.25739	55.2
363.21545	10.3
381.22687	9.8
399.23810	40.1
489.35648	8.8
523.65021	2.6
615.71558	2.6
623.42609	12.7
641.43683	15.0
659.45026	24.7
687.89209	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	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03913	2.4
66.47137	1.5
67.05140	3.3
67.05489	80.2
69.03395	9.1
69.06710	2.5
69.07052	41.5
70.36111	1.5
71.04972	8.3
79.05473	79.7
81.03406	13.0
81.07037	93.2
82.07362	1.8
83.04959	21.8
83.08117	2.6
83.08603	70.5
85.02876	7.7
85.06521	7.1
86.09692	2.4
91.05461	79.3
92.05758	2.1
93.07025	90.7
95.04948	100.0
95.08583	60.9
97.02853	3.5
97.06521	17.7
97.10143	14.2
99.04435	9.9
103.05470	1.9
105.04485	1.6
105.07014	71.7
107.04943	39.4
107.08583	60.3
109.06499	24.6
109.10140	29.1
111.04421	15.0
111.08038	13.6
113.05946	1.8
117.06992	28.8
119.08558	60.1
121.06491	11.9
121.10130	40.1
123.08016	13.4
123.11687	7.9
125.00006	2.0
125.09592	13.9
129.06964	11.9
130.07782	2.6
131.08545	41.2
133.10094	44.4
134.10487	2.3
135.08046	12.1
135.11662	21.9
137.09602	9.8
139.11180	2.3
141.06978	2.9
142.07736	1.7
143.08525	10.2
145.06444	2.9
145.10112	45.4
147.08034	8.9
147.11664	31.6
149.09598	49.7
149.13226	7.7
151.11172	7.8
153.12759	1.7
155.08537	9.1
157.10109	10.0
159.11652	25.2
161.09561	3.6
161.13248	8.0
163.11142	53.7
165.12755	9.9
169.10098	8.4
171.11641	8.2
173.09647	1.9
173.13190	6.5
175.09726	1.9
175.11093	3.9
177.12701	10.1
181.12196	2.2
183.11667	3.7
184.07309	8.1
187.11110	6.6
187.14876	2.8
189.11169	3.0
191.10616	2.1
191.14304	2.4
197.13213	3.5
201.12671	2.1
205.12224	4.0
211.14853	2.9
223.13245	26.2
229.19455	8.8
239.17876	8.8
247.20569	3.2
257.18973	15.4
269.72006	1.6
275.20016	88.9
293.21097	32.3
331.22375	2.4
349.23685	81.0
367.24710	95.0
543.36523	6.8
561.37720	7.0
615.64954	2.1
623.43066	37.4
640.43103	1.9
641.44006	75.1
654.39044	2.1
659.44904	61.5
750.26721	2.0
753.84851	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	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	1.8
65.03917	4.0
67.05485	71.7
69.03424	4.1
69.07050	40.8
71.04993	6.8
71.52544	1.5
79.05471	80.3
81.03398	17.3
81.07034	88.6
81.85322	1.8
82.27801	1.7
83.04960	26.3
83.08595	53.4
85.02890	10.5
85.06538	3.9
86.09668	2.1
91.05452	68.0
93.07018	80.9
95.04943	100.0
95.08585	48.2
97.06515	10.3
97.10140	24.6
99.04443	10.4
99.08068	2.1
105.07012	68.0
107.04926	24.8
107.08574	57.6
109.06492	15.9
109.10155	19.2
110.21181	1.6
111.04411	23.9
111.08053	12.3
117.06996	27.1
119.08544	60.6
121.06474	13.4
121.10107	31.8
123.08030	18.5
123.11665	3.5
125.05978	2.2
125.09592	20.0
127.03790	1.8
128.77988	1.7
129.06978	12.5
130.07803	2.3
131.08521	38.9
133.06523	3.7
133.10094	44.3
135.07996	12.4
135.11662	19.3
137.09596	8.4
141.07028	2.0
142.07788	2.9
143.08539	11.9
145.06497	4.0
145.10104	43.8
147.08005	12.9
147.11678	28.0
148.54129	1.8
149.09599	46.4
149.13275	6.9
151.11176	3.0
153.12761	4.2
155.08528	7.7
157.10088	10.2
159.11668	22.7
161.09564	4.1
161.13243	8.9
163.11147	44.8
165.09079	2.4
165.12714	7.6
169.10110	3.3
171.11665	12.8
173.09616	3.7
173.13258	9.5
175.11232	3.0
175.14798	2.6
177.12746	7.3
181.12196	4.3
183.11621	3.8
184.07336	3.0
185.13190	7.9
187.11131	3.0
187.14885	2.0
189.11217	11.6
191.10640	2.8
193.11984	2.8
197.13335	3.3
205.12250	7.9
215.17886	2.4
222.45461	2.2
223.13234	33.5
227.12738	10.9
229.19374	2.5
239.17908	8.5
241.19449	3.0
257.19019	9.9
259.20593	10.2
273.18478	9.1
275.20035	63.4
286.08133	1.9
291.19440	21.4
293.21027	32.7
309.20560	3.2
315.23166	2.5
333.24301	19.3
340.23972	1.9
349.23685	43.1
364.47821	2.0
365.23157	8.4
367.24698	65.1
383.24152	8.7
456.44833	1.9
513.36188	2.1
531.37946	2.9
605.42365	2.8
623.42841	45.2
641.44006	61.5
659.44952	49.7
685.06207	2.1
818.06427	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	856.5411
Annotation	Unknow
Peak:m/z	Relative Intensity
64.32904	1.2
64.41375	1.1
65.03907	2.1
67.05492	79.2
67.34316	1.2
69.03398	11.1
69.07054	35.3
70.98434	1.3
71.04967	7.0
73.02892	1.6
79.05477	64.9
81.03413	12.9
81.07037	100.0
83.04965	15.9
83.08593	23.3
85.02876	4.8
85.06513	2.7
91.05459	54.4
93.07022	68.0
95.04941	37.5
95.08578	43.6
97.02869	2.1
97.06497	10.5
97.10140	8.8
99.04414	2.3
99.08057	2.4
103.05428	2.2
105.07010	53.3
107.04940	22.0
107.08575	46.4
109.06483	16.6
109.10134	14.7
111.04402	3.0
111.08049	5.2
117.07006	21.2
119.08560	36.5
121.06480	9.7
121.10111	24.3
123.08051	7.2
123.11695	5.1
125.09605	7.0
126.86729	1.6
127.03842	1.4
128.06221	1.3
129.06970	8.8
130.07733	2.3
131.04921	2.6
131.08543	33.0
133.06497	2.7
133.10106	26.8
135.08049	9.2
135.11661	19.5
137.09570	2.6
139.11209	1.8
141.06970	2.6
142.07753	2.0
143.08522	8.4
145.06468	2.2
145.10092	22.6
147.08043	2.2
147.11679	17.1
149.09610	20.5
149.13223	6.9
151.11230	2.5
155.08554	5.2
156.91006	1.4
157.10124	5.9
159.11682	12.0
159.43274	1.3
161.09532	2.0
161.13246	5.3
163.11153	15.5
163.14716	1.5
165.12714	3.0
169.10138	5.8
171.11714	5.3
173.13199	6.3
175.11185	2.3
177.12726	5.2
183.11702	3.1
185.13179	2.6
187.11110	2.5
187.14838	1.7
187.77544	1.3
189.11168	3.1
195.13766	2.1
197.13199	1.5
201.12703	1.5
205.12201	2.5
217.48259	1.3
223.13200	9.6
227.12805	2.2
229.19379	2.3
239.17928	2.9
247.20427	2.8
255.15932	5.2
257.18948	9.2
267.15860	1.5
269.11755	2.5
269.17429	20.6
274.18301	1.5
275.20004	44.8
291.19379	2.3
293.20877	12.3
331.22537	2.4
339.62994	1.5
349.23727	34.7
367.24734	36.0
449.29199	14.1
463.30365	18.8
529.35211	2.3
543.36749	20.6
561.37476	6.0
623.42627	15.8
623.63397	1.5
640.43542	1.8
641.44043	25.5
659.45007	20.5
857.46429	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	856.5402
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.0
65.03931	1.9
66.68923	1.4
67.05493	92.2
68.05823	1.7
69.03418	7.0
69.07056	35.3
71.01355	2.6
71.04961	3.9
73.02902	3.3
79.05474	65.9
81.03398	10.3
81.07038	100.0
82.07393	1.4
83.04964	17.1
83.08604	15.3
85.02885	3.2
85.06525	3.6
91.05464	66.2
92.08632	3.5
92.69430	1.6
93.07020	70.9
95.04947	25.5
95.07996	3.3
95.08582	53.8
97.02863	9.6
97.06498	13.5
97.10138	14.8
97.10686	1.6
99.04399	2.0
99.08054	3.5
105.07008	51.4
107.04939	13.0
107.08580	43.1
109.06513	15.8
109.10138	36.3
111.04385	1.9
111.08052	6.1
115.05421	1.8
116.04680	6.5
117.07015	21.2
119.08556	38.1
121.06489	6.8
121.10117	27.9
123.04434	6.5
123.08031	9.9
123.11658	3.2
125.00010	1.7
125.09634	13.2
128.06253	2.0
129.05453	14.5
129.06984	7.6
131.08533	22.0
133.06425	1.8
133.10117	21.8
135.08028	12.4
135.11668	19.5
137.09575	18.1
137.13327	1.8
142.07750	2.4
143.07054	7.9
143.08574	8.1
145.10104	18.2
147.07977	3.7
147.11676	11.3
149.09604	8.3
149.13205	7.0
153.09044	2.1
155.08566	2.3
157.08594	10.9
157.10146	8.0
159.08049	1.9
159.11684	11.3
161.09612	7.1
161.13254	2.8
163.11182	3.5
169.10080	3.4
171.10100	1.8
171.11627	3.3
173.11775	2.5
173.13217	6.4
175.11153	3.1
177.12883	1.7
183.11774	1.7
184.07375	2.2
185.13197	3.6
187.14813	2.5
189.11124	2.8
191.14452	1.7
193.12227	14.9
199.14798	2.2
227.12740	2.7
229.14241	2.9
239.12746	2.3
259.20551	6.2
261.22156	6.1
271.16910	1.7
273.18457	10.5
277.21515	1.7
289.18121	3.3
291.19424	7.2
328.10464	1.7
335.25735	54.4
347.22195	2.8
350.82260	1.4
365.23160	8.8
399.23749	39.2
489.35422	6.7
572.97931	1.8
621.19861	1.9
625.44482	19.7
659.45117	70.2
678.49225	1.7
714.20856	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5403
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.7
65.03927	2.5
67.05487	100.0
69.03404	5.0
69.06664	1.5
69.07047	42.3
71.01320	5.7
71.04973	8.2
73.02880	2.8
74.85089	1.0
79.05469	75.5
81.03388	15.2
81.07033	89.5
83.04965	13.4
83.08595	20.6
85.02872	7.2
85.06536	2.1
86.09724	1.1
91.03928	1.5
91.05453	51.1
93.07021	86.5
95.04940	23.5
95.08575	55.3
97.02879	9.7
97.06480	14.3
97.10142	9.4
99.08043	2.5
105.07009	38.0
107.04922	6.5
107.08567	39.9
109.02841	2.6
109.06499	13.2
109.10141	34.9
111.04414	2.5
111.08041	7.6
115.05471	1.8
116.04657	4.7
117.06976	16.4
119.08556	32.0
121.06464	4.5
121.10117	30.3
123.04389	6.8
123.08030	9.2
123.11683	4.8
125.09601	6.1
128.06195	1.3
129.05464	12.2
129.06960	6.7
131.08534	20.6
133.06483	1.8
133.10101	19.1
135.08014	11.6
135.11650	18.9
137.09605	8.2
139.07544	1.4
143.06976	2.2
143.08511	6.5
145.06471	1.2
145.10100	14.6
147.08028	5.7
147.11649	7.2
149.09569	8.7
149.13211	6.2
151.11076	2.0
153.09065	4.6
155.08549	2.9
157.08591	2.7
157.10101	6.0
157.44736	1.3
159.08003	2.3
159.11650	5.9
161.09586	5.3
161.13220	5.1
163.11145	7.8
165.08990	4.5
166.33047	1.2
171.10054	1.3
171.11551	1.5
173.09592	4.1
173.11682	4.5
173.13205	5.3
175.11168	2.1
184.07230	1.7
187.11147	1.7
187.14792	1.6
189.11163	1.5
191.10616	2.2
193.12193	44.4
221.11664	1.7
227.12746	2.3
229.14285	6.4
243.20985	1.2
261.22031	7.8
271.16809	2.8
273.18423	6.0
289.17981	18.1
291.19437	2.3
307.18954	6.1
317.24725	1.9
325.19870	2.7
334.06284	1.2
335.25711	68.0
363.21674	7.7
365.23102	6.2
381.22540	7.7
399.23627	33.1
400.23602	1.5
407.97321	1.5
489.35565	5.2
623.43109	15.7
625.44244	5.8
641.43848	9.8
659.45013	45.6
781.56134	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5405
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	2.2
67.05489	58.1
69.03395	4.7
69.07056	26.8
69.19633	1.2
71.04989	5.5
79.05472	54.0
81.03410	2.8
81.07034	100.0
82.07378	1.6
83.04960	8.7
83.08596	29.2
85.02879	1.8
85.06526	2.0
87.81750	1.2
91.05461	55.1
93.07027	52.4
95.01329	1.9
95.04951	26.7
95.08585	37.2
97.06518	12.0
97.10171	2.7
99.08094	2.0
101.97039	1.7
105.07004	49.8
105.07654	2.3
107.04932	18.4
107.08568	31.6
108.40156	1.5
109.06492	19.5
109.10142	18.2
111.08060	7.5
117.07004	15.0
119.08550	37.6
121.06476	8.5
121.10121	22.9
122.78271	1.5
123.08052	7.9
123.11697	7.3
124.92800	1.7
125.09599	2.7
129.06969	6.9
131.08540	24.1
133.06541	2.0
133.10114	31.1
135.08069	5.1
135.11681	11.5
137.09612	7.8
141.06940	1.8
142.07704	2.0
143.08557	7.1
145.06448	2.3
145.10121	24.0
147.07976	1.8
147.11646	27.7
149.09583	22.3
149.13229	3.5
151.07486	2.2
151.11180	6.4
155.08528	7.0
157.10173	6.3
159.11665	12.8
161.09570	1.6
161.13266	3.4
163.11139	23.2
165.12715	10.3
169.10146	2.6
171.11678	3.2
173.09671	1.8
173.13225	7.2
175.11198	2.2
177.12817	1.4
183.11633	2.2
184.07329	1.8
185.13264	2.3
187.14865	2.0
193.12169	2.3
201.12849	1.5
223.13257	1.8
229.19453	2.5
239.17940	7.7
247.20685	2.5
257.18884	10.5
275.19968	46.5
293.20956	9.3
335.25406	1.8
348.19888	1.6
349.23654	47.6
349.27670	2.7
350.23721	2.0
353.34909	1.6
367.24738	54.7
545.22778	1.4
623.42950	29.0
641.44025	43.1
659.45123	34.8
706.28564	1.8
857.45618	2.5
878.39056	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.5407
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	2.0
65.03893	2.5
67.05141	3.0
67.05491	74.1
69.03410	12.7
69.07054	47.5
70.07384	2.1
71.04989	3.6
76.25492	1.7
76.28717	1.7
76.81378	1.7
79.05473	73.4
81.03396	10.7
81.07039	100.0
82.07369	4.1
83.04961	14.6
83.08606	25.7
84.05308	1.8
85.02918	5.7
85.06537	3.8
85.54382	1.6
86.09671	2.9
91.04888	2.4
91.05460	69.8
92.05795	3.2
93.07022	69.6
94.07354	3.1
95.04947	17.5
95.08577	43.5
96.08925	2.3
97.02872	7.1
97.06525	13.4
97.10136	23.2
98.10516	1.8
102.68121	1.6
103.05441	1.8
105.07008	63.1
107.04932	16.3
107.08579	53.3
109.06509	15.3
109.10129	18.1
111.04382	2.1
111.08057	4.0
115.05466	2.3
117.07001	29.4
119.08553	42.9
120.08997	2.2
121.06485	8.1
121.10131	20.2
123.08051	7.6
123.11685	7.4
125.09586	19.1
126.47874	1.7
127.03859	2.2
129.06995	9.5
129.77930	1.6
131.08533	27.1
133.06491	2.6
133.10107	26.2
134.10489	2.1
135.08026	11.1
135.11668	9.5
137.09663	2.8
141.07005	2.6
143.08557	10.2
144.64769	1.7
145.10124	28.5
147.08040	3.2
147.11667	17.9
149.09578	12.8
149.13284	9.2
151.11162	3.1
155.08575	4.0
157.10112	12.9
159.11656	19.8
161.09628	2.8
161.13242	6.1
163.11133	9.9
169.10107	7.1
171.11690	8.7
173.13263	8.7
175.11205	2.8
177.12746	2.7
179.14246	1.8
181.10022	1.6
183.11617	2.7
184.07303	3.3
185.13260	3.1
187.00333	2.0
189.11183	7.8
197.13385	2.9
199.14632	2.2
213.94708	1.8
223.13179	3.5
224.13692	1.9
227.12683	14.2
229.19601	2.1
239.17903	2.3
241.19652	2.1
247.20483	2.4
257.18942	7.2
259.20511	2.7
269.17447	7.2
273.18478	2.1
275.20016	35.9
291.19434	20.4
292.19952	12.0
293.20740	4.1
333.24265	2.7
349.23602	32.8
365.23196	7.2
366.23856	5.9
367.24588	17.0
367.37167	2.3
436.47974	2.0
513.35687	3.2
525.34741	1.9
536.90948	1.9
543.36627	13.6
559.36292	4.1
560.36353	9.5
561.36658	8.7
607.43243	9.7
623.42554	8.7
625.44409	15.6
640.42444	3.4
641.43884	17.1
659.45013	11.9
784.28217	1.9
807.60205	2.1
856.44061	2.0
857.45361	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	856.453
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02922	11.5
65.03903	1.4
67.05490	100.0
68.11685	1.4
69.03418	3.5
69.07052	12.2
71.04971	26.3
73.02898	6.3
77.51037	1.2
78.20270	1.3
79.05470	40.5
81.03389	55.3
81.06595	3.0
81.07037	56.4
83.04954	15.9
83.08603	21.5
85.02892	30.1
85.06525	5.5
91.03938	8.1
91.05455	44.5
93.07016	38.8
95.04955	27.0
95.08596	20.3
97.02855	13.4
97.06527	7.0
97.10162	6.2
99.08087	1.6
105.07007	29.0
107.04939	10.8
107.08578	22.8
109.06511	7.7
109.10147	72.5
111.04427	2.8
111.08044	9.9
113.05995	2.2
117.06999	2.7
119.08547	33.2
121.06474	2.5
121.10116	14.0
123.08015	2.6
123.11665	2.5
125.09603	2.7
127.03906	1.7
129.06956	12.0
131.04880	1.7
131.08571	12.8
133.06480	2.4
133.10101	16.8
135.11682	17.8
137.05980	1.8
137.09584	12.0
145.04921	1.5
145.10149	6.3
147.08064	2.2
147.11653	16.7
149.09641	7.6
149.13245	2.2
151.11169	2.2
157.10114	17.4
159.11620	1.8
163.11198	7.0
165.12770	2.0
169.12242	1.5
173.11694	10.0
174.87895	1.3
175.11125	15.5
181.12250	2.3
193.12233	35.8
195.86359	1.3
200.69814	1.7
211.13254	23.4
213.03188	1.4
229.14339	1.9
233.52361	1.4
243.15988	2.2
249.14749	1.4
255.15857	9.1
267.15854	18.7
269.17465	7.3
285.16843	10.2
287.18481	9.7
293.55582	1.8
361.05753	1.6
421.25650	19.7
433.63803	1.4
439.26782	49.9
447.27271	44.7
453.28308	6.1
461.29041	23.2
465.28363	63.6
479.29886	19.6
497.31158	35.7
498.30957	1.6
623.33704	3.3
641.35095	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	856.4526
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	16.0
63.82161	1.3
67.05488	100.0
69.03400	6.1
69.07046	10.9
71.04967	21.6
72.54588	1.5
72.81751	1.4
73.02900	3.5
74.25084	1.4
77.28305	1.4
79.05466	36.3
81.03394	50.3
81.06547	1.7
81.07030	49.0
81.36922	1.5
81.72670	1.4
83.04958	17.5
83.08610	23.6
85.02888	37.6
85.06531	3.0
87.04459	1.6
91.03922	8.7
91.05457	47.2
93.07021	36.4
95.04956	23.3
95.08584	19.5
97.02847	12.0
97.06514	7.7
97.10126	2.4
97.82095	1.7
99.04390	1.5
99.08068	2.7
105.06998	23.9
107.04913	11.4
107.08579	19.9
107.31960	1.4
109.06503	7.7
109.10131	55.3
111.08060	11.1
114.36610	1.8
117.07030	7.7
119.08551	31.9
121.06492	2.9
121.10127	9.9
123.08061	2.5
123.11702	2.0
125.09599	2.2
127.03827	3.1
129.06976	9.4
131.08524	16.5
133.10098	18.2
135.08014	2.2
135.11638	17.7
137.09578	10.0
145.04967	2.4
145.10107	6.3
147.08018	2.6
147.11655	12.6
149.09583	2.7
149.13217	2.9
151.11136	1.6
157.10068	14.5
163.11182	2.7
165.12631	2.3
173.11781	11.1
173.13029	1.9
175.11177	12.6
181.12140	1.8
189.77821	1.7
193.12190	35.0
211.13280	25.1
248.99416	1.5
255.15865	7.9
267.15781	16.2
269.17444	6.3
285.16928	15.6
287.18573	5.9
321.92520	2.1
421.25595	15.5
439.26917	36.7
447.27362	33.2
453.28128	4.0
461.28949	16.5
465.28384	50.1
479.30042	21.3
497.31052	39.8
569.43994	1.7
605.33362	2.5
641.35730	3.3
841.42578	2.0
858.27338	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	856.4535
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	5.2
65.03945	0.7
67.05492	37.8
68.36207	0.9
69.03405	3.9
69.07059	11.0
69.98949	0.7
71.01334	1.9
71.04977	4.7
71.08570	0.7
73.02893	1.1
74.74897	0.9
79.05476	34.1
81.03404	59.5
81.07042	26.4
83.04976	10.5
83.08599	15.7
85.02893	6.7
85.06546	3.8
91.03918	1.5
91.05463	23.8
93.07023	39.3
95.04951	22.3
95.08581	9.3
97.02863	4.4
97.06514	9.1
97.10148	9.0
99.08078	1.1
103.62928	0.9
105.07014	13.5
107.04940	6.5
107.07867	1.3
107.08585	29.8
109.06490	4.0
109.10153	6.4
111.04424	1.5
111.08080	7.4
117.06979	4.7
119.08565	13.4
121.06471	4.3
121.10120	11.5
123.08075	1.1
125.09602	1.7
127.03893	1.0
129.06990	8.2
131.08559	8.0
133.06468	1.8
133.10115	8.4
135.08067	1.3
135.11687	34.6
137.05965	2.1
137.09573	2.0
142.07762	1.5
145.10135	6.6
147.08047	1.2
147.11693	7.7
149.09602	3.5
157.10100	7.4
159.11745	1.1
163.11150	5.5
165.12738	2.1
175.11166	6.2
181.12236	5.8
193.12236	17.1
204.24797	0.8
211.13263	4.0
249.14940	1.4
255.15863	40.9
267.15869	37.3
268.16141	1.2
269.17328	2.0
285.16910	3.8
287.25238	1.1
355.22754	1.1
403.24750	1.4
421.25903	9.1
447.27353	100.0
461.28885	4.6
465.28421	4.0
479.30045	12.8
489.28271	3.8
623.34241	1.6
707.20740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5628
Annotation	Unknow
Peak:m/z	Relative Intensity
60.81595	4.0
61.02900	7.0
66.30569	3.3
67.05492	100.0
67.46317	4.2
68.05819	5.5
69.07052	43.4
71.04980	16.3
71.08610	9.9
72.89269	4.3
73.02872	3.8
78.82903	3.5
79.05476	70.0
81.03411	5.3
81.07034	86.2
83.04975	7.5
83.08610	9.9
85.02872	9.9
85.10165	7.0
91.02463	4.0
91.05478	48.3
93.07023	88.9
95.04939	7.1
95.08580	55.4
97.02825	7.1
97.06509	15.1
97.10149	27.2
105.07017	40.4
107.04938	6.1
107.08571	56.5
109.06528	6.8
109.10181	29.2
111.04395	6.8
117.07000	15.4
119.08546	30.2
121.10114	26.4
123.08002	7.2
125.09623	6.1
131.08566	15.7
133.10107	21.7
135.08015	5.8
135.11635	50.5
136.11995	7.1
137.09537	7.6
138.06880	4.0
138.39828	4.1
145.10052	16.7
147.08044	5.3
147.11626	4.4
149.09576	6.6
156.30502	4.0
163.11221	6.4
209.11751	8.2
227.12785	4.9
255.15848	42.5
256.16290	23.5
257.16592	5.3
284.57269	4.6
291.19608	15.4
313.27182	21.4
314.27728	6.9
335.25677	61.1
397.25955	8.5
493.38742	16.3
494.39410	40.5
495.39270	23.4
526.12140	5.0
625.44244	15.9
657.47101	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	854.525
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03909	3.0
67.05489	55.1
69.03412	11.2
69.07053	38.2
78.39295	1.5
79.05475	73.1
81.03415	10.5
81.07037	100.0
83.04957	11.9
83.08590	23.7
85.02893	3.7
85.06495	2.7
91.04884	2.0
91.05453	58.2
93.06424	2.0
93.07014	44.3
94.73961	1.4
95.01302	1.8
95.04945	44.7
95.08582	27.7
97.02859	8.7
97.06490	9.7
97.09588	1.6
97.10142	13.7
99.08098	1.9
105.07014	43.6
107.04926	23.6
107.08575	34.4
109.05817	2.0
109.06502	38.5
109.10116	19.0
111.04427	3.5
111.08058	6.1
117.06998	18.8
119.04892	2.0
119.08546	31.5
121.06445	12.3
121.10122	18.5
123.08041	8.2
123.11656	1.6
125.09592	14.4
129.06993	7.5
131.08524	21.4
133.06410	2.7
133.10103	24.0
135.08046	11.5
135.11676	13.4
137.09584	3.4
141.06839	1.6
143.08525	7.6
145.06488	2.3
145.10083	23.9
147.08040	7.6
147.11658	16.9
149.09613	17.5
149.13232	5.8
151.11151	3.5
153.12694	2.0
155.08511	2.6
157.10109	8.7
159.08028	1.7
159.11659	12.8
161.09598	8.8
161.13190	2.4
163.11182	17.2
165.12714	3.4
171.11615	6.5
173.13235	2.6
175.11188	6.1
177.12755	2.7
185.13242	2.1
187.11201	1.7
189.11205	3.1
191.10492	1.6
193.12283	2.0
223.13242	27.5
227.12752	3.4
239.17931	1.8
245.19028	1.5
257.19061	1.8
273.18417	16.8
275.20007	29.5
291.19461	65.4
293.21155	10.5
297.59622	1.6
347.22049	8.0
349.23776	18.9
365.23169	32.1
367.24683	19.8
435.85938	1.7
545.98785	1.8
559.36133	16.4
621.41565	14.5
639.42413	46.5
657.43341	49.0
725.23102	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5253
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02931	3.5
61.43550	1.7
64.33260	2.1
65.03937	3.4
67.05492	65.4
69.03424	11.2
69.07053	39.9
79.05474	63.2
81.03401	11.4
81.07037	100.0
83.04959	13.7
83.08595	19.1
85.02888	3.1
85.06536	2.6
91.05458	64.6
93.07021	58.9
95.04943	25.7
95.08583	34.9
97.02879	7.1
97.06503	12.2
97.10154	7.5
105.07007	51.5
107.04945	18.3
107.08577	48.8
109.06488	19.9
109.10133	28.6
111.08049	7.5
115.05446	1.9
117.06999	19.4
119.08551	36.8
121.06473	10.2
121.10088	16.7
123.08048	9.2
123.11689	6.9
125.09599	7.1
128.06268	2.5
129.06992	9.2
131.08528	22.7
133.06468	6.9
133.10110	43.3
135.08032	9.9
135.11674	8.2
137.09593	3.2
141.06987	2.1
143.08553	7.5
145.06433	2.9
145.10092	17.8
147.08055	10.0
147.11632	13.8
149.09579	12.1
149.13234	7.9
151.11172	12.8
155.08563	2.1
157.10109	10.2
159.07991	2.8
159.11655	13.3
161.09641	3.3
161.13240	3.4
163.11147	10.0
171.11678	2.3
173.13211	3.7
175.11208	3.5
177.12782	2.6
185.13225	1.9
223.13251	10.8
239.17934	2.6
245.19139	2.1
247.20782	1.9
247.38231	1.9
248.82710	1.7
253.14267	24.8
257.19028	7.3
269.17377	2.9
273.18396	15.4
275.20065	23.3
279.39590	2.0
291.19461	59.0
293.21255	2.4
347.22247	2.7
349.23633	20.5
365.23126	36.8
367.24533	15.7
541.35004	3.3
545.34381	3.5
559.36548	14.5
568.77551	2.3
621.40784	3.3
639.42316	37.0
657.43542	34.4
854.44653	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	854.525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02903	1.3
63.92553	1.1
64.33396	1.2
65.03920	1.8
67.05489	75.3
69.03417	17.1
69.07051	51.0
69.70298	1.1
71.04974	5.7
73.02908	1.5
79.05469	62.0
81.03389	15.9
81.07034	87.5
83.04954	16.1
83.08591	17.3
85.02873	2.7
85.06517	2.7
91.05455	63.3
91.82707	1.2
92.08582	1.4
93.07017	65.7
95.04937	18.1
95.08582	35.0
97.02886	10.6
97.06517	13.5
97.10151	18.1
99.04402	2.0
105.04535	1.6
105.07003	44.8
107.04934	16.8
107.08561	41.6
109.02872	1.5
109.06509	10.1
109.10133	22.8
111.04414	1.3
111.08084	4.8
115.05451	4.2
117.06996	24.1
117.41325	1.3
119.04935	1.6
119.08549	28.3
120.05740	1.8
121.06463	10.4
121.10117	18.0
123.08041	5.8
123.11692	3.0
124.28952	1.2
125.09592	12.1
128.06184	2.6
129.06998	9.8
130.07785	2.0
131.08534	24.2
133.06451	7.7
133.10103	27.8
135.08022	7.3
135.11635	12.3
137.09601	2.9
141.06989	2.4
143.08522	9.2
145.06453	2.9
145.10094	16.0
147.08023	9.4
147.11653	9.6
149.09631	12.1
149.13252	7.1
151.11180	7.3
155.08516	1.4
157.06403	1.4
157.10104	7.6
159.07964	2.5
159.11594	9.7
161.09608	5.0
163.11159	7.9
165.09018	1.9
169.10078	2.3
171.11629	2.2
173.13191	2.6
177.12666	1.7
179.14304	1.6
183.11581	1.5
185.13206	1.3
189.11208	2.8
195.13852	3.0
223.13242	20.7
227.12698	6.8
230.30783	1.3
245.18971	2.2
249.14810	5.9
253.14296	12.1
255.15848	2.7
257.19049	5.3
267.16113	1.6
269.17307	17.8
273.18445	16.5
275.20071	12.9
291.19464	100.0
309.20825	1.5
314.97226	1.3
347.22137	2.5
349.23688	13.5
365.23102	41.8
418.22443	1.4
484.01501	1.2
503.99063	1.5
532.99780	1.5
541.34601	2.6
545.34564	17.7
559.36182	67.7
621.40955	2.1
629.87231	1.4
639.42041	20.5
657.43060	5.5
854.44427	7.2
855.43634	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.5251
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97535	1.8
64.33385	1.7
65.03923	3.6
67.05494	87.4
69.03405	9.8
69.07053	32.3
71.04978	8.0
72.83208	1.7
78.39598	1.8
79.05476	79.0
81.03410	13.8
81.07043	100.0
83.04972	20.3
83.08608	15.9
85.02912	2.2
85.06518	7.9
89.06025	2.4
90.11890	1.7
91.05460	81.0
91.06005	3.8
93.07021	66.1
95.04944	28.3
95.08586	41.3
96.41886	1.9
97.02874	3.9
97.06508	15.8
97.10165	3.6
99.04455	2.4
103.05405	2.2
105.07013	76.6
107.04941	23.8
107.08576	52.9
109.06530	12.8
109.10146	50.7
111.08055	4.1
117.06984	19.9
119.08550	31.2
119.79746	1.7
121.06449	13.6
121.10130	17.2
123.08066	7.6
123.11696	7.8
125.09622	7.5
127.07534	2.1
129.06963	7.2
131.08533	32.6
133.06470	3.4
133.10110	71.9
135.08070	13.8
135.11696	14.4
137.09598	3.7
137.16566	1.9
141.06998	2.2
142.07748	2.0
143.08563	10.1
145.10091	13.7
147.08040	3.9
147.11684	13.5
149.09593	14.8
149.13239	8.7
151.11157	22.4
155.08548	2.3
157.10130	7.0
159.08038	2.9
159.11678	12.2
161.09566	3.9
161.13260	4.1
163.11151	7.6
169.12212	2.8
171.11647	2.6
173.13290	3.8
175.11192	3.3
177.12671	2.1
223.13351	3.4
239.17943	2.0
253.14294	57.3
257.18942	6.9
269.17407	9.0
273.18484	14.9
275.20004	21.0
285.93332	1.9
291.19620	25.8
347.22159	7.3
349.23691	15.1
365.23218	28.5
370.10797	2.4
447.27042	2.2
465.28265	7.8
527.33624	3.4
541.34888	4.1
545.35016	14.1
559.36139	34.6
639.42572	25.1
657.43719	13.4
861.17432	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	854.525
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	2.1
65.03916	2.3
67.05489	64.1
69.03419	14.5
69.07052	51.9
71.01351	0.9
71.04970	6.5
71.08614	1.0
77.03875	1.0
79.05471	66.6
81.03398	12.8
81.07037	81.8
81.83627	0.9
83.04960	14.2
83.08605	19.2
85.02872	4.1
85.06510	1.4
91.05463	51.4
93.07021	56.9
95.04945	23.8
95.08582	26.9
97.02863	14.1
97.06514	12.2
97.10144	19.6
99.04436	1.1
101.12770	0.9
103.05424	1.0
104.42303	0.9
105.04539	1.0
105.07011	42.2
107.04945	21.4
107.08575	35.8
109.02859	1.5
109.06499	11.9
109.10136	16.6
111.04427	2.2
111.08058	4.1
115.05457	1.7
117.06228	1.5
117.06993	21.7
119.04923	2.1
119.07717	1.2
119.08556	31.0
121.06489	9.5
121.10125	12.9
123.08041	6.3
123.11688	1.9
125.09585	15.4
127.03908	2.1
128.06158	1.3
129.06985	10.2
130.07707	1.5
131.08540	23.5
133.06470	6.3
133.10097	22.4
135.07997	8.4
135.11678	11.7
137.09537	5.4
141.06920	2.4
142.07765	2.0
143.08508	6.7
145.06473	2.3
145.10101	16.5
147.08018	8.6
147.11674	10.1
149.09592	11.3
149.13239	6.6
151.11136	5.2
153.09119	1.4
155.08510	2.4
157.10059	6.5
159.08015	1.1
159.11652	11.9
161.09566	4.9
161.13205	2.3
162.10278	1.0
163.11128	7.1
165.09033	1.6
169.10020	1.6
171.11661	1.2
173.09566	1.8
173.13243	4.1
174.45395	1.0
175.11172	2.4
175.14812	1.1
177.12723	5.8
179.14310	1.4
181.10208	1.0
183.11598	1.4
185.13205	1.8
187.11111	2.2
189.11191	5.2
195.11931	0.9
195.13753	2.1
197.13255	1.8
205.12184	1.9
223.13235	20.1
227.12727	8.0
229.19572	1.0
239.17903	1.1
245.18939	1.2
249.14813	5.7
253.14156	2.1
255.15871	5.1
257.18906	2.4
267.15930	1.3
269.17401	12.3
273.18469	11.6
275.20038	15.3
291.19485	100.0
292.19751	1.0
347.22015	2.0
349.23718	14.2
365.23135	40.2
367.24640	4.2
541.35004	3.6
545.34808	16.5
559.36182	46.0
621.40607	3.9
639.42444	26.2
656.41394	1.9
657.42993	9.4
816.38361	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4368
Annotation	Unknow
Peak:m/z	Relative Intensity
60.77017	1.8
61.02908	22.7
63.77270	1.8
65.03919	3.5
67.05487	100.0
68.44531	1.6
69.03404	9.3
69.07061	19.9
71.04970	9.7
73.02897	4.1
79.05467	52.7
81.03386	17.6
81.07037	80.0
83.04958	12.2
83.08595	24.6
85.02885	25.8
85.06514	4.5
86.77264	1.6
87.04451	2.1
91.03924	9.1
91.05457	43.9
93.07021	46.6
95.04961	13.3
95.08588	18.3
97.02862	14.4
97.06514	9.9
97.10149	10.9
105.07023	17.9
107.04940	10.2
107.08572	30.9
109.06490	3.9
109.10132	46.6
111.08067	4.6
116.04703	2.7
117.07017	7.0
119.08562	13.9
121.06455	2.7
121.10112	11.2
121.30666	1.9
123.11700	2.4
125.09608	9.5
127.03904	2.3
127.75027	1.9
129.05421	7.4
131.08562	4.4
133.10138	13.9
135.11658	11.1
137.09604	3.0
143.08527	3.6
145.10164	7.4
147.11653	3.3
149.09570	2.1
149.13252	9.8
153.12714	3.5
159.11653	7.9
163.11090	4.2
173.11739	9.8
177.12825	1.9
187.59044	1.8
189.60435	1.9
195.13803	12.4
195.78645	1.7
195.81813	2.6
199.13213	2.5
211.13153	2.3
214.52516	2.0
227.12720	2.0
229.14279	26.4
234.52467	2.0
257.13846	4.4
267.15854	3.9
269.17407	37.7
283.15347	2.5
301.16330	8.1
393.26086	2.3
396.70523	1.8
411.27197	3.6
423.27359	34.2
495.29370	68.5
513.30157	17.9
606.11157	2.1
845.79639	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	854.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	23.5
67.05486	100.0
69.03400	4.2
69.07044	20.4
71.01347	2.3
71.04967	4.5
72.40508	2.2
73.02889	10.3
79.05468	40.7
81.03390	14.8
81.07031	77.3
83.04943	14.2
83.08581	17.9
85.02886	38.1
85.06524	4.1
91.03915	12.3
91.05453	30.6
93.07015	50.0
95.04931	10.9
95.08583	24.1
97.02856	12.7
97.06487	13.5
97.10139	16.5
105.06997	19.1
106.48412	1.9
107.04930	3.9
107.08569	31.5
109.06467	4.5
109.09400	2.3
109.10135	63.2
111.08028	4.8
117.06987	9.8
119.08552	11.9
121.06507	2.7
121.10105	13.7
123.08017	2.3
123.11622	2.9
125.09606	12.1
129.05431	9.0
131.08521	11.1
133.10088	12.5
135.11627	8.9
137.09543	3.7
143.08455	2.4
145.10139	5.0
147.11641	3.3
149.13249	4.5
151.11107	2.4
155.10547	2.3
159.11676	5.2
163.11105	4.0
173.11684	16.4
193.12288	2.9
193.22978	2.2
195.13727	3.0
199.13359	2.6
209.11734	2.1
227.12773	4.5
229.14270	29.2
258.93762	2.2
267.15759	4.7
269.17328	36.1
283.15210	4.9
301.16385	11.8
411.27017	4.1
423.27255	30.3
431.27374	2.6
495.29404	77.5
513.30438	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.437
Annotation	Unknow
Peak:m/z	Relative Intensity
59.91195	0.7
61.02909	24.0
65.03914	1.6
67.05488	89.8
67.82279	0.8
69.03410	11.5
69.07050	27.4
69.07409	1.8
69.26251	0.8
69.41303	0.7
69.62695	0.8
70.04166	1.1
71.01325	1.5
71.04964	7.3
73.02901	15.3
79.05471	66.8
80.21675	0.8
81.03401	23.1
81.07033	100.0
82.04176	4.4
82.96373	0.9
83.01320	1.1
83.04965	23.2
83.08598	32.2
84.05742	0.9
85.02887	26.3
85.06529	6.3
91.03928	15.1
91.05456	47.7
93.07017	69.9
95.04942	24.3
95.08576	28.1
96.05712	1.0
97.02865	17.6
97.06503	19.5
97.10139	21.9
98.07284	7.0
98.70366	0.9
99.04433	4.7
99.08056	1.7
101.05972	1.6
103.03953	0.9
105.04517	1.3
105.07012	22.1
107.04924	8.1
107.08575	47.4
109.02840	2.1
109.06466	7.6
109.10135	19.6
110.07261	0.9
111.04424	1.7
111.08043	11.7
115.03851	1.2
115.05437	1.0
116.04684	20.7
117.06992	15.7
119.08532	13.2
120.09400	0.9
121.06483	5.0
121.10112	20.0
123.08058	9.1
123.11671	5.3
125.09598	20.7
127.03875	4.6
127.07573	0.9
127.11217	3.3
129.05444	57.6
129.06996	4.3
130.07780	1.4
131.08553	18.2
133.06425	1.3
133.10101	26.1
135.08029	7.5
135.11661	14.6
137.09566	4.3
142.07788	1.6
142.58585	0.9
143.07013	12.6
143.08488	1.1
145.04912	3.7
145.10100	5.9
147.08026	3.9
147.11653	6.5
149.09595	4.4
149.13228	22.9
149.14336	1.6
151.11212	1.6
153.09064	1.3
155.08496	1.2
157.08571	26.5
157.10046	5.5
158.05675	1.5
159.11639	13.4
163.06023	3.5
163.11179	6.1
165.12726	1.6
171.06494	5.8
171.10124	8.4
173.09503	1.1
173.11732	2.2
175.11194	4.3
177.12708	6.2
181.12189	1.6
185.08072	1.7
185.11732	1.9
189.11154	10.6
189.12607	1.1
191.10632	1.4
193.12206	8.0
195.13756	21.4
199.13260	16.3
200.14021	2.1
209.11719	6.9
211.13237	6.4
213.14725	1.5
223.13512	1.0
227.12691	13.2
229.14264	3.2
255.15897	5.9
267.15845	8.2
269.17410	66.5
283.15317	13.5
285.16992	1.4
301.16385	55.2
323.18396	5.4
323.22070	1.6
351.21600	1.5
365.22894	1.4
393.26288	7.8
411.27316	16.5
423.27338	49.8
423.33112	1.9
461.28699	5.8
477.28302	23.7
478.29034	3.8
495.29385	99.4
496.29846	1.4
639.33606	3.3
762.37482	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	854.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	11.6
65.03909	1.5
67.05484	28.8
69.03407	8.3
69.07047	9.4
71.01324	0.3
71.04600	0.3
71.04969	6.8
73.02893	4.6
73.06518	0.3
74.25370	0.2
76.56544	0.2
79.05466	34.1
80.05798	0.2
81.03391	100.0
81.07027	37.4
82.03703	0.2
83.04956	24.1
83.08593	34.3
85.02879	50.7
85.06515	3.0
87.04441	1.1
91.03927	7.4
91.05449	44.7
92.50431	0.2
93.07012	23.6
95.04936	41.0
95.08570	14.5
95.09188	0.4
96.08865	0.3
97.02858	11.7
97.06494	6.1
97.10137	6.7
99.04405	1.2
99.08064	2.3
101.02374	0.2
103.03912	0.4
103.05433	0.4
105.07001	34.4
107.04926	11.3
107.08563	11.9
109.02872	1.0
109.06491	8.3
109.10135	4.3
111.04420	4.5
111.08048	15.1
113.05969	4.2
115.03846	0.3
115.05404	2.8
116.06186	0.2
117.07000	2.8
119.04901	0.9
119.08546	30.8
121.06463	2.8
121.10107	15.1
123.04478	0.3
123.08018	4.3
123.11679	2.5
125.05987	0.4
125.09592	2.6
127.03874	1.9
127.07513	0.9
128.06187	0.4
129.06963	19.9
131.08524	18.9
133.06445	5.2
133.10094	18.2
135.08020	0.5
135.11647	0.5
137.05920	0.4
137.09578	3.0
137.13200	0.3
141.06964	0.2
142.07767	5.0
145.04918	1.4
145.06425	1.1
145.10085	2.7
147.08023	4.9
147.11650	24.1
149.09581	9.1
151.11154	1.2
155.08499	1.2
157.10091	24.1
163.06006	1.5
163.11148	2.1
165.12712	5.1
175.11134	25.2
183.13892	0.2
185.13162	0.2
189.11104	0.3
193.12190	64.3
194.12579	0.4
211.13234	64.1
212.13602	0.4
215.14354	0.3
223.54016	0.2
227.12666	0.3
229.14308	0.3
249.14828	0.5
254.33675	0.2
267.15829	35.7
268.16110	0.3
273.14667	0.9
285.16876	62.6
286.17258	0.4
306.01157	0.2
349.21332	0.9
367.22659	1.7
385.23636	3.9
403.24582	1.3
429.21152	0.4
433.25830	2.3
441.25949	1.6
459.27286	29.4
460.27646	1.0
477.28342	31.4
478.28552	0.9
495.29376	77.3
496.29572	1.5
621.32086	0.8
639.33575	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	854.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	23.8
61.38272	0.8
65.03931	1.1
67.05490	95.3
69.03407	12.8
69.07054	31.3
71.01326	1.5
71.04961	6.9
73.02896	10.4
79.05469	62.3
81.03394	26.3
81.07034	100.0
82.04165	4.0
83.01373	1.0
83.04961	21.3
83.08599	24.4
85.02884	29.7
85.06518	5.5
87.04456	0.9
88.82113	0.9
91.03918	11.8
91.04408	0.9
91.05454	41.9
93.07018	68.3
95.04947	21.5
95.08582	29.7
95.21188	0.9
97.02859	17.8
97.06503	14.1
97.10147	22.3
98.07288	5.8
99.04417	1.9
99.08064	1.9
105.07002	22.7
107.04941	9.3
107.08575	41.2
109.02862	1.5
109.06508	6.4
109.10133	20.5
110.27081	1.1
111.04395	1.8
111.08051	10.2
115.03921	1.3
116.04647	7.1
117.06976	14.5
119.08542	14.8
121.06484	4.2
121.10104	20.2
123.08054	7.1
123.11694	5.9
125.09597	16.8
127.03893	5.7
127.11131	1.8
129.05460	19.4
129.07005	6.5
131.08537	13.7
133.06496	1.2
133.10092	20.6
135.08025	5.7
135.11642	13.8
137.09645	2.4
139.07559	1.0
139.11145	1.2
143.07011	3.9
143.08513	1.7
143.10666	1.2
145.04895	2.1
145.06465	1.3
145.10120	7.6
147.07957	1.4
147.11674	9.1
149.09634	5.1
149.13232	21.9
151.11211	1.8
153.09090	1.1
157.08592	9.3
157.10133	4.4
159.11673	12.3
163.05948	1.5
163.11130	5.7
165.12674	1.6
171.06508	1.6
171.10124	3.8
173.11720	2.3
175.11139	4.1
177.12743	5.9
181.12144	1.1
183.11638	1.1
189.11220	4.2
191.10667	1.8
193.12177	5.9
195.13754	13.6
199.13277	12.6
209.11684	7.1
211.13274	5.4
213.14828	1.6
217.14383	1.3
227.12747	6.2
229.14331	1.9
242.73599	0.9
255.15804	1.4
267.15952	8.0
269.17404	52.6
269.87897	0.9
283.15305	15.9
285.16946	1.8
301.16376	27.6
316.52338	1.2
323.18591	2.3
365.26855	1.5
393.26224	7.0
411.27283	18.2
413.21463	1.6
423.27319	52.5
423.32999	1.9
437.78625	1.0
449.28662	3.9
459.27264	1.7
461.28894	4.1
477.28333	23.4
495.29431	68.2
495.36743	2.4
496.29489	1.4
621.31934	2.1
639.33337	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	854.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	16.4
67.05492	51.0
69.03411	7.6
69.07051	17.3
71.04986	7.8
73.02899	8.0
79.05470	35.5
81.03396	61.5
81.07039	95.1
83.04956	21.5
83.08598	29.7
85.02893	33.4
85.06546	4.1
91.03945	3.7
91.05460	38.9
93.07023	34.0
95.04932	24.0
95.08577	21.6
97.02881	10.5
97.06520	10.0
97.10144	3.5
105.04509	1.9
105.07014	48.3
107.04930	8.5
107.08598	18.1
109.06511	7.9
109.10133	8.0
111.08047	3.9
117.07033	2.7
119.08559	41.3
121.06493	3.4
121.10122	21.2
123.08066	4.3
123.11686	27.7
127.03944	2.6
127.07571	1.8
129.06972	11.9
131.08524	14.6
133.10101	11.7
135.11661	3.7
137.13237	2.5
142.07767	2.2
145.06393	2.4
145.10083	3.7
147.08022	3.2
147.11664	67.5
149.09616	8.6
156.64806	1.9
157.10118	11.4
159.11697	2.7
165.12737	23.3
175.11211	13.3
183.13811	2.3
193.12225	45.8
210.34430	2.2
211.13239	42.9
229.14308	2.1
267.15848	77.2
285.16895	86.9
293.77737	2.3
423.27911	2.6
459.27499	3.6
477.28439	32.3
493.27045	2.4
494.28687	2.6
495.29419	100.0
530.75391	2.0
534.47369	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	853.4549
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02913	9.6
61.23141	1.2
67.05501	10.9
69.03420	5.5
69.07053	2.3
71.01347	1.3
73.02898	5.6
74.33104	1.0
79.05483	8.6
81.03396	4.4
81.07028	13.7
83.04977	1.8
83.08625	1.7
85.02873	10.4
85.29086	1.1
87.00248	1.2
87.04449	1.3
91.03944	4.9
91.05469	5.5
93.07040	5.6
95.04993	3.9
95.08595	5.2
97.02866	9.8
99.04461	1.3
101.02398	1.8
104.54543	1.0
105.07030	4.4
107.08570	1.6
109.06518	2.6
109.10157	6.2
116.80995	1.3
119.08594	1.7
121.06477	1.5
127.03905	1.5
131.08603	1.9
135.11757	1.6
149.09665	1.4
156.02930	1.1
187.66566	1.1
232.49178	1.1
243.08492	1.8
251.04208	1.0
273.18445	1.5
291.19391	2.1
347.09387	4.3
347.22437	1.4
405.13776	5.3
413.17960	5.8
436.73077	1.2
519.29321	8.7
568.40283	1.4
575.23328	4.7
618.22833	1.3
638.42004	1.4
681.34418	8.3
750.71899	1.3
853.45367	100.0
854.46204	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	852.5306
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	14.5
63.16101	0.7
67.05144	1.7
67.05492	43.4
67.05852	1.6
69.03414	1.4
69.07056	17.6
70.57966	0.8
71.01333	4.0
71.04980	4.0
71.08617	19.4
71.60877	0.6
73.02898	5.4
79.05476	37.2
81.03397	4.8
81.07036	27.1
83.04971	9.4
83.08601	12.3
85.02884	14.0
85.06522	3.2
85.10178	13.4
89.06006	1.1
91.03926	5.5
91.05459	15.6
92.08664	2.4
93.07021	45.1
95.04944	4.9
95.08584	24.0
97.02854	6.2
97.06496	10.7
97.10139	15.5
99.04440	1.0
99.08075	1.0
105.07016	1.8
106.71056	0.7
107.04935	1.2
107.08572	30.0
109.06506	0.9
109.10139	13.2
111.08044	0.9
111.11716	1.5
117.07011	3.3
119.08545	8.4
121.06499	1.0
121.10113	6.1
123.11684	3.0
127.03907	1.2
133.10112	4.2
135.11668	58.6
137.09639	1.1
145.05005	0.9
145.10115	10.2
153.12714	1.0
154.98956	0.7
163.05984	1.9
163.11136	7.3
169.79472	0.8
178.18182	0.7
181.12202	9.5
199.13301	1.2
239.23720	1.9
245.45607	0.9
255.15860	96.2
256.16226	0.9
257.24545	1.4
313.27301	52.5
367.34634	0.8
373.76987	0.8
493.38779	100.0
494.38843	3.6
513.56396	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.5102
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	65.1
69.03420	14.4
69.07059	39.0
71.04971	3.0
71.40730	1.8
73.04247	1.8
79.05474	54.7
81.03404	12.9
81.06600	3.0
81.07040	67.1
83.04955	12.3
83.08595	9.3
85.06543	3.4
91.05458	69.5
93.07021	44.0
95.04971	19.6
95.08601	24.3
97.02862	9.1
97.06500	8.3
97.10136	9.8
105.07006	55.2
106.55293	2.0
107.04976	17.4
107.08583	48.2
107.83155	2.0
109.06494	4.8
109.10133	49.6
111.08054	2.6
111.72519	1.9
114.36366	2.0
115.04585	2.3
115.05418	2.6
117.06976	17.5
119.08564	23.5
121.06461	13.0
121.10132	9.8
123.08047	2.9
123.11682	4.5
125.09563	3.1
128.84253	2.8
129.06975	8.1
131.08525	17.0
133.06448	10.9
133.10114	49.5
135.08009	9.1
135.11644	8.1
139.03799	2.9
143.08543	3.4
144.22972	2.1
145.06429	2.3
145.10112	13.0
147.08005	9.6
147.11667	4.3
149.09619	4.0
151.11145	19.6
157.10117	9.8
159.11615	3.7
161.09625	10.4
163.11177	3.3
175.11104	5.1
223.13268	17.3
227.12738	4.5
233.74110	2.2
245.18893	2.6
249.14902	3.8
253.11835	3.8
253.14293	64.8
273.18405	31.8
288.97195	2.5
291.19482	100.0
347.21817	8.5
365.23123	39.8
375.68570	2.4
408.43320	2.4
454.59479	2.0
543.33154	3.1
561.33826	24.9
637.40674	11.1
655.42126	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	852.4942
Annotation	Unknow
Peak:m/z	Relative Intensity
64.10728	2.7
65.03942	2.8
65.95879	2.3
67.05495	70.6
69.03406	20.1
69.06728	3.2
69.07041	21.1
71.04984	18.7
79.05472	63.4
80.14965	2.6
81.03400	100.0
81.07040	56.0
83.04964	27.7
83.08611	25.8
85.02893	35.2
87.04474	4.1
87.12322	2.6
91.05460	74.7
93.07027	46.0
95.04941	49.3
95.08597	27.1
97.02888	16.9
97.06516	17.6
97.10196	12.8
98.03616	4.0
99.04443	5.1
99.08112	3.2
105.07014	51.3
107.04935	30.1
107.08563	23.3
107.67462	2.7
109.02859	5.6
109.06529	11.8
109.10118	31.5
111.04436	10.9
111.08085	6.0
117.07020	12.3
119.08552	40.9
121.06495	5.9
121.10138	15.9
123.04445	4.4
123.08067	4.1
125.09608	11.5
127.03870	3.5
129.07027	11.3
131.07735	3.0
131.08577	25.5
133.06514	5.5
133.10129	22.5
135.11713	6.6
142.07793	4.6
145.10143	14.0
147.07968	5.8
147.11697	13.4
149.09669	5.4
153.09152	3.3
157.10120	19.1
163.11174	14.2
165.12747	3.7
173.04442	5.6
174.06691	3.0
175.11136	17.7
193.12239	42.4
209.11798	6.3
211.13278	31.9
219.20270	3.4
227.12703	6.9
228.87305	3.0
229.14333	11.3
267.15997	24.8
283.15149	7.0
285.16931	18.9
384.80341	2.9
421.25708	17.1
439.26822	32.2
493.27737	14.7
511.28293	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	852.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
64.65704	3.2
65.03903	5.3
67.05493	74.8
69.03418	25.1
69.07040	23.6
71.04976	8.6
73.02869	3.5
79.05476	83.0
81.03406	64.5
81.06596	4.7
81.07044	100.0
83.04979	36.8
83.08614	33.8
85.02892	16.3
85.31950	3.6
91.05463	61.1
92.09351	8.1
93.07025	52.3
95.04936	36.0
95.08609	32.0
97.02866	16.9
97.06490	20.7
97.10146	43.5
98.03656	5.8
99.04435	4.4
105.07014	50.2
107.04955	28.3
107.08559	39.9
109.02874	5.4
109.06464	15.7
109.10123	29.9
111.04419	20.1
111.08066	18.1
115.05431	4.2
116.04687	4.6
117.06977	16.6
119.08573	40.1
121.06467	7.7
121.10143	25.4
123.04370	4.6
123.08019	25.6
123.11667	3.5
125.09615	33.7
127.03904	7.2
128.06174	3.6
129.05428	16.2
129.06972	16.4
131.04991	3.9
131.08539	21.2
133.06477	5.3
133.10094	17.5
135.08047	16.6
135.11635	16.8
137.09599	5.9
139.07448	4.8
143.08562	6.6
145.06409	4.2
145.10138	24.4
145.40935	3.9
147.08031	16.8
147.11662	8.4
149.09598	14.1
149.13306	4.1
153.09064	5.9
153.12730	6.8
154.66019	4.0
157.10130	13.3
159.08102	5.2
161.09589	8.4
163.11119	22.8
173.04381	5.0
173.09544	4.4
173.11749	4.3
175.11092	6.4
181.12210	6.2
189.11215	17.3
191.10645	4.1
193.12202	18.7
209.11612	5.1
211.13239	8.9
211.68933	3.9
227.12733	25.1
227.93954	4.1
229.14180	7.0
267.15848	16.7
273.18393	14.9
283.15320	4.5
285.17075	4.5
291.19443	39.7
301.16672	12.0
365.23251	15.7
383.24005	5.4
411.20306	3.6
445.20425	4.6
489.53537	3.8
519.32770	8.3
557.34192	4.4
573.34546	6.8
591.34784	18.5
609.36682	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	852.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
59.55951	0.4
59.81626	0.4
59.98457	0.4
61.02627	0.6
61.02907	10.1
61.67002	0.4
63.20025	0.4
67.05140	0.8
67.05487	17.1
69.03415	5.2
69.07047	4.7
71.04967	5.0
73.02904	4.0
79.05466	22.4
81.03391	45.5
81.07031	22.8
83.01311	6.3
83.04960	16.5
83.08594	18.8
85.02880	26.0
85.06526	0.9
91.03916	5.9
91.04879	0.9
91.05452	22.4
93.07014	22.2
95.04935	19.6
95.08581	9.2
97.02859	9.4
97.06505	4.9
97.10141	3.5
99.04418	2.2
99.08064	0.7
105.07004	17.5
107.04926	10.2
107.08562	9.8
109.02808	0.6
109.06496	7.8
109.10133	2.7
109.81696	0.4
111.04415	4.1
111.08068	6.6
113.05984	2.1
115.05405	0.6
117.06947	5.3
118.58088	0.4
119.08546	15.5
121.06472	2.4
121.10107	8.8
123.08031	7.0
123.11645	0.7
125.05957	0.8
125.09615	1.1
127.03892	2.5
129.06961	7.8
130.07748	0.5
131.08533	8.0
133.06459	2.6
133.10095	8.2
135.08069	1.6
135.11676	6.3
137.09589	2.0
142.07715	0.6
145.04924	0.9
145.06502	0.9
145.10075	10.5
147.07973	3.3
147.11652	9.0
149.09601	4.6
153.12753	0.9
155.08517	0.7
157.10101	8.4
163.05986	2.0
163.11137	13.8
165.12619	1.3
173.09592	2.5
175.11128	10.1
181.12212	1.8
191.10664	0.9
193.12186	25.3
193.13948	0.9
209.11707	3.2
211.13239	27.2
227.12683	0.7
237.00266	0.5
267.15775	6.3
283.15320	29.4
285.16876	21.6
383.22211	1.1
457.25940	3.4
475.26727	17.6
493.27841	100.0
494.28183	4.4
590.83862	0.5
637.31256	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	8.1
65.03924	2.1
67.05144	2.4
67.05492	59.1
69.03413	5.2
69.07056	14.4
71.04964	5.4
73.02876	2.8
76.01471	1.0
79.05474	84.5
81.03402	61.6
81.07037	66.0
83.04962	28.5
83.08598	21.0
85.02896	28.2
85.06534	6.2
87.04454	1.2
91.03925	5.3
91.05460	82.7
93.07024	81.9
95.04943	40.0
95.05518	2.1
95.08576	29.0
97.02855	9.3
97.06502	7.0
97.10134	6.0
100.53378	1.1
105.04502	1.8
105.07015	59.3
107.04947	11.7
107.08583	19.6
109.06506	12.0
109.10123	7.2
111.04414	2.0
111.08071	8.7
115.05449	2.0
117.06995	9.0
119.08559	45.5
121.06520	2.6
121.10119	11.5
123.08042	8.9
125.09657	1.4
127.07584	1.4
128.06186	5.0
129.06976	29.6
131.08536	15.6
133.06459	4.3
133.10117	21.1
135.11600	1.5
137.09682	1.7
142.07776	2.0
143.08565	9.7
145.10112	9.9
147.08046	6.1
147.10461	1.5
147.11661	48.2
149.09596	6.0
156.09392	1.3
156.47588	1.2
157.10118	13.8
161.09610	5.2
161.13194	10.4
163.11168	1.3
164.73825	1.2
165.12698	1.6
170.37279	1.1
171.11652	24.2
175.11140	12.3
189.12747	9.9
193.12224	29.8
199.02179	1.1
207.13794	16.2
211.13239	17.4
267.15796	26.9
281.17413	73.9
281.20529	2.4
285.16959	20.3
473.28915	100.0
480.53247	1.2
491.29999	91.8
492.29562	2.1
635.33862	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03650	0.9
65.03899	6.3
65.66576	0.8
67.05511	1.5
69.07076	1.2
70.06575	22.8
70.06952	1.0
71.08636	4.0
79.05479	2.1
81.07043	1.2
85.38741	0.8
88.07608	26.4
88.18476	0.8
91.05500	1.1
95.04947	1.3
95.08614	1.0
102.09148	19.8
102.09706	1.0
105.06974	1.0
107.08599	1.1
119.08603	1.4
121.02827	1.6
121.06606	0.9
139.03949	4.2
147.04445	1.3
149.02318	100.0
149.03313	8.0
153.01907	1.0
175.03963	1.6
177.05534	1.3
182.22374	0.9
191.07089	1.4
193.04921	51.4
212.23753	1.5
219.06544	3.7
220.63994	0.9
223.76854	0.9
237.07521	8.9
256.26270	58.0
292.35339	1.2
297.04050	1.5
304.24063	1.3
305.96722	0.9
313.07086	1.3
318.22580	1.2
329.12103	0.9
341.06601	2.0
343.08038	1.6
359.07816	1.4
385.08810	6.4
429.12296	1.4
537.58142	0.9
577.13177	10.3
621.16040	7.8
634.74316	1.2
850.39862	93.8
851.40869	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	850.4057
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04986	2.2
61.02918	7.8
67.05489	10.0
69.03419	2.2
69.07063	4.3
71.04985	1.8
73.02881	1.4
79.05479	18.3
81.03390	11.8
81.07036	16.4
83.01322	11.3
83.04963	13.4
83.08600	12.2
85.02884	14.7
85.06559	1.3
87.04479	0.9
91.03917	5.3
91.05460	13.9
93.06479	1.8
93.07020	25.0
95.04937	8.5
95.08584	9.4
97.02873	9.6
97.06509	6.1
97.10091	1.1
99.04447	3.5
105.07008	10.9
107.04917	8.9
107.08566	15.4
109.02892	0.9
109.06505	8.6
109.10129	2.1
111.04419	2.1
117.06987	9.6
119.08566	8.9
121.06448	2.0
121.10145	9.5
123.08024	7.9
125.05931	1.2
125.09624	1.0
127.03869	1.8
129.06996	1.6
130.07774	1.7
131.08557	4.5
133.10083	2.0
135.08006	1.2
135.11670	12.4
137.09572	1.4
138.85063	0.8
145.04962	1.4
145.06464	0.8
145.10106	16.4
147.08011	1.3
147.60109	0.8
153.12668	3.8
155.08388	0.9
163.05954	1.0
163.11143	27.3
173.09601	2.2
181.12219	2.2
191.10713	1.8
209.11772	5.9
227.12865	1.1
239.80817	1.0
283.15341	100.0
308.13199	0.9
415.96124	1.1
491.26300	61.0
492.26627	1.4
544.46558	1.0
860.57336	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	847.5056
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05494	19.7
67.80764	3.5
69.03412	18.0
69.07046	9.0
71.04964	4.8
71.08615	25.3
79.05473	17.9
81.03390	62.6
81.07045	33.3
83.04946	20.5
83.08596	22.6
85.02900	15.9
85.10172	15.2
91.05450	17.8
93.07011	15.2
95.04935	9.3
95.08582	29.2
97.02855	9.5
97.06509	4.8
98.70176	4.0
105.07009	14.6
109.02815	4.8
109.10152	6.1
111.04431	4.6
111.08051	4.3
121.10123	5.6
123.08011	3.7
123.11686	4.0
124.99934	3.8
127.03909	3.9
129.07014	4.9
131.08501	7.4
133.10063	4.5
147.11647	5.8
157.10164	5.9
159.90979	3.7
193.12279	28.5
209.20824	4.5
209.22757	4.7
211.13216	30.5
257.39926	4.1
267.15863	5.8
313.27301	38.4
334.45178	3.9
419.32510	3.7
429.20840	8.2
505.38794	7.0
523.39844	100.0
582.09515	4.2
667.43860	14.7
847.51306	56.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	846.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02908	2.6
64.33802	0.7
64.58506	0.6
67.05494	30.9
69.07050	7.5
69.81670	0.6
71.04996	0.8
73.02882	0.6
73.06543	1.0
79.05476	48.4
81.03392	7.9
81.07042	29.9
81.07523	0.9
83.04974	8.4
83.08598	5.2
85.02901	4.4
85.06540	2.4
91.03957	1.2
91.04889	1.3
91.05459	36.9
93.07023	45.8
95.04947	15.0
95.08578	14.9
97.02888	1.0
97.06506	3.0
97.10163	0.9
105.04538	0.7
105.07013	30.2
107.04944	5.0
107.08565	11.5
109.06517	4.4
109.10150	3.7
111.08084	0.7
116.88707	0.6
117.06994	6.6
119.08553	18.4
121.06482	2.7
121.10139	1.5
123.08075	3.5
127.03908	0.7
128.06197	1.4
129.06981	16.3
131.08525	1.0
133.06479	0.9
133.10118	7.3
135.11682	1.1
137.05992	0.8
143.08553	7.9
145.10109	9.0
147.08035	3.6
147.11667	26.6
161.09593	3.6
161.13240	9.5
163.11070	1.0
171.11652	17.9
173.53635	0.8
189.12709	5.8
207.13756	10.9
225.14659	1.0
281.17410	29.4
287.05215	0.8
445.46320	0.6
469.29364	1.6
469.42612	0.7
487.30481	100.0
488.30865	1.4
501.66312	0.8
529.31036	0.7
581.23499	0.8
631.34839	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5015
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02918	6.0
66.04980	0.5
67.05490	5.0
69.03431	3.8
69.07063	2.5
69.57999	0.5
71.04983	0.6
73.02901	4.6
79.05482	6.4
81.03402	1.2
81.07048	7.0
83.04982	0.8
83.08600	0.9
85.02894	6.2
85.06515	0.7
85.42062	0.5
86.09711	2.5
87.04455	0.6
91.03951	2.4
91.05468	5.0
92.08658	0.6
93.07015	6.3
95.04990	2.4
95.08605	3.2
97.02882	5.1
99.04430	0.9
101.02374	2.0
105.07006	4.4
107.08600	3.2
109.02906	0.7
109.06521	0.6
109.10155	2.2
109.82559	0.5
117.07008	0.6
119.08620	1.1
121.10149	2.1
125.00031	0.7
127.03927	0.9
131.08598	2.5
133.10149	3.3
135.11737	0.9
141.53954	0.5
145.10153	0.9
146.36102	0.5
147.11761	1.1
161.13315	0.8
164.27951	0.5
184.07390	2.4
185.04242	1.1
243.08401	3.4
246.64282	0.5
301.09018	2.1
333.20502	3.4
355.44348	0.6
370.55063	0.5
389.22910	0.6
439.19775	0.9
453.21127	0.9
469.95874	0.5
535.28656	4.9
551.28070	8.7
582.21155	0.6
591.78070	0.6
623.30640	2.2
844.48438	3.8
845.50031	100.0
846.50366	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	845.5014
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02917	5.1
67.05495	5.4
69.03427	3.4
69.07050	2.3
73.02914	3.2
77.33687	0.4
79.05486	5.2
81.03397	1.0
81.07047	5.7
83.08595	0.5
83.43384	0.5
85.02898	5.1
86.09701	1.8
89.83060	0.5
90.73321	0.4
91.03936	3.5
91.05482	5.0
92.09274	0.5
93.07032	6.4
95.04939	1.0
95.08583	3.7
97.02874	3.7
101.02374	1.0
103.96327	0.5
105.07029	3.8
107.08591	2.9
109.10165	0.5
117.06976	0.7
119.08580	2.5
121.10169	0.9
125.00017	0.6
127.03873	0.6
131.08583	0.9
133.10138	2.8
135.11691	2.0
145.10193	0.6
159.11755	0.6
161.13283	0.5
171.11745	0.5
184.07317	3.6
185.04263	0.6
197.07309	0.4
221.11388	0.5
243.08397	4.6
301.08951	1.0
315.10452	0.7
333.20062	3.0
389.64383	0.5
439.20047	0.7
453.20853	1.0
465.20813	0.5
481.20599	0.6
535.28705	7.4
551.28058	6.8
600.04205	0.6
623.30060	0.7
831.90576	0.5
832.46564	0.6
844.47766	0.5
845.50043	100.0
846.50293	4.2
847.96094	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	845.5012
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02912	4.5
65.87530	0.8
67.05484	4.7
67.29929	0.7
69.03436	2.7
69.07052	1.5
73.02900	3.4
79.05452	5.2
81.03390	1.4
81.07044	6.0
83.04993	0.8
83.08584	1.0
85.02889	5.1
86.09677	6.4
89.63770	0.8
91.03954	2.7
91.05464	5.1
93.07034	6.8
95.04949	3.0
95.08592	3.0
97.02903	4.2
101.02355	1.0
105.07027	5.3
107.08594	4.6
115.84035	0.7
117.06980	1.3
119.08584	3.4
121.10120	1.3
121.50775	0.7
124.99992	4.1
127.03887	1.3
131.08591	1.0
132.21194	0.7
133.10124	3.4
140.67543	0.8
143.08554	1.3
145.10101	1.1
147.11705	1.4
151.78827	0.7
156.41132	0.8
161.13223	1.1
180.71942	0.7
184.07271	13.1
243.08475	4.2
267.85580	0.8
301.08969	1.1
333.20450	4.9
465.20779	4.3
535.28882	7.7
551.27942	6.5
623.30682	0.9
845.49982	100.0
846.50140	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	845.4999
Annotation	Unknow
Peak:m/z	Relative Intensity
59.58217	0.9
60.08144	7.3
61.02914	8.6
63.37899	1.0
67.05494	13.5
69.03419	5.3
69.07062	7.8
71.04969	1.5
71.07349	4.5
73.02908	4.9
76.78512	1.1
79.05483	14.7
80.05795	1.2
81.03413	2.1
81.07037	21.4
83.04967	1.3
83.08613	2.1
85.02901	5.2
86.09686	44.5
86.10184	2.0
87.10020	4.4
91.03960	2.4
91.05453	12.8
92.04232	1.2
92.05822	1.2
93.07019	16.7
95.04962	5.2
95.08579	10.9
95.89565	1.1
97.02908	8.4
97.06520	1.6
98.98449	4.9
99.04461	1.1
99.85165	1.2
101.02392	2.0
104.10723	1.8
105.07027	17.6
106.07364	1.9
107.08578	13.4
108.08945	1.3
109.06491	2.1
109.10163	4.4
117.07008	2.6
119.08541	10.4
121.10133	6.2
123.08050	1.6
124.99980	33.7
125.09655	1.6
127.03910	1.9
129.07031	1.3
131.08565	7.1
133.10130	6.6
135.11649	4.1
143.08496	4.2
145.10107	5.6
147.11714	4.9
149.13225	2.0
157.10086	2.7
159.11694	2.5
171.11710	1.9
173.13194	1.9
183.80307	1.2
184.07298	90.8
185.04176	1.3
185.07718	7.0
189.91014	1.2
243.08531	4.7
244.08714	1.1
267.19882	1.1
315.19363	2.1
316.19543	1.3
327.46848	1.1
349.19910	1.9
391.60141	1.0
465.21054	1.8
466.21298	4.6
467.21530	1.5
519.29309	5.2
534.27734	1.2
567.28064	3.9
747.40869	1.5
757.40839	2.0
758.41479	22.2
759.41675	25.1
827.46979	3.1
837.31567	1.3
844.48315	6.6
845.49738	100.0
846.49933	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	844.5774
Annotation	Unknow
Peak:m/z	Relative Intensity
61.42096	4.8
67.05502	56.4
69.07050	33.4
76.56616	5.0
79.05478	47.0
81.03372	10.7
81.07034	100.0
83.04961	21.1
83.08605	27.9
86.09713	6.6
87.25611	4.2
91.05448	35.8
93.07010	55.7
93.98506	4.2
95.04954	20.6
95.08577	43.9
97.06505	4.4
97.10116	32.5
105.07014	25.2
107.04951	9.7
107.08576	28.7
109.06522	9.4
109.10133	9.1
111.04414	18.9
112.66488	4.7
116.57938	4.1
117.06989	10.6
119.08525	34.8
121.06422	5.5
121.10120	23.8
123.08035	20.4
125.09615	32.7
129.06973	7.0
130.90715	4.3
131.08540	19.7
133.10135	6.9
135.11656	6.2
137.09521	4.7
145.10088	9.8
145.47702	5.6
157.10101	7.3
159.11678	4.7
163.11192	11.2
175.11195	7.5
181.12178	5.6
184.07335	25.2
189.11250	4.9
200.07466	4.8
200.76796	5.4
212.14957	5.2
273.18393	19.7
291.19525	40.0
339.28857	43.3
365.23215	21.2
383.24115	9.1
598.91449	4.9
600.77521	4.9
629.47455	32.3
647.48785	42.3
800.59027	5.4
844.46472	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	845.5005
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02910	5.1
67.05489	9.1
69.03419	4.1
69.07063	3.0
69.62861	1.9
73.02911	2.9
79.05478	8.8
81.07030	11.1
82.07386	2.1
83.67812	1.8
85.02899	2.7
86.09671	3.3
91.03939	3.0
91.05465	9.8
93.07032	13.4
95.04977	2.9
95.08550	2.9
97.02866	3.5
105.06982	4.1
107.08569	2.8
119.08567	3.4
121.10040	2.3
124.99997	2.3
131.08521	2.9
145.10217	2.3
147.11630	2.8
151.13112	2.0
173.04639	2.2
184.07269	17.6
243.08337	3.2
301.66260	2.2
311.70084	2.3
333.20416	3.4
491.43881	2.3
502.38943	2.3
535.28595	3.2
551.27997	8.1
589.50433	2.2
629.00269	2.8
774.61041	3.3
844.48328	17.2
845.49725	100.0
846.49945	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	843.4858
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08142	1.1
61.02911	6.1
67.05492	33.3
68.05824	1.8
69.03416	4.2
69.07056	7.6
71.04967	1.0
71.07349	1.1
73.02902	3.7
76.24632	0.8
79.05475	19.6
81.03390	2.1
81.07034	26.2
81.23976	0.9
83.04949	0.9
83.08601	4.6
85.02905	6.0
86.09699	11.6
91.03958	1.0
91.05470	14.3
93.07023	20.8
94.07339	1.7
95.04391	0.9
95.04973	3.7
95.08582	13.8
97.02873	5.4
97.06499	2.1
97.10127	1.5
99.04446	1.2
101.02380	1.4
105.07018	12.5
107.04917	1.5
107.08577	12.8
109.06499	1.9
109.10130	14.5
110.10497	1.2
117.07021	2.2
119.08552	11.2
121.10100	7.1
123.11670	1.8
124.99975	9.5
125.09613	1.9
131.08569	4.9
132.93301	0.9
133.10072	7.2
134.10490	1.1
135.11687	4.5
137.09622	1.1
143.08559	1.5
145.10123	4.4
147.11702	4.3
149.09561	1.1
149.13254	1.6
150.56479	0.9
159.11691	1.6
167.34525	0.9
173.11749	3.9
173.13219	1.4
184.07289	27.7
184.08745	1.3
185.07877	1.0
185.13211	1.0
227.12823	1.8
229.14258	7.9
243.08394	5.3
261.22189	1.2
269.17484	1.1
275.19992	3.8
301.08994	2.2
315.10623	1.2
333.20178	1.3
335.25732	14.6
336.26065	3.8
349.23737	1.2
371.16684	1.3
401.32306	1.0
489.35815	4.0
490.36401	1.7
517.15283	1.0
519.29254	4.5
530.39240	1.9
533.27332	2.2
535.28577	1.9
549.26563	2.3
551.28754	1.3
609.45654	2.3
610.45569	2.2
627.45789	1.5
628.46625	1.9
639.56396	1.1
746.41925	4.9
843.48376	100.0
844.48993	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	842.5611
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03904	4.2
67.05492	75.0
69.03407	6.0
69.07055	34.3
71.04970	5.5
71.08624	4.3
79.05466	58.2
81.03388	6.5
81.07043	100.0
83.04958	7.8
83.08598	16.5
85.06538	6.0
86.09685	14.0
91.05464	71.4
93.07023	90.8
95.04932	21.0
95.08572	54.8
97.06493	7.2
97.10149	7.8
103.05461	5.3
105.07018	83.2
107.08588	55.0
109.06491	16.5
109.10139	31.8
117.07007	23.6
119.08563	58.3
121.06473	3.8
121.10117	28.4
123.11636	4.8
124.85706	3.9
124.99986	5.6
125.09598	7.5
125.43829	3.4
129.06985	18.6
131.08533	49.3
133.10104	36.8
135.07947	5.1
135.11644	20.3
143.08540	23.3
145.10095	30.1
147.11678	30.2
147.12627	3.6
149.09586	6.0
149.13258	5.0
151.11151	7.6
155.08472	7.8
157.10110	17.9
159.11624	33.2
161.13185	15.3
169.10091	8.3
171.11687	23.1
173.13225	8.0
183.11685	8.5
184.07339	33.2
187.14793	4.9
193.43044	3.6
197.13243	5.6
199.14766	4.1
201.16367	4.5
213.16391	5.7
224.48155	3.9
227.12645	3.6
246.24979	4.6
259.20450	4.8
293.20999	7.3
335.25717	14.8
367.24860	5.2
498.74222	4.1
500.99878	5.2
527.36859	8.6
611.46283	25.5
627.46088	13.9
641.10785	4.2
780.04047	4.8
836.43457	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	842.5601
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	7.1
61.02904	0.5
65.03921	1.2
67.05492	51.3
69.03400	2.4
69.07054	18.1
71.04974	2.7
71.07357	4.7
72.97557	0.6
79.05473	34.6
81.03382	2.4
81.07035	52.3
83.04959	4.2
83.08595	9.1
83.18398	0.6
85.02872	0.9
85.06503	1.3
86.09689	43.4
91.05459	28.6
92.09253	1.2
92.63967	0.6
93.07022	41.1
95.04943	5.5
95.08585	27.5
96.20213	0.6
96.89282	0.6
97.06503	4.9
97.10136	3.8
98.98427	4.5
99.08069	1.0
99.46337	0.7
104.10718	2.6
105.07011	21.8
107.04948	3.0
107.08571	25.3
109.06502	3.7
109.10134	22.1
111.08057	3.0
115.50162	0.6
117.06992	9.0
119.08549	17.2
121.06467	2.2
121.10106	14.5
123.08030	2.2
123.11686	3.4
124.99056	1.1
124.99976	33.2
125.09612	2.8
129.06966	2.7
130.07773	0.8
131.08545	12.2
133.10107	9.6
135.08017	2.5
135.11679	8.7
137.09636	0.9
139.11086	0.7
141.06979	0.6
143.00983	0.6
143.08551	3.1
145.10094	10.2
147.08034	0.8
147.11676	7.6
149.09604	4.1
149.13252	6.5
151.11183	0.9
155.08510	1.1
157.10123	3.2
159.11661	8.7
161.09579	0.7
161.13190	4.0
163.11127	2.1
163.14801	2.2
165.12607	0.6
169.10144	1.0
171.11661	2.8
173.11674	3.0
173.13229	4.1
175.14926	0.9
177.12680	0.8
183.11671	1.4
184.07300	100.0
185.13203	0.9
187.14854	1.2
189.11128	1.0
197.13301	1.0
227.12718	1.1
229.14313	10.9
239.17987	1.1
257.18954	1.1
261.22079	4.5
265.81244	0.7
269.17365	7.9
275.20016	7.3
293.21136	1.1
335.25696	30.3
349.23645	7.7
367.24698	7.0
489.35760	7.7
527.37341	0.8
529.31262	1.1
529.38831	26.4
530.38434	0.7
547.39270	1.0
609.44922	15.7
627.46051	11.9
726.46582	3.0
792.51410	1.3
842.56696	4.0
843.47272	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	841.4699
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02916	2.5
67.05495	18.8
69.03430	4.8
69.07055	10.5
71.04971	1.3
73.02914	4.5
74.43799	1.0
79.05477	14.6
81.03419	4.8
81.07037	19.6
82.07433	1.1
83.04992	4.7
83.08630	2.6
83.29738	1.1
85.02919	6.8
91.03934	1.6
91.05456	17.0
93.07033	15.5
95.04973	6.1
95.08572	15.7
97.02888	4.8
97.06530	2.1
97.10155	1.6
101.02362	1.3
105.07010	15.9
107.04951	2.0
107.08591	9.9
109.02872	1.2
109.06526	1.7
109.10163	6.3
117.07029	2.6
119.08569	11.2
121.06521	1.5
121.10163	4.8
123.08051	1.5
125.09603	1.3
129.06992	2.0
131.08580	6.5
133.10104	8.3
135.08063	2.2
135.11700	1.7
143.08586	1.9
145.10158	5.2
147.11700	2.6
149.09624	1.3
149.13231	1.6
159.11719	2.6
163.11212	2.6
179.14308	1.3
189.11295	1.8
193.12161	1.4
227.12877	1.4
243.08488	5.1
261.24463	1.0
273.18445	1.7
291.19702	5.5
311.02863	1.2
315.19440	6.1
331.18762	2.1
335.25806	4.8
336.26196	2.3
365.23108	3.9
412.74936	1.1
523.59167	1.2
531.25366	1.7
533.27026	12.2
625.44800	4.3
626.44800	4.9
644.45209	3.6
732.37579	1.3
823.46204	7.2
841.46838	100.0
842.47607	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	841.4698
Annotation	Antibiotic L 156602
Peak:m/z	Relative Intensity
61.02912	3.5
66.81038	0.6
67.05493	10.3
67.45837	0.7
69.03413	4.5
69.07063	7.2
70.33823	0.8
71.04984	0.8
73.02899	2.9
79.05481	8.6
80.05849	0.8
81.03394	3.6
81.07030	11.9
83.04974	1.3
83.08593	1.7
85.02895	3.6
91.03935	1.0
91.05438	9.5
92.08654	1.0
92.63612	0.7
93.07014	10.2
95.01258	1.1
95.04960	3.2
95.08583	6.9
97.02885	3.2
97.06525	1.2
101.02364	1.5
101.32058	0.8
105.07015	6.9
107.04950	1.6
107.08616	5.1
109.10149	1.3
111.08080	0.8
115.19785	0.8
117.06996	3.0
119.08545	6.9
121.10154	3.3
123.11636	0.8
125.09625	1.4
127.03880	0.9
129.06963	0.9
131.08574	3.6
133.10101	3.5
134.10483	0.8
135.08133	0.8
135.11728	1.4
143.95448	0.9
145.10115	3.1
147.11652	1.6
149.09589	1.1
157.10075	1.0
159.11649	1.2
161.13255	1.1
184.07335	1.5
199.93382	0.8
220.90262	0.8
223.13255	1.4
243.08405	4.9
291.19522	1.0
297.46896	0.8
309.56598	0.8
315.19421	3.3
320.35233	0.9
331.18869	1.5
335.25620	1.5
371.22055	1.1
376.68903	0.7
405.79865	0.8
533.27179	12.3
546.38702	0.8
549.26715	4.5
625.44452	1.7
626.44818	3.1
841.46832	100.0
842.47437	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	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05491	73.9
69.07049	33.1
69.70271	4.5
71.04971	6.9
73.02892	4.6
74.07819	4.5
79.05470	100.0
81.03397	6.4
81.07041	80.8
83.04976	5.5
83.08592	25.3
83.95226	5.0
84.49652	4.1
86.09675	9.7
89.37069	4.2
91.05462	81.0
92.09269	10.9
93.07018	81.5
95.04955	12.5
95.08586	50.5
97.10155	33.3
103.05417	4.7
105.07020	79.1
107.04925	6.8
107.08569	56.8
109.06458	6.9
109.10161	26.2
112.07352	5.4
117.07003	37.8
119.08566	77.2
121.06471	8.1
121.10087	26.2
124.99934	9.1
125.09618	29.1
129.06967	10.0
131.08525	41.3
133.10129	46.4
135.11674	10.0
143.08545	30.5
145.10123	35.5
147.11690	41.3
149.09543	8.0
155.08525	8.7
157.10103	22.0
159.11685	31.4
161.13205	9.7
168.39694	5.5
169.10083	20.7
171.11586	12.4
173.13176	9.5
174.74332	6.0
181.10077	7.4
183.11674	9.7
184.07259	42.4
185.13252	21.6
197.13213	11.0
211.14728	6.1
227.12726	23.6
232.70378	5.0
257.18991	6.4
259.20526	21.7
260.66302	6.0
275.19995	17.6
284.27328	5.5
333.24341	6.1
349.23758	6.3
360.92538	5.7
513.35541	11.9
533.39862	6.7
607.43848	57.6
624.42566	7.2
625.44562	89.8
841.45758	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	841.4695
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	4.6
64.44796	1.1
67.05491	17.4
69.03402	2.5
69.07044	6.6
71.05009	1.3
71.62966	1.3
73.02899	2.6
79.05460	15.7
81.03407	4.9
81.07035	14.9
83.04974	2.0
83.08611	1.7
84.80658	1.0
85.02906	5.1
86.09687	2.1
91.05458	12.8
93.07026	13.8
95.04964	5.3
95.08596	7.0
97.02888	2.1
97.06530	1.9
101.02380	1.7
105.06990	10.2
105.52981	1.2
107.04945	1.8
107.08589	8.0
109.06488	2.6
109.10154	2.8
117.06985	1.5
119.08575	5.5
121.10126	2.4
131.08582	2.8
133.10156	6.5
135.11691	2.3
145.10138	2.1
147.11696	1.4
149.13194	1.4
151.11160	1.1
161.13237	1.3
184.07353	4.7
243.08492	4.5
313.22510	1.2
315.19281	5.9
331.18872	1.6
335.25836	1.8
371.22311	1.7
399.95059	1.3
466.92755	1.3
513.39630	1.4
533.26764	9.9
549.26843	7.6
603.89429	1.3
626.45087	1.7
711.22784	1.4
836.24353	1.3
841.46771	100.0
842.46771	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	840.5453
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08102	2.6
65.03899	3.6
67.05143	3.7
67.05486	77.8
68.05840	3.7
69.06689	3.7
69.07046	36.6
71.04958	3.5
71.08611	4.6
73.04491	2.8
79.05471	76.6
80.05785	3.4
81.03397	7.0
81.06593	5.1
81.07037	100.0
83.04953	15.7
83.08586	17.4
85.06533	3.7
89.95382	3.1
91.05460	79.7
93.07017	88.3
95.04934	18.1
95.08575	60.9
97.02917	3.6
97.06506	13.8
97.10120	6.6
99.08054	4.9
105.07011	72.1
107.04942	5.3
107.08585	48.0
109.06473	15.3
109.10129	23.3
111.08083	4.6
115.08746	3.4
117.06979	27.3
119.08553	54.7
121.10129	27.2
123.07983	3.8
124.99934	5.2
126.07434	3.3
128.06143	3.5
129.06953	11.7
131.08536	36.5
133.10100	37.4
135.08000	4.1
135.11658	19.9
143.08459	5.5
145.10133	22.2
147.08026	3.3
147.11650	18.6
149.09605	6.2
151.11069	4.1
153.06937	3.4
153.08960	3.0
157.10033	5.4
159.11624	15.8
161.09566	4.7
161.13206	12.2
163.11177	3.8
171.11717	4.9
179.14253	5.6
184.07277	5.9
185.13156	5.8
187.14742	5.1
216.70012	3.3
235.82880	3.6
257.12958	3.3
275.19919	15.0
277.21466	7.1
291.19250	3.6
333.24277	4.1
335.25519	28.7
336.25839	4.8
349.23386	3.9
351.25024	6.7
363.21307	3.4
365.23050	3.8
380.48834	3.3
381.22678	4.7
545.38245	6.4
609.44525	21.0
610.46320	3.2
625.44189	13.1
642.44183	5.8
643.44324	4.7
853.59369	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	840.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04979	1.7
61.02907	1.3
65.03920	1.7
67.05496	68.8
69.03436	7.3
69.07058	23.3
71.04961	6.4
71.92632	0.8
79.05479	68.0
81.03415	9.1
81.07043	100.0
83.04974	17.4
83.08603	23.7
85.02913	2.6
85.06531	2.1
91.05466	38.9
93.03368	1.2
93.07027	64.4
93.92463	1.0
95.04950	21.3
95.08586	43.8
95.09196	1.5
97.02863	1.3
97.06480	9.3
97.10152	29.1
99.04395	1.3
99.08080	1.8
103.05485	1.8
105.07015	37.0
107.04928	9.8
107.08578	37.0
109.06498	9.9
109.10148	20.5
111.04434	16.9
111.08102	8.3
117.07010	18.9
119.08564	34.1
121.06478	9.3
121.10116	24.8
123.08054	27.1
123.09573	1.0
123.11710	2.1
125.05985	1.8
125.09611	26.9
129.06989	6.0
131.08549	20.9
133.06465	2.2
133.10110	16.2
135.08067	9.5
135.11662	18.5
137.09622	6.5
141.81447	1.1
143.08546	7.1
145.10112	23.8
147.01448	1.0
147.08051	13.1
147.11691	11.0
149.09564	8.7
149.13249	4.8
151.11253	1.3
153.09161	3.8
153.12701	6.3
155.08485	1.5
157.10100	5.8
159.11682	9.2
161.09608	10.4
161.13242	4.3
163.11165	20.8
163.14751	1.6
165.09048	2.5
169.10152	4.2
171.10234	1.0
171.11626	2.5
173.09596	3.7
173.13196	1.4
175.11139	6.8
175.14781	1.2
177.12761	1.4
181.10638	0.9
181.12175	8.8
185.13269	2.6
187.14845	1.4
188.93082	1.0
189.11221	15.2
191.10658	5.3
193.12169	5.7
217.19443	1.2
223.13222	2.1
227.12775	14.4
227.17902	1.6
231.13876	1.1
243.20844	1.5
245.18991	1.5
249.14760	1.5
255.17451	1.9
261.22092	5.1
263.19901	1.5
273.18448	28.8
275.20236	1.2
283.15582	1.7
291.19489	65.1
309.20636	12.5
335.25729	67.6
336.25974	1.4
347.22119	6.9
354.58572	1.2
365.23114	31.5
366.23431	1.4
383.24237	23.4
498.67230	1.2
543.37439	1.1
607.43329	1.9
625.44562	45.8
626.44147	1.5
643.45544	51.9
643.56140	2.1
644.46124	1.8
726.10376	1.0
799.15161	1.3
845.09320	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5456
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	4.9
62.52532	2.4
65.03934	2.7
67.05486	90.8
69.03415	4.3
69.07046	38.5
71.04956	5.7
79.05468	90.7
81.03393	14.4
81.07034	100.0
83.04964	16.4
83.08578	21.4
85.02889	10.4
85.06573	3.0
91.05452	97.7
92.05813	3.0
92.09320	2.5
93.07018	98.4
95.04939	28.5
95.08582	58.9
97.02885	3.6
97.06502	16.3
97.10142	2.9
105.06999	92.1
106.07349	3.9
107.04958	19.3
107.08566	44.8
109.06500	12.1
109.10148	21.5
111.08054	5.8
115.05376	4.3
117.06994	32.6
119.08546	75.5
120.08908	3.4
121.06470	3.2
121.10114	36.0
123.08038	3.9
123.11650	3.6
129.06967	28.4
130.25578	2.4
131.08539	44.5
133.10091	48.1
134.10460	2.8
135.08046	4.5
135.11671	20.9
137.09613	4.8
141.07021	3.9
143.08545	21.0
145.10104	43.7
147.11650	29.1
149.09578	11.6
149.13243	4.3
155.08527	13.0
157.10104	21.5
157.75246	2.7
159.11656	20.6
161.09521	3.2
161.13251	17.2
163.11168	16.0
167.08633	3.3
169.10086	10.1
171.11682	19.2
173.13217	10.1
183.11592	6.0
184.07344	6.0
185.13234	10.7
195.11734	3.1
197.13263	5.5
199.14748	3.3
213.16339	3.2
215.14294	2.8
229.61314	2.4
239.17712	3.0
241.19508	9.2
255.15901	4.4
259.20517	18.2
267.16196	2.7
269.17447	5.8
275.19946	23.8
276.20377	4.0
301.21432	3.2
315.22818	2.6
333.24207	17.7
341.52200	2.6
349.23630	15.4
350.24121	5.8
367.24832	4.3
439.31732	2.9
453.34195	3.0
472.33298	2.9
513.35468	16.8
515.37427	3.6
527.37378	30.7
545.38324	4.0
607.43561	20.9
624.43085	4.0
625.44141	29.1
641.44086	4.1
642.44269	10.2
643.44800	10.6
769.48499	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5459
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02893	2.2
62.09010	1.4
65.03922	2.7
65.63835	1.1
67.05490	80.0
68.13960	1.1
69.03408	8.9
69.06718	1.7
69.07054	33.2
70.21381	1.2
71.04977	2.9
71.07372	1.2
72.04219	1.1
73.02865	1.4
79.05470	76.8
79.34982	1.3
81.03415	11.8
81.07038	100.0
83.04974	12.6
83.08604	15.0
85.02897	5.3
85.06541	2.7
91.04873	2.9
91.05454	82.3
93.07018	86.3
95.04935	14.1
95.08582	52.0
97.02852	2.9
97.06469	11.0
97.10144	7.2
99.08035	1.3
103.05431	2.1
105.04494	1.5
105.07007	76.1
107.04945	7.2
107.08583	53.5
109.06491	8.1
109.10136	22.0
111.08068	5.3
115.05470	1.7
117.07000	29.2
119.08553	62.5
120.15645	1.2
121.06451	4.9
121.10110	29.5
123.08048	3.0
123.11646	2.9
125.09611	1.9
128.06155	2.7
129.06996	19.7
131.08531	35.1
133.10106	48.9
135.08073	4.9
135.11681	24.7
137.09576	3.1
141.06943	3.2
142.07747	1.6
143.08534	20.8
145.10104	34.2
147.11665	28.2
149.09592	7.8
149.13239	11.4
151.07532	1.9
151.11163	2.8
153.58289	1.4
155.08527	10.9
157.10083	19.7
159.08197	1.6
159.11644	30.2
161.09544	1.7
161.13235	11.5
163.11139	7.9
167.08499	3.2
169.10112	11.5
171.11679	19.3
173.04480	1.7
173.13182	12.6
175.11095	2.1
175.14793	6.1
177.12738	5.0
181.10080	2.8
183.11647	12.4
184.07339	2.1
185.13173	12.9
187.14841	2.2
195.11589	2.8
197.13266	6.0
199.14766	5.3
201.16315	2.1
209.13206	2.7
211.14825	3.1
213.16338	1.9
221.13316	1.5
223.14886	2.4
225.16254	1.3
231.21028	1.6
237.16425	1.5
241.19392	10.8
255.15691	10.3
257.18875	5.4
259.20496	25.3
263.20123	1.5
269.17377	13.9
275.20084	11.8
315.23022	3.1
333.24203	25.5
335.25766	2.2
349.23514	6.9
367.24542	3.1
417.31033	1.6
435.32260	5.1
453.33572	2.0
471.34219	1.7
513.35541	12.1
515.37598	2.8
517.38342	2.0
527.37140	43.8
528.37219	1.8
531.36804	5.1
532.49988	1.5
544.36646	1.8
545.37994	7.5
607.43439	18.4
625.44476	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	840.5466
Annotation	Unknow
Peak:m/z	Relative Intensity
60.00196	1.7
60.02597	1.3
60.08142	2.8
64.38384	1.5
65.03933	2.3
67.05492	80.9
68.31232	1.3
69.03416	3.0
69.07059	36.9
71.05003	3.0
76.25610	1.6
79.05479	82.3
81.03414	7.7
81.07041	76.6
82.02870	1.4
83.04967	17.3
83.08602	37.7
85.02904	6.1
85.06542	6.6
86.09683	23.6
86.98002	1.6
91.05466	77.4
93.07027	100.0
95.04953	93.2
95.08588	56.7
97.06519	11.8
97.10143	17.5
99.04462	5.7
99.08114	1.9
103.05479	2.0
105.07019	93.7
107.04952	18.0
107.07869	2.9
107.08577	55.5
109.06522	7.3
109.10139	21.2
111.04439	14.7
111.08099	9.6
114.16265	1.8
117.06999	32.7
119.08566	71.3
121.06499	8.4
121.10129	36.3
123.08069	8.8
123.11680	3.3
124.99986	14.0
125.09618	9.7
128.06317	1.9
129.07004	19.8
131.08542	43.8
133.10117	48.6
135.08054	9.9
135.11685	16.9
137.09610	2.4
139.11150	2.6
141.07001	2.6
143.08559	19.9
144.09373	1.6
145.10110	43.4
147.08075	3.6
147.11664	29.0
149.09605	34.0
149.13300	7.3
151.11197	2.0
155.08528	6.8
157.10101	16.6
159.08102	2.0
159.11656	29.0
161.09595	2.1
161.13249	20.7
163.11162	30.5
163.14847	2.1
165.12718	2.2
167.08578	2.1
169.10146	8.7
171.11681	11.6
173.09520	2.3
173.13249	13.5
175.11160	3.4
175.14842	6.8
177.12720	2.8
181.10020	2.2
183.11731	6.4
184.07312	45.5
185.13225	6.7
187.11165	2.7
187.14813	2.0
189.11261	6.2
195.11623	2.0
197.13280	3.5
199.14812	3.2
203.17821	1.5
205.12164	2.4
211.14798	2.5
213.16409	2.8
215.14227	1.9
223.13217	34.2
225.16394	1.9
229.19467	3.1
231.20966	2.3
239.17894	1.9
241.19504	13.5
257.18927	10.8
259.20505	34.3
273.18726	2.2
275.20038	46.2
291.07422	1.7
293.21024	25.7
315.23163	6.1
333.24197	42.7
335.25961	2.6
349.23450	14.6
351.08469	1.5
367.24728	39.1
497.35733	2.5
499.34348	3.2
533.39722	1.8
607.43372	13.7
625.44452	70.0
643.44781	3.5
665.05261	1.7
695.91846	1.8
800.49683	2.0
840.48438	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02915	1.1
65.03922	2.7
67.05492	59.0
68.05766	1.0
69.03406	2.5
69.07058	27.5
71.04962	2.6
72.93778	2.2
75.22612	1.1
79.04999	1.7
79.05474	63.5
81.03387	4.7
81.07039	100.0
83.04945	7.5
83.08597	11.8
85.02871	1.3
85.06524	2.1
85.88737	1.2
86.09680	2.8
91.05463	60.6
92.09394	2.3
93.07022	53.8
95.04960	14.3
95.08585	40.3
97.02852	1.4
97.06512	9.7
97.10152	2.4
99.08066	1.4
105.07015	69.1
106.07312	1.8
107.04985	8.9
107.08579	34.8
109.06506	14.0
109.10157	13.3
111.08051	4.6
116.07073	1.4
116.96381	1.1
117.07000	21.5
119.08562	55.7
120.08858	1.3
121.06480	6.8
121.10126	24.5
122.71952	1.3
123.08035	6.1
123.11695	6.0
124.99969	1.9
125.09660	2.6
125.81757	1.3
128.06216	2.4
129.05418	1.5
129.06976	11.3
131.08551	26.7
133.06451	1.4
133.09177	1.8
133.10110	33.3
135.08018	5.5
135.11670	15.3
137.09560	2.7
141.06912	1.8
142.07787	1.4
143.08513	9.2
145.10117	19.6
147.07971	1.6
147.11670	30.0
149.09607	9.3
149.13226	8.1
151.11156	6.6
157.10072	8.3
159.11630	14.1
161.09572	2.5
161.13248	12.2
163.11130	2.5
165.12709	2.0
169.10124	2.3
169.28267	1.2
171.11687	9.4
173.13225	7.7
175.11142	2.5
175.14783	6.0
177.12614	2.1
178.91899	1.1
183.11633	4.4
183.73253	1.2
184.07286	8.7
185.13255	7.6
187.14839	2.1
199.02072	1.3
199.14763	1.5
213.16266	2.2
231.17276	1.4
241.19489	11.5
247.20488	1.8
257.18918	1.6
259.20496	26.1
265.05115	5.0
266.05457	1.4
267.15869	1.4
275.20023	22.8
277.21573	1.2
283.06171	17.2
284.06628	5.0
291.19562	5.0
292.19687	2.2
293.21045	9.0
301.07187	1.8
315.23038	2.0
333.15289	2.0
333.24152	46.5
335.25699	1.4
349.23782	9.9
351.25040	2.1
365.23074	2.0
367.24756	27.4
501.35339	1.2
503.94708	1.2
533.40039	1.9
544.37012	1.2
551.40479	2.7
571.89716	1.2
579.17291	1.4
607.36212	1.2
607.43591	15.3
624.43231	2.4
625.44452	32.9
643.45197	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	840.4951
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	3.3
61.02901	7.7
64.33514	2.0
65.03924	2.3
67.05491	100.0
68.05810	2.4
69.03411	8.0
69.07050	31.4
71.04987	13.3
73.02883	2.9
76.56270	1.8
77.46561	1.8
79.05471	56.9
80.05813	2.3
81.03400	80.5
81.07035	78.5
82.03702	3.6
82.07370	4.3
82.52242	1.7
83.04972	17.5
83.08601	35.1
85.02891	23.4
85.06543	9.6
87.04430	3.0
91.03893	2.7
91.05462	57.6
92.05764	3.1
93.07021	54.9
94.07331	3.4
95.04948	45.9
95.08585	35.9
97.02866	10.0
97.06524	13.9
97.10133	16.0
99.04424	4.3
99.08063	2.1
103.05434	3.1
105.07012	42.7
106.07312	3.4
107.04931	21.4
107.08562	35.1
108.14377	1.9
109.02831	2.7
109.06481	10.0
109.10131	50.8
111.04437	4.0
111.08064	10.1
117.06976	14.4
119.04907	2.6
119.08567	31.3
121.06470	12.8
121.10135	22.3
122.10410	2.4
123.04420	2.6
123.08024	3.2
123.11665	2.9
125.09604	12.5
129.06970	10.6
131.04884	2.5
131.08539	22.3
133.06433	7.5
133.10091	20.0
134.10529	2.1
135.08034	3.3
135.11650	11.5
137.05983	2.2
137.09578	8.5
142.07765	1.8
143.08554	2.9
145.06435	2.9
145.10072	12.2
147.08034	3.0
147.11638	14.8
148.12067	2.7
149.09608	15.2
149.13216	7.4
155.08546	1.9
155.10506	1.8
157.10097	12.5
159.11685	8.2
161.09633	3.6
163.07635	2.0
163.11153	9.5
165.12683	2.9
168.42546	1.9
171.11673	3.5
173.11714	10.0
173.13121	2.7
175.11060	14.9
177.12570	2.4
183.11710	2.0
187.11125	2.3
193.12233	24.3
194.12523	3.4
195.13742	2.2
197.13147	2.2
211.13196	13.0
212.13564	3.5
227.12723	3.8
229.14325	24.0
247.20634	2.1
265.05014	2.0
267.15823	37.2
269.17334	11.9
270.17798	3.2
275.19958	9.8
285.16937	8.9
286.17178	4.5
332.37427	2.1
349.23663	6.8
383.24310	3.7
421.25641	17.8
423.27344	2.9
461.28693	11.7
462.29120	4.1
463.29712	7.8
479.29813	16.8
480.30460	27.8
481.30576	25.2
503.33655	3.4
541.35156	14.2
559.35712	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	840.4211
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02900	10.0
67.05492	47.8
69.03400	6.8
69.07056	12.4
71.01365	1.8
71.04966	6.8
73.02891	2.4
74.14698	1.7
79.05465	24.5
81.03395	33.5
81.07039	41.3
83.04961	16.5
83.08615	13.7
85.02890	24.4
85.06521	1.7
89.73694	1.8
91.03958	6.4
91.05457	39.0
93.07007	27.5
95.04940	22.5
95.08584	6.8
97.02848	9.8
97.06518	4.1
97.10169	2.1
105.06998	34.8
107.04922	2.6
107.08577	29.6
109.06493	8.3
109.10146	53.6
111.08067	9.2
113.05981	2.0
117.06972	2.7
119.08544	13.0
121.10100	7.0
123.11662	9.7
125.09583	2.3
129.06975	10.4
131.08548	9.8
133.10110	70.4
137.09602	2.2
142.72987	1.7
144.86652	1.8
147.11655	10.0
149.09607	2.4
151.11166	34.1
157.10109	10.8
163.11186	2.9
167.06970	3.7
169.12202	4.2
175.11148	7.4
193.12231	27.4
211.13277	35.1
214.50415	1.7
219.26900	1.7
243.36090	1.6
253.14287	100.0
267.15872	9.8
271.15311	20.8
285.16870	20.3
397.37347	1.6
445.25784	2.8
463.26767	25.4
481.27859	84.5
531.53241	1.9
754.58044	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	838.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	2.4
61.02914	4.0
61.44999	1.5
65.03920	3.1
67.05490	92.6
69.03426	2.8
69.07053	38.7
70.04903	1.6
71.04971	2.3
71.08617	2.0
79.05476	86.9
81.03400	11.2
81.07037	100.0
83.04975	12.8
83.08608	21.0
85.02886	7.7
86.09657	1.7
91.05461	59.3
93.07022	86.6
95.04957	23.2
95.08586	64.3
97.02835	2.4
97.06525	7.8
97.10163	19.7
99.00765	3.3
99.04418	2.1
103.05457	2.4
105.07015	38.0
107.04958	11.3
107.08578	48.7
109.02810	3.3
109.06499	16.0
109.10142	30.7
111.04440	3.5
111.08045	6.4
115.05496	1.7
117.06983	22.1
119.08553	34.3
121.06473	9.0
121.10125	28.3
123.04388	3.2
123.08022	3.0
123.11694	7.0
125.09620	10.2
129.06964	7.0
131.08545	22.6
133.06445	3.4
133.10094	32.5
135.08047	16.0
135.11684	19.3
137.09592	6.7
139.07530	1.9
143.08536	4.2
145.06467	6.6
145.10132	17.7
147.08064	3.1
147.11656	11.5
149.13242	6.7
151.07510	2.1
151.11186	2.7
153.09142	1.9
153.12729	2.1
157.10098	2.1
159.08038	3.8
159.11703	10.0
161.09586	8.2
161.13283	6.9
163.07550	8.5
163.11171	3.1
163.14790	2.7
171.11681	2.0
173.13260	6.3
177.99928	1.9
184.07368	5.9
187.14896	2.3
189.11212	4.2
191.10641	1.8
193.12225	17.3
199.14732	2.7
227.12642	2.8
261.18665	3.0
261.22086	12.5
271.16867	6.5
289.17966	14.7
307.19025	2.5
335.25735	79.5
363.21317	3.9
381.17987	3.0
381.22614	55.3
479.23141	1.9
499.34451	1.9
543.36987	4.0
549.38672	2.6
623.42810	15.3
637.88959	1.8
641.33221	2.5
641.44067	76.8
697.47296	2.2
810.62646	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	838.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
60.21656	3.0
60.35598	3.3
67.05489	100.0
68.79098	4.2
69.07050	30.8
75.30145	3.8
79.05479	56.5
81.07033	86.2
83.08603	28.5
91.05450	53.3
93.07027	72.1
95.04935	18.3
95.08580	59.6
100.37790	4.7
101.01341	4.0
105.07025	49.4
107.04953	9.6
107.08562	35.2
109.10165	26.0
117.06990	17.3
119.08540	40.2
121.10132	25.6
123.08069	5.8
131.08556	23.3
133.10120	33.1
135.07057	4.4
135.08026	5.3
135.11710	10.4
145.10117	21.0
147.11649	17.4
149.09595	5.7
159.11717	21.7
161.13278	4.1
163.11185	22.5
165.12688	4.6
275.20044	26.3
335.25781	77.0
349.23639	22.6
381.26300	18.9
609.45209	31.9
627.45490	7.8
641.47467	23.7
828.25275	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	840.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
58.76591	1.6
61.02905	17.4
65.03923	1.6
67.05146	3.8
67.05489	77.7
69.03397	10.7
69.07040	23.4
70.54161	1.5
71.01335	4.2
71.04980	12.6
71.48238	1.5
73.02893	10.7
79.05468	76.4
81.03399	35.5
81.06602	2.8
81.07037	62.9
82.03722	1.8
82.04170	6.7
83.01343	1.6
83.04970	27.5
83.08591	19.3
84.02087	4.1
85.02518	1.5
85.02897	24.7
85.06510	3.6
91.03936	13.8
91.05460	46.0
92.05794	2.9
93.07020	78.6
94.04209	2.2
94.07349	2.2
95.04945	30.1
95.08575	21.6
97.02860	17.1
97.06497	25.0
97.10144	22.8
98.07301	1.8
99.04445	3.4
99.08043	2.9
101.05975	1.7
105.07011	24.6
107.04909	12.7
107.08567	57.9
109.02905	2.1
109.06478	6.8
109.10139	16.1
111.04421	2.4
111.08050	7.8
116.04700	13.1
117.06993	12.1
119.08554	20.4
121.06484	4.0
121.10096	14.9
123.08018	6.9
123.11584	2.0
125.09593	15.2
127.03848	1.9
129.05469	28.3
129.07016	7.0
131.04881	2.1
131.08534	8.6
133.10097	18.9
135.08029	3.4
135.11659	64.4
137.09578	4.1
139.07457	2.2
143.07001	7.1
143.08470	2.7
145.04948	2.1
145.10100	18.4
147.11653	8.2
149.09547	5.8
151.11179	2.2
153.12761	2.2
157.08586	12.0
157.10019	3.3
163.06001	1.7
163.11153	20.3
171.06544	2.5
171.10104	3.6
175.11098	6.9
181.12209	17.5
189.11166	6.5
193.12231	8.1
199.13243	10.2
209.11667	13.2
211.13239	2.1
227.12697	12.7
228.30705	1.8
253.14171	3.3
255.15828	72.2
267.15945	7.5
267.38565	1.7
269.17337	2.8
271.19925	1.8
271.23773	1.6
283.15402	12.9
285.16687	2.8
297.28986	1.8
301.16391	30.7
309.16922	3.3
337.20062	3.1
397.25720	9.3
409.25647	22.6
447.27402	8.1
461.28720	2.4
462.28949	2.9
463.26703	13.4
464.27341	9.6
479.29825	7.7
480.30914	11.8
481.27805	100.0
492.20718	1.8
644.13519	1.9
838.15717	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	838.5301
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03922	2.5
67.05491	79.9
67.60355	0.9
69.03407	6.5
69.07051	26.6
71.04976	7.2
71.14757	1.1
74.52345	1.0
77.96863	1.1
79.05471	71.7
81.03423	9.4
81.07037	86.8
83.04961	12.9
83.08610	11.5
85.06519	6.9
86.06763	1.2
86.09678	2.0
87.04465	1.5
91.05459	100.0
93.07023	67.2
95.04946	18.3
95.08582	35.9
96.45310	1.1
96.99088	1.1
97.02872	1.6
97.06496	8.5
97.10111	2.0
97.67744	1.1
99.04411	2.1
99.08056	1.5
103.05404	4.3
105.07008	98.0
107.04948	10.7
107.08572	45.4
109.06487	12.5
109.10135	51.0
111.08054	2.1
115.05426	1.7
117.06994	27.1
119.08558	54.6
121.06447	5.3
121.10111	15.7
123.08038	5.0
123.11649	8.6
125.09564	1.7
127.07500	1.5
128.06174	4.6
129.06993	13.2
131.08540	32.1
133.06470	7.0
133.10098	73.9
135.08049	4.8
135.11679	12.2
137.09615	1.7
141.07039	1.3
142.07773	1.9
143.08562	12.0
145.10103	24.1
147.08057	4.4
147.11661	25.6
149.09605	6.9
149.13223	6.7
151.11166	20.9
155.08513	2.5
157.10104	14.4
159.11653	12.4
161.09576	8.2
161.13199	16.0
163.11192	2.1
169.10141	5.1
169.12193	1.7
171.11633	11.5
173.09573	1.4
173.13234	5.3
175.11098	1.3
175.14783	2.7
181.10068	1.6
183.11700	6.6
184.07306	5.2
185.13177	6.0
195.11783	1.7
197.13223	2.5
199.14774	2.6
213.16325	1.9
227.17912	1.3
231.21033	1.6
241.19502	9.8
245.19038	2.0
253.14308	38.1
255.17337	1.3
257.18979	1.5
259.20502	25.9
273.18475	7.0
275.19916	2.8
291.19495	7.9
315.23181	2.0
333.24133	29.2
353.28656	1.5
365.23154	18.8
404.19449	1.3
422.07669	1.6
437.30121	1.4
511.34229	11.1
529.34949	12.3
531.37598	1.7
549.38898	2.3
605.41571	7.4
623.42975	31.1
641.43860	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	838.5304
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02897	2.9
62.25594	1.5
65.03916	2.7
67.05144	3.2
67.05492	88.6
69.03403	7.0
69.07055	27.2
71.04963	8.7
79.05476	76.7
81.03403	11.4
81.07037	97.6
83.04959	13.7
83.08605	15.3
85.02872	1.9
85.06522	3.4
86.16561	1.5
91.05460	100.0
93.07021	79.6
93.76598	1.6
95.04942	25.9
95.08009	2.5
95.08581	50.8
97.02859	2.2
97.06512	10.9
97.10162	4.0
103.05447	2.1
105.07014	93.3
107.04932	13.3
107.08576	48.5
109.06509	15.5
109.10138	47.3
111.04442	2.3
111.08084	6.3
115.05465	3.1
117.07005	31.8
119.08551	62.3
121.06506	3.4
121.10127	22.2
123.08018	8.6
123.11672	6.5
125.09566	2.7
128.06174	3.4
129.06947	16.2
130.07739	1.8
131.08543	34.7
133.06450	6.6
133.10104	77.7
134.05630	1.6
135.08067	9.6
135.11702	12.8
137.09604	2.5
141.06947	3.9
142.07704	1.9
143.08551	18.4
145.06476	2.7
145.10101	27.2
145.19879	1.7
147.08038	7.1
147.11661	17.9
149.09610	10.9
149.13237	3.4
151.11148	13.0
153.12717	1.8
155.08525	3.7
157.10095	17.8
159.11670	14.9
161.09572	8.1
161.13283	12.7
163.11111	7.0
169.10129	4.1
171.11667	10.9
173.09526	3.0
173.13242	10.2
175.11140	3.9
175.14783	7.1
181.10165	2.6
183.11684	7.9
185.13226	9.4
187.14748	3.2
199.14780	3.9
201.16238	2.4
213.16464	2.5
237.16389	1.7
239.18039	2.0
241.19415	10.3
245.19054	2.2
253.14256	23.3
259.20532	27.3
273.18585	6.9
275.19916	12.8
289.17911	3.2
291.19437	6.6
315.23270	2.4
333.24139	15.4
335.25668	22.2
349.23602	8.3
365.23218	16.7
381.22620	3.0
437.30042	1.8
511.33844	8.8
515.36230	1.9
529.34827	10.9
531.38049	3.9
543.36816	14.5
549.39514	2.0
549.92969	1.8
605.41443	8.4
623.42987	41.0
641.44110	28.3
672.06427	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	838.5297
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03951	4.9
67.05495	88.9
68.52493	4.1
69.03408	9.3
69.07062	53.7
74.86855	3.6
79.05478	87.4
81.03406	7.8
81.07042	93.9
83.04996	6.1
83.08600	39.9
85.73554	3.7
91.05461	85.7
93.07028	90.0
95.04942	28.1
95.08595	55.3
97.02885	17.2
97.06503	9.4
97.10159	22.9
105.07022	94.1
107.04933	25.9
107.08573	45.7
109.06521	9.8
109.10180	38.1
111.08043	5.1
117.07005	27.9
119.08557	63.2
121.06460	7.0
121.10126	23.6
123.08064	8.4
123.11701	7.8
125.09621	17.4
127.24709	4.8
129.06996	22.7
131.08549	37.7
133.06451	9.6
133.10100	34.8
133.98413	4.2
135.08072	5.0
135.11705	6.2
137.09573	6.0
143.08566	25.2
145.10104	39.9
147.08028	15.6
147.11684	33.7
149.09602	9.1
149.13226	6.8
155.08524	4.4
157.10132	20.3
159.11685	23.5
161.13261	18.7
163.11163	7.1
168.51604	4.9
169.10182	4.8
171.11653	8.9
175.14890	6.6
183.11772	5.2
184.07227	4.7
185.13194	7.9
187.14847	5.0
189.11226	5.6
197.13332	6.8
209.13124	5.2
218.06392	4.0
223.13281	26.5
227.12737	7.7
241.19482	15.4
259.20474	29.7
273.18491	5.2
275.20016	8.1
283.01776	5.7
291.19501	100.0
333.24170	29.7
349.23682	22.4
365.23157	27.5
372.06332	4.4
525.35681	5.9
543.36517	9.3
578.40735	5.3
623.42804	71.2
641.44745	31.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.53
Annotation	Unknow
Peak:m/z	Relative Intensity
61.38731	1.5
64.66603	1.7
65.03928	1.8
67.05492	70.6
67.05846	3.1
69.03403	4.4
69.06710	2.9
69.07058	47.6
71.04959	7.5
79.05471	67.1
81.03400	19.4
81.07035	94.5
83.04969	13.1
83.08593	14.5
84.83775	1.6
85.06541	4.1
87.04428	2.2
91.05460	84.2
93.07020	69.8
95.01293	9.3
95.04944	18.8
95.08582	49.8
97.06516	26.2
97.10143	8.0
97.51210	1.8
101.35909	1.8
103.05461	2.3
105.07011	100.0
107.04945	22.2
107.08557	36.3
109.06495	11.2
109.10120	14.0
111.08070	3.6
113.09589	1.9
117.06983	26.8
119.08553	50.1
121.06483	8.2
121.10136	21.9
123.04396	3.0
123.08053	8.5
123.11686	4.0
124.99843	2.1
129.07031	3.9
131.08563	35.2
133.06488	2.1
133.10098	50.7
135.08023	3.9
135.11652	16.2
137.09593	2.6
141.06981	2.5
143.08577	4.1
145.10104	29.1
147.11646	20.2
149.09624	13.3
149.13228	4.4
151.11194	3.6
155.08493	1.8
157.10092	7.1
159.11684	20.1
161.13229	7.4
163.11122	8.3
165.09065	2.1
171.11621	2.5
173.09526	2.5
173.13251	2.1
177.12685	2.6
179.14278	12.4
184.07239	7.7
185.13217	3.2
187.11201	1.9
191.14212	2.0
239.17915	2.3
251.16388	4.0
251.65108	2.4
255.15842	7.1
257.19025	3.0
269.17392	22.2
275.19992	62.5
278.54794	2.2
283.01962	4.3
283.06213	4.2
291.19409	3.3
293.21066	3.0
349.23679	38.6
356.41351	2.3
365.23068	2.5
367.24640	8.7
413.21661	2.4
529.35291	23.2
543.36761	97.4
582.28003	2.2
623.42780	29.4
641.43329	11.6
687.40460	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	838.5303
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03931	4.7
67.05491	65.1
69.03410	11.5
69.06710	3.8
69.07053	48.9
71.04979	4.4
79.05475	74.7
81.03395	14.6
81.06601	3.7
81.07043	85.4
83.04958	11.5
83.08629	20.3
83.09045	2.2
85.02869	4.9
89.19948	2.1
91.04957	4.2
91.05469	80.7
92.08660	4.4
92.64117	2.3
93.07024	78.2
93.07572	4.5
94.21339	2.6
95.01293	2.5
95.04964	26.1
95.08588	45.7
97.02850	3.7
97.06495	18.3
97.10143	11.5
105.04618	2.7
105.07011	100.0
107.04930	28.8
107.08569	43.6
109.06477	10.0
109.10150	23.5
111.08067	9.3
117.06993	23.8
119.04934	3.3
119.08556	63.0
121.06499	5.4
121.10136	19.6
123.08042	5.2
125.09616	10.8
128.06158	2.8
129.06973	16.4
131.08565	36.7
133.06471	3.0
133.10115	50.0
135.08012	4.3
135.11661	14.7
137.09544	4.5
141.06920	4.0
143.08542	14.9
145.06491	3.0
145.10146	28.7
147.08072	3.7
147.11668	27.2
148.83827	2.5
149.09613	11.0
149.13274	5.9
151.11107	3.5
155.08543	4.2
157.10109	14.7
159.11674	20.5
161.13199	11.9
169.10112	4.5
171.11656	9.7
173.13239	4.9
175.11061	3.5
177.22278	2.7
179.14319	4.2
181.09938	2.6
183.11679	3.4
184.07336	5.8
185.13260	4.0
185.29497	2.4
195.11691	3.2
199.14783	3.3
223.13295	11.7
227.12541	2.9
241.19460	10.4
249.14812	2.8
257.19122	2.9
259.20526	17.6
273.18481	9.8
275.20026	26.9
283.01819	4.0
291.19501	60.5
305.96878	3.2
333.24115	23.6
349.23822	17.3
365.23138	14.4
525.35315	9.3
529.34851	10.2
537.08282	2.9
543.36646	38.3
623.43121	42.0
641.43665	14.1
687.39227	3.2
788.17542	2.7
788.39520	5.9
873.05701	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	838.5299
Annotation	Unknow
Peak:m/z	Relative Intensity
58.92720	3.4
67.05489	94.7
69.03403	5.1
69.07057	28.2
71.04977	8.1
74.68177	3.0
79.05471	91.0
79.05901	5.2
81.03392	5.2
81.07037	79.5
83.04951	15.8
83.08590	6.2
85.06545	22.7
86.09698	6.3
91.05454	88.6
93.07021	83.6
95.04951	80.7
95.08586	41.6
97.06517	13.2
105.07008	87.7
107.04932	18.6
107.08573	49.5
109.06514	73.5
109.10133	16.8
111.08031	6.2
113.06008	41.0
115.05457	4.8
117.06995	31.7
119.08562	62.5
121.06470	7.7
121.10123	27.6
123.08055	5.6
125.09608	5.9
127.44212	3.7
128.06128	3.8
129.06985	19.6
130.07806	3.6
130.87149	2.9
131.08534	53.2
132.27699	3.7
133.06473	6.4
133.10114	40.8
135.08017	49.8
135.11662	19.0
143.08569	23.0
145.10089	33.7
147.08035	6.6
147.11671	22.4
149.09612	15.7
157.10107	16.0
159.11690	23.1
161.09624	7.5
161.13318	6.5
163.11076	5.8
171.11697	7.1
173.13243	8.0
174.64693	4.7
183.11533	3.9
184.07339	15.1
187.11217	4.2
197.13138	5.2
199.14806	4.7
217.15787	13.0
241.19327	3.5
257.19104	6.8
259.20599	6.0
273.18423	20.9
275.19971	14.8
291.19418	51.4
293.21085	4.9
302.97574	3.5
333.24191	23.1
336.85876	4.6
347.21970	6.2
349.23608	15.5
365.23132	17.0
605.41705	16.3
623.42902	100.0
641.43756	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	838.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
60.58274	5.1
62.70360	4.2
67.05490	89.5
67.91946	4.8
69.03408	6.2
69.07041	26.4
71.04942	5.3
79.05476	60.6
79.31181	4.4
81.03401	100.0
81.07033	61.8
83.04947	25.0
83.08603	12.2
85.06557	6.9
91.05451	61.3
92.08597	9.9
93.07027	50.9
95.04939	41.9
95.08569	31.8
97.02869	5.3
97.06436	7.5
97.10166	10.7
102.69995	4.5
105.07008	37.9
107.04929	23.5
107.08577	35.2
109.06537	18.4
109.10150	70.0
111.08086	6.8
117.07011	10.5
119.08540	48.4
121.06471	8.9
121.10134	10.0
129.07022	10.4
131.08539	29.6
133.10114	7.5
137.09570	7.5
143.08586	7.9
145.10072	25.9
147.07990	19.2
147.11684	20.6
149.02316	7.6
149.09523	5.7
157.10081	11.5
158.82182	4.3
159.11800	5.0
163.11116	7.8
173.11676	7.4
175.11154	6.5
193.12178	31.2
227.12616	6.0
229.14267	22.3
236.09589	5.6
267.15845	68.3
399.23535	6.9
421.25729	9.9
458.26648	6.8
476.27441	7.5
665.46533	6.0
708.80853	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	838.4779
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	1.9
61.02909	2.7
65.03921	1.7
67.05489	78.9
68.05817	1.2
69.03406	7.4
69.07053	30.5
71.01323	2.0
71.04976	10.6
73.02887	2.2
79.05472	51.9
80.06249	1.0
81.03397	100.0
81.07036	73.8
81.07531	1.3
82.07395	1.1
83.04955	19.9
83.08604	32.9
85.02905	8.2
85.06522	2.4
91.03919	1.8
91.05460	52.5
92.05811	1.3
93.07016	49.3
94.07339	1.2
95.04941	43.1
95.08582	28.6
97.02863	12.3
97.06497	11.3
97.10145	17.6
99.04438	1.8
99.08086	2.8
103.05470	1.7
105.06386	1.5
105.07008	40.7
107.04930	21.4
107.08572	32.3
109.02847	4.6
109.06505	15.0
109.10133	26.8
111.04415	7.1
111.08057	13.2
115.05420	1.8
116.04703	5.0
117.06981	15.5
118.13833	1.1
119.04869	1.9
119.08559	36.6
121.06464	14.0
121.10116	18.8
123.04411	6.6
123.08038	8.9
123.11670	6.1
125.05960	1.3
125.09580	13.1
127.11140	1.3
128.06171	1.6
129.05476	12.8
129.06969	16.7
131.08533	23.9
133.06462	11.0
133.10101	15.6
135.04414	1.2
135.08006	8.4
135.11647	8.2
136.13074	1.2
137.09584	16.1
142.07831	2.2
143.07082	2.3
143.08522	5.8
144.09320	1.2
145.06474	5.1
145.10104	13.2
147.08002	11.8
147.11671	18.6
149.09592	12.9
149.13243	4.3
151.11086	1.2
153.00563	1.3
153.08992	1.6
153.12732	4.6
154.17867	1.0
155.08508	2.0
155.10625	1.6
157.08577	8.2
157.10101	15.3
159.08046	4.7
159.11635	6.3
161.05983	1.2
161.09628	5.1
161.13271	1.4
163.11142	11.2
165.09132	2.0
165.12712	5.8
169.10136	1.2
171.10226	3.6
171.11569	1.9
173.09595	5.0
173.11699	7.0
173.13091	1.5
175.11171	17.8
177.12743	1.6
181.12154	2.5
183.11673	1.7
185.13211	1.8
187.11133	1.7
189.11165	2.6
191.10596	2.0
193.12192	28.2
195.13724	1.7
201.14716	1.8
205.12231	1.5
209.11642	1.7
211.13249	2.8
219.13760	1.3
221.11681	2.7
223.13219	1.5
227.10762	1.2
227.12590	9.7
229.14301	15.5
240.99438	1.3
267.15848	61.8
269.17361	8.4
270.17798	1.7
273.18408	10.1
275.20068	1.8
283.15347	7.2
285.16766	4.7
287.16205	1.1
289.17923	2.0
291.19498	6.6
295.15115	1.3
313.16327	1.5
321.16800	2.1
327.19516	1.8
345.20392	2.2
347.22086	2.3
349.19876	1.6
359.21997	2.2
365.23187	5.5
399.23685	18.1
419.24130	2.2
421.25638	12.3
443.27716	2.3
447.27399	1.5
461.28909	18.2
463.27710	1.3
477.28226	5.9
477.70737	1.4
478.28397	10.6
479.29694	30.3
493.31409	4.8
539.33606	2.6
541.34924	7.5
555.33154	2.5
557.34607	20.3
559.36359	1.5
573.34351	2.0
591.35132	61.6
592.35162	1.8
623.35437	1.3
644.24487	1.2
783.61212	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	838.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
58.64432	0.4
59.04984	0.9
59.76828	0.4
61.02912	11.7
64.32534	0.4
65.03907	1.1
67.05491	41.3
69.03426	4.7
69.07051	13.9
71.04967	4.9
73.02902	3.6
79.05475	32.3
81.03398	41.4
81.07036	56.5
83.04515	0.7
83.04965	12.7
83.08601	21.2
85.02887	26.1
85.06516	3.2
87.04443	0.4
91.03931	6.0
91.05460	33.5
92.09270	1.0
93.07025	34.3
94.07297	0.5
95.04940	21.9
95.07999	0.8
95.08581	15.6
95.83083	0.4
97.02872	8.0
97.06513	6.5
97.10113	3.1
99.04433	1.0
99.08112	1.5
103.05448	0.5
105.06360	0.9
105.07018	19.4
107.04934	5.4
107.08572	19.2
108.08895	0.4
109.02891	0.7
109.06501	4.4
109.10144	3.8
111.04413	2.2
111.08050	8.5
113.05989	2.4
115.05424	0.7
117.06986	6.7
119.04960	0.5
119.08557	13.8
121.06485	2.5
121.10117	13.5
121.74934	0.4
123.08039	2.2
123.11694	4.7
125.09564	0.9
127.03909	2.0
129.06978	7.3
131.04942	0.6
131.08543	13.6
133.06470	2.3
133.10110	14.2
135.08070	1.6
135.11662	6.0
137.09590	0.9
141.06938	0.5
142.07710	0.9
145.04944	1.0
145.10123	2.1
147.08061	2.1
147.11659	10.4
149.09641	4.4
149.13228	10.0
151.11154	1.9
157.10091	11.5
159.11676	6.8
163.05940	0.7
163.11127	0.7
165.12686	0.9
175.11153	10.0
177.12750	2.0
193.12202	25.0
195.13783	6.9
211.13263	19.2
211.15273	0.5
225.12663	0.5
237.80771	0.4
251.16524	0.6
267.15863	10.8
269.17422	27.9
281.08029	1.0
285.16919	15.5
319.16006	0.5
413.21317	0.6
433.29520	0.4
443.27924	3.5
461.22318	1.0
461.28897	33.4
479.29950	100.0
480.30316	2.4
594.02826	0.5
605.32629	0.6
623.34412	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	838.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04989	0.6
61.02911	11.3
65.03925	0.8
67.05489	48.0
69.03417	4.8
69.07051	16.7
71.01330	0.6
71.04967	6.0
73.02898	3.4
79.05471	36.1
81.03394	44.8
81.07034	62.3
83.04958	13.2
83.08601	22.8
85.02885	24.1
85.06522	3.7
91.03928	6.6
91.05457	28.7
91.05914	0.4
93.07017	45.6
94.07336	0.4
95.04943	18.8
95.08577	18.2
97.02876	8.5
97.06501	10.2
97.10145	3.9
99.04430	0.9
99.08064	2.8
101.02399	0.4
103.93422	0.5
105.07008	19.1
107.04922	4.8
107.08569	26.3
109.06498	5.5
109.10129	3.6
111.04405	2.2
111.08061	10.6
111.11682	0.5
113.05986	1.8
115.05416	1.0
117.06987	7.9
119.04911	0.6
119.08554	14.7
121.06479	2.8
121.10110	16.8
123.08045	2.7
123.11684	1.8
125.06030	0.5
125.09623	1.5
127.03888	2.4
127.07494	0.6
129.06964	7.6
131.08531	13.3
133.06482	2.2
133.10098	12.9
135.08038	0.9
135.11659	6.2
137.09602	1.9
139.11182	0.8
142.07748	1.0
145.04895	0.8
145.10060	0.9
147.08032	2.7
147.11659	11.8
149.09601	5.9
149.13226	18.8
151.11172	0.8
157.10094	9.9
159.11647	8.1
159.70042	0.4
163.05983	1.6
163.11179	0.8
165.12732	2.5
167.14343	0.5
170.25102	0.4
175.11130	10.7
177.12712	3.6
193.12201	29.1
195.13763	7.6
211.13252	23.6
213.14917	0.6
227.13025	0.4
264.09192	0.4
267.15839	14.8
269.17407	50.2
270.17609	0.5
273.86523	0.5
285.16901	17.0
435.27411	0.8
443.27884	2.0
461.28879	41.9
462.29303	0.6
479.29935	100.0
480.30252	2.3
521.99310	0.4
605.33099	0.5
623.34473	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	837.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05487	27.1
67.37273	2.3
69.03399	2.9
69.07059	16.0
71.04977	2.6
79.05475	54.0
81.03391	4.4
81.07038	100.0
81.93446	2.4
83.04964	15.3
83.08606	18.3
91.05450	31.2
93.07018	31.0
95.04936	32.8
95.08593	16.9
97.10131	5.3
99.04385	3.5
103.05434	2.3
105.06981	18.7
107.04936	14.6
107.08580	22.4
109.06506	42.1
109.10152	4.4
111.04406	11.2
111.08069	3.9
114.37423	2.1
117.06986	17.0
119.08553	30.2
121.06475	10.0
121.10130	10.8
123.08075	2.9
123.79440	2.1
124.19017	2.8
125.09550	3.0
129.06975	5.7
131.08557	16.0
133.06444	2.9
133.10117	12.8
135.08080	8.2
135.11673	9.9
143.08537	2.8
145.10107	22.4
147.08025	13.1
149.09583	15.7
157.10060	4.3
159.08047	2.9
159.11682	5.6
161.09531	3.4
163.11159	12.0
171.11740	2.2
223.13264	4.9
226.01961	2.4
249.14839	4.2
257.19040	4.9
273.18439	17.7
275.20087	15.0
276.02826	2.2
291.19464	48.6
293.21075	4.5
347.22009	5.4
349.23727	10.3
365.23138	9.9
367.24741	13.6
472.74365	2.3
477.94299	2.8
621.41217	4.9
639.41882	24.4
657.43457	18.5
837.43781	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	836.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
65.28254	1.9
67.05490	48.9
69.07056	35.0
79.05472	37.9
81.03403	9.5
81.07034	69.1
81.07477	3.9
83.04961	10.1
83.08610	4.5
85.06536	2.5
86.09681	2.9
91.05458	72.3
93.07021	49.1
95.01318	9.3
95.04932	15.4
95.08582	33.0
97.06509	20.7
103.05473	2.3
105.07012	100.0
107.04939	25.4
107.08575	30.4
109.06488	7.4
109.10134	28.1
111.08047	2.9
113.05971	2.4
114.15846	2.1
117.07025	14.1
119.08556	41.2
121.06496	4.1
121.10105	9.2
123.08008	2.5
123.11637	3.0
129.06989	2.8
131.08542	21.6
132.51851	2.0
133.06488	3.3
133.10109	65.0
135.08003	7.7
135.11700	7.2
137.09659	2.0
142.65587	1.7
143.08537	4.4
145.10112	12.0
147.08064	2.3
147.11647	12.7
149.09593	9.4
149.13281	2.8
151.11143	13.4
155.08437	2.3
157.10173	2.9
159.11647	7.0
161.09676	2.4
161.13193	2.6
163.11177	4.5
171.11707	2.0
173.13173	2.5
179.14247	9.5
184.07320	2.0
185.13182	2.2
253.14276	41.6
257.19119	2.9
273.18442	9.9
275.20053	44.7
291.19470	13.0
301.12790	1.8
347.22104	8.9
349.23703	20.8
365.23169	18.4
370.07846	1.7
394.70636	2.1
545.34265	8.1
621.41058	11.4
639.42542	72.9
859.10339	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	836.5146
Annotation	Unknow
Peak:m/z	Relative Intensity
58.18497	3.5
63.92392	3.5
67.05505	42.6
69.07060	37.7
70.93494	3.0
72.92309	2.9
79.05477	46.9
81.03387	5.3
81.07047	41.8
83.04949	6.6
83.08603	6.5
85.06541	4.8
86.09702	4.7
86.91908	3.5
91.05454	46.7
93.07042	36.8
95.01314	7.2
95.04955	16.1
95.08585	24.2
97.02856	5.0
97.06506	33.6
97.10164	5.5
101.17068	2.9
105.07025	55.5
107.04937	19.5
107.08569	19.2
109.10102	13.1
117.07008	18.0
119.08568	29.6
121.06500	4.0
121.10072	5.0
123.08004	5.0
125.09663	3.9
129.07004	3.5
131.08514	25.7
133.10100	25.4
135.11664	5.4
145.10117	12.0
147.11685	14.4
149.09688	3.8
159.11623	5.2
163.11195	3.8
172.15326	3.9
179.14244	5.1
184.07324	6.5
223.13239	15.9
258.38120	3.4
273.18301	5.2
275.20007	44.7
291.19489	56.3
298.56549	3.8
349.23593	18.8
365.23148	32.6
639.42456	100.0
703.04517	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	836.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
60.60394	1.6
61.64075	1.6
65.03942	2.4
67.05494	40.7
69.03410	4.8
69.07054	47.2
79.05466	40.1
81.03390	11.3
81.07032	44.4
83.04961	9.5
83.08624	8.6
91.05457	51.4
92.09332	2.5
93.07019	36.9
95.01331	4.5
95.04953	17.7
95.08585	24.1
97.02867	10.9
97.06501	25.8
97.10158	11.4
105.07011	75.5
107.04935	22.3
107.08572	25.5
109.06507	4.2
109.10162	8.7
111.08010	2.8
117.06236	2.4
117.06992	19.8
119.08566	39.9
121.10130	8.4
125.09602	8.6
129.07005	3.4
131.08533	21.0
133.10098	33.4
135.08020	3.9
135.11714	3.0
145.10132	17.0
147.08017	2.9
147.11656	10.6
149.09665	9.0
149.13261	2.7
157.10182	3.4
159.11688	9.1
163.11212	3.0
171.11784	2.8
175.11125	2.0
179.14250	8.5
184.07344	9.4
187.11246	2.6
223.13251	14.0
239.31842	2.2
257.18826	2.2
273.18359	4.2
275.20016	38.8
291.19495	49.2
349.23605	19.7
365.23193	33.6
621.40833	7.7
639.42493	100.0
657.43903	2.3
827.94482	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	836.4994
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	100.0
69.03391	15.3
69.07044	22.6
71.04970	19.7
79.05479	74.1
81.03398	70.7
81.07035	91.4
83.04964	22.5
83.08615	22.2
85.02901	9.8
91.05463	65.0
92.92777	4.4
93.07024	54.0
95.04946	32.5
95.08560	31.8
97.02865	17.0
97.06499	22.0
97.10161	10.7
99.04421	5.4
105.07004	51.1
107.04939	24.9
107.08576	31.0
109.06507	8.1
109.10156	19.3
111.08105	6.5
117.07028	20.4
119.08545	34.8
121.06460	8.8
121.10133	15.3
123.08025	7.4
125.09602	17.6
128.06371	4.1
129.05473	4.3
129.06960	7.4
130.81070	4.3
131.08527	19.2
133.10129	8.7
135.08035	9.0
135.11662	20.1
145.10095	17.8
147.11647	17.9
149.09621	10.3
157.10001	4.9
159.11707	6.3
163.11078	6.0
173.04454	4.4
175.11182	7.0
176.94734	4.0
186.68562	4.3
193.12167	6.6
211.13318	5.5
211.61177	4.1
227.12723	4.8
259.84747	4.8
267.15585	7.6
267.41812	4.4
275.19998	6.8
301.16354	4.8
337.86285	4.6
349.23624	5.8
387.64523	5.1
477.28546	6.7
491.10867	5.0
575.35736	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	836.4982
Annotation	Unknow
Peak:m/z	Relative Intensity
59.85075	2.3
67.05489	57.7
69.03406	12.0
69.07043	23.0
71.04968	6.3
79.05476	46.0
80.09235	2.4
81.03400	35.0
81.07036	100.0
83.04947	17.1
83.08590	15.8
85.02877	5.0
91.05460	42.0
93.07018	42.8
95.04955	25.9
95.08599	24.1
97.02878	12.4
97.06501	12.6
97.10133	9.7
99.08075	3.5
105.07009	32.5
107.04940	18.8
107.08568	19.5
109.06493	22.0
109.10133	14.8
111.04421	4.5
111.08070	5.3
117.06984	6.6
119.08556	35.6
121.06506	12.6
121.10125	16.4
123.08064	11.6
123.11676	4.5
125.05951	3.0
125.09574	6.6
129.05466	3.4
129.06972	4.9
131.08531	11.7
133.10100	19.1
135.08017	3.5
135.11691	4.2
137.09561	4.5
143.08531	5.5
145.10124	10.8
147.08038	3.3
147.11697	20.2
149.09647	3.9
157.10117	5.0
159.11694	4.2
163.11188	5.9
165.12703	3.7
173.04353	6.5
175.11179	3.1
211.91534	3.1
229.14352	4.0
267.15863	6.0
275.20059	28.7
291.19479	4.6
293.20999	3.5
349.23672	12.6
503.33450	16.6
521.34497	13.1
541.35223	3.4
557.34027	4.8
575.35516	12.9
593.36462	12.4
630.19556	3.2
716.22150	3.6
854.99213	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	836.4995
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04972	2.4
65.03931	4.0
67.05138	3.9
67.05489	94.8
69.03427	23.6
69.07056	32.1
69.15051	2.3
71.01368	2.2
71.04982	19.2
73.02885	5.1
79.05470	83.9
80.71951	2.1
81.03400	77.9
81.07037	76.4
83.04963	36.3
83.08601	40.8
85.02892	18.8
85.06512	3.3
91.05460	69.5
93.07018	64.7
95.04947	100.0
95.08581	47.7
97.02855	21.2
97.06501	20.2
97.10120	26.2
98.03642	13.2
99.04430	11.5
99.08057	4.5
103.05448	2.5
105.07014	60.7
106.18318	2.4
107.04932	45.6
107.08577	42.0
109.02866	7.9
109.06493	22.6
109.10139	31.8
110.07232	4.2
111.04416	18.5
111.08057	13.3
113.06021	3.7
116.04707	3.0
117.06999	24.9
119.08553	51.0
121.06497	17.8
121.10126	30.9
123.04388	2.3
123.08046	20.1
123.11707	4.4
125.05984	3.8
125.09601	23.7
127.03869	9.3
127.07510	3.9
128.06151	4.3
129.05444	18.5
129.06970	10.2
130.07813	2.7
131.08533	32.0
133.10092	23.0
135.08017	12.1
135.11678	19.4
137.05902	2.6
137.09587	5.3
143.08530	9.8
145.10103	37.2
147.08022	13.5
147.11650	20.9
149.09612	36.3
151.11157	2.6
153.09077	3.8
153.12744	3.0
155.08542	4.1
157.08609	4.4
157.10060	13.3
159.08040	3.4
159.11623	9.0
161.09595	4.4
161.13197	3.3
163.11157	37.3
165.12814	3.1
169.10098	3.9
171.11577	3.2
173.04451	15.4
173.09572	5.2
173.11723	3.2
173.13219	5.1
175.11172	3.0
177.12697	3.8
181.12183	3.2
187.11134	5.4
189.11226	11.0
189.12750	2.5
191.10483	7.4
193.12202	5.1
199.06018	9.5
209.11731	8.3
211.13216	8.8
215.22752	2.2
223.13243	24.3
227.12706	10.7
229.14268	10.7
239.17941	2.6
257.18948	5.7
267.15799	10.4
273.18375	9.0
275.20035	52.0
283.15268	9.2
291.19397	22.8
293.21078	27.4
301.16400	9.3
331.22238	2.8
349.23495	22.1
353.97247	2.1
367.24924	15.9
411.20020	2.8
443.25552	2.7
445.20663	4.4
503.33316	9.7
521.34576	43.4
557.34662	5.6
559.35413	4.6
575.35419	18.9
593.37006	17.8
703.40295	4.8
721.41296	8.5
737.40021	10.7
740.80066	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	836.4267
Annotation	Unknow
Peak:m/z	Relative Intensity
59.05000	1.1
61.02913	18.4
65.03922	0.9
67.05488	36.2
69.03419	6.0
69.07059	11.4
71.01351	1.3
71.04974	5.5
71.84658	0.9
73.02882	4.5
79.05471	37.2
81.03395	83.6
81.07033	51.9
83.01319	4.0
83.04954	17.6
83.08596	30.4
85.02888	29.4
85.06524	1.7
91.03910	8.7
91.05463	36.6
93.07017	36.8
95.04947	34.2
95.05399	0.8
95.08571	18.1
97.02863	10.8
97.06500	8.9
97.10148	9.8
99.04419	1.9
105.04524	0.9
105.07008	28.6
107.04934	12.5
107.08569	24.3
107.22471	0.9
108.84422	0.9
109.02859	2.0
109.06509	9.9
109.09489	0.9
109.10131	7.8
111.04426	4.8
111.08065	9.8
113.05990	1.2
115.05431	1.6
117.06973	10.7
119.08542	20.0
121.06487	5.1
121.10117	14.0
123.04386	1.2
123.08018	7.4
123.11679	1.5
125.09628	4.9
127.03911	1.6
129.06975	14.0
131.08551	17.7
133.06468	4.2
133.10088	18.9
135.04373	0.9
135.08057	4.0
135.11662	6.1
135.38319	0.9
137.09546	3.2
142.07788	3.9
143.08536	1.5
145.04927	1.7
145.06476	4.9
145.10086	11.0
147.08051	5.2
147.11642	12.4
149.09602	7.0
149.13268	4.3
151.11194	2.2
153.12770	1.6
155.08690	1.1
157.10072	12.7
159.11687	3.5
161.09549	1.1
162.89992	1.0
163.05989	1.3
163.11163	13.0
165.09158	1.5
165.12724	1.6
169.10205	1.0
171.11646	1.2
173.09633	1.3
175.11139	12.5
177.82698	1.0
181.12225	1.2
189.11082	1.0
191.10657	1.0
193.12198	29.8
195.11789	1.1
195.13770	3.4
209.11630	1.4
211.13248	10.8
227.12679	2.2
229.14201	1.0
253.14252	1.2
255.13730	1.5
267.15836	57.2
269.17407	12.9
273.14914	2.2
273.18304	1.3
283.15302	16.4
285.16898	8.4
291.19595	3.6
341.21176	1.1
365.23190	1.8
367.22543	4.3
385.23584	5.6
403.24423	1.0
433.25830	7.8
441.26187	4.4
443.71640	1.0
459.27325	38.0
477.28363	100.0
478.28491	1.9
575.35406	5.9
593.36212	2.0
621.31848	1.3
668.86566	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	832.5414
Annotation	Unknow
Peak:m/z	Relative Intensity
58.04195	2.0
59.23992	1.7
63.10112	2.1
67.05148	5.0
67.05486	57.5
69.03417	10.7
69.07049	28.8
71.01368	2.1
71.04962	2.5
71.08617	29.7
73.35313	2.0
78.66434	2.6
79.05472	57.1
81.03397	12.6
81.07031	100.0
83.04961	17.9
83.08588	29.7
85.02892	9.5
85.10167	16.5
91.05448	38.6
92.09309	9.4
93.07017	35.8
95.01309	2.3
95.04940	25.6
95.08594	41.3
97.06524	5.5
97.10149	39.8
99.04415	2.6
105.07008	24.2
107.04302	2.1
107.04920	19.4
107.08571	26.7
109.06510	13.8
109.10132	18.9
111.04436	16.4
111.08073	4.8
117.07006	14.8
119.08562	32.3
121.06488	10.6
121.10105	16.2
123.08018	27.2
123.11707	3.4
125.09599	23.4
129.07011	10.7
130.07625	2.4
131.08522	16.2
133.06479	4.9
133.10124	12.7
135.08060	11.4
135.11671	15.8
137.09576	3.6
143.08540	9.1
145.10085	19.6
147.08025	9.3
147.11670	9.1
149.09612	10.9
153.09076	3.8
153.12799	4.7
157.10127	5.2
159.11664	4.1
161.09610	11.4
163.11125	24.2
165.09055	3.6
173.09595	4.5
175.11079	4.8
181.12198	13.6
183.11580	2.1
185.13239	2.5
189.11214	17.1
191.10609	3.1
223.13216	4.2
227.12709	16.3
239.23807	2.8
273.18420	34.3
276.72549	2.2
285.69119	2.2
291.19464	58.4
300.84912	2.4
309.20547	5.6
313.27271	84.3
313.64868	2.9
341.68466	2.3
347.22058	10.0
365.23148	45.7
383.24084	22.6
585.43958	2.7
603.46008	83.9
621.47107	58.5
831.50732	11.3
832.51782	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	835.395
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04998	2.3
61.02900	2.6
67.05491	56.4
68.08895	1.4
68.35651	1.6
69.03415	31.5
69.07046	9.0
71.01366	2.4
71.04964	10.7
73.02901	9.2
79.05473	47.4
81.03398	100.0
81.07040	43.7
83.04958	28.1
83.08606	24.3
85.02891	39.5
85.06519	2.9
91.05464	43.8
93.07011	30.7
95.04940	41.6
95.08588	19.3
97.02862	25.1
97.06519	7.4
97.10149	13.4
99.04449	3.6
101.02343	2.4
105.07018	30.9
107.04940	23.4
107.08573	13.7
109.02862	13.3
109.06506	7.1
109.10126	26.1
111.04436	14.0
111.08063	10.7
115.05447	2.0
116.04691	7.1
117.07004	8.0
119.08562	26.8
121.06462	6.0
121.10107	13.3
123.04398	8.8
123.08047	3.0
125.09607	8.8
127.03907	13.1
129.05482	15.1
129.06985	13.7
131.08543	12.9
133.06451	3.8
133.10098	11.0
135.04437	6.5
135.08043	3.4
135.11656	8.3
137.09563	2.2
142.07739	2.4
145.10117	4.1
147.08020	3.4
147.11702	16.5
149.09615	9.1
151.07614	1.9
157.08803	2.5
157.10124	17.1
163.11153	8.0
165.12714	3.7
173.04443	7.7
173.11671	2.8
175.11137	15.4
181.12289	1.9
189.11171	3.2
193.12210	34.8
199.13242	3.2
209.11710	8.1
209.96257	1.8
211.13255	46.7
217.07101	2.6
227.12854	9.0
229.14424	3.6
267.15878	16.4
283.15384	8.6
285.16882	13.4
301.16425	11.6
409.26279	2.1
421.25751	2.8
429.21255	3.0
438.69733	2.2
439.26791	31.3
475.26822	3.5
493.27713	10.8
511.28955	4.0
655.33356	17.5
835.38422	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	830.5534
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06588	0.6
60.07916	0.5
60.08153	8.8
67.05479	0.7
71.07361	4.2
81.07031	1.0
86.09689	46.4
91.05441	0.7
93.07012	1.1
98.98453	3.8
104.10706	3.2
119.08576	0.8
124.99971	31.7
131.01651	0.4
133.10078	0.7
143.01062	0.5
145.10092	0.6
145.47433	0.4
184.07301	100.0
258.79480	0.5
454.91153	0.5
484.44327	0.5
569.42944	0.6
650.97095	0.5
712.44843	3.4
794.52026	1.9
812.54327	8.1
830.53662	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	831.4705
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.6
67.05504	7.0
69.03413	3.8
69.07029	0.9
72.63103	0.8
73.02894	4.8
81.03401	1.8
81.07041	1.3
83.04985	1.0
85.02901	8.7
86.09692	1.0
91.03949	4.3
95.08592	1.2
97.02867	7.2
109.10150	6.3
127.03915	3.2
133.60713	0.8
134.54344	0.8
168.17581	0.8
173.11731	1.3
184.07327	1.0
189.06708	1.0
234.97137	0.9
243.08398	1.5
279.11035	1.0
347.09402	1.9
366.51974	0.9
396.18964	0.9
405.13684	5.8
413.17737	11.4
439.67752	0.8
497.30801	5.0
575.22839	7.4
591.86194	0.9
659.36243	5.3
669.42212	1.8
784.03363	0.9
831.46838	100.0
832.46838	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	829.5064
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	2.3
61.02916	6.1
62.13870	0.3
67.05487	5.7
69.03418	3.3
69.07059	1.8
71.07351	0.8
73.02892	3.8
79.05478	7.8
81.03418	1.7
81.07043	5.2
83.08611	0.4
85.02891	6.6
86.04372	0.4
86.09684	11.2
87.10021	0.5
91.03932	3.0
91.05471	5.9
93.07027	7.6
95.04971	0.7
95.08578	4.7
97.02876	5.1
98.98444	0.7
99.04443	0.8
101.02373	2.0
105.07007	6.4
107.08558	3.0
109.02865	0.8
109.10138	0.8
117.07003	1.7
119.08570	5.5
121.10104	1.5
122.10696	0.4
124.99981	9.4
125.92615	0.4
127.03860	0.8
128.24036	0.4
131.08571	2.5
133.10117	2.5
135.11711	1.6
145.10146	1.7
147.11685	2.0
149.13289	0.5
151.35487	0.4
159.11720	1.8
161.13177	0.8
161.73500	0.4
179.99107	0.4
184.07300	21.2
185.04189	2.1
185.07703	0.8
241.06796	0.6
243.08389	5.1
259.20554	0.8
291.11215	0.4
301.08890	3.2
313.09036	0.7
315.10538	1.5
317.20993	1.5
322.73795	0.5
373.11447	0.5
383.17227	0.6
385.18600	0.5
390.31134	0.4
397.18481	0.6
429.26678	0.6
465.21164	2.2
489.40442	0.4
489.48328	0.6
525.22937	1.8
535.28705	18.7
607.30963	2.0
759.43323	0.5
829.50562	100.0
830.50952	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	829.506
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	6.0
67.05479	9.5
69.03407	4.2
69.07060	1.6
71.45549	0.9
73.02904	5.2
76.56254	0.8
79.05482	5.5
79.62264	0.9
81.03386	1.4
81.07027	8.0
83.04953	0.9
83.08607	1.9
85.02911	8.6
86.09651	1.4
89.23968	1.0
91.03940	1.6
91.05438	3.7
92.08680	2.4
93.07035	9.2
93.07539	1.3
93.58278	1.0
95.08585	5.5
97.02892	2.1
97.10147	3.5
99.04465	1.0
101.02368	1.8
105.07015	4.3
107.08599	5.3
109.86703	0.9
113.81171	1.0
119.08632	2.1
121.10125	1.9
125.09667	2.2
127.03876	1.0
131.08574	1.7
133.10153	1.3
145.10078	1.1
159.11679	1.1
184.07352	1.9
189.11263	1.1
204.73381	0.9
243.08484	2.2
333.20340	11.2
519.29407	6.3
551.28326	4.0
828.49280	2.1
829.50488	100.0
830.50586	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	830.5285
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08155	4.2
62.62916	3.8
67.05486	57.4
69.07055	53.3
71.05028	4.4
71.07358	5.3
71.08612	33.5
79.05481	49.9
81.07044	94.0
83.04968	17.1
83.08611	20.1
85.10175	27.6
86.09703	19.1
91.05460	52.1
92.09021	23.4
93.07041	66.8
95.04963	17.2
95.08597	57.6
97.10122	16.9
99.00717	4.5
105.07010	55.2
107.04959	6.6
107.08586	48.4
109.02882	6.9
109.06518	8.9
109.10154	21.9
117.06992	10.5
119.08585	40.8
120.08858	4.8
121.06470	7.6
121.10132	15.3
125.00002	16.8
125.09621	6.1
131.08549	17.5
133.10124	25.8
133.52791	4.9
134.10524	5.5
135.08041	17.5
135.11685	6.8
137.09508	5.9
145.10110	17.1
147.11731	7.8
154.37830	4.2
157.10068	6.2
159.11707	17.7
161.09593	5.6
163.07506	5.9
184.07301	55.9
193.12238	19.9
221.55331	4.2
227.12698	7.7
262.34973	4.3
287.37909	4.5
289.17838	25.4
294.93719	5.0
313.27292	100.0
315.85495	4.2
381.22659	92.8
619.45660	87.2
706.05847	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	827.4909
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	7.6
67.05494	22.9
67.47043	0.9
69.03420	6.4
69.07059	5.5
71.01340	1.2
71.04996	1.5
73.02900	4.1
79.05481	19.5
80.05802	1.5
81.03426	1.5
81.07045	29.0
81.07526	1.2
82.07395	1.8
83.04975	1.8
83.08627	4.4
84.59196	0.9
85.02878	7.7
86.09701	1.9
91.03962	3.9
91.05462	17.2
92.05820	1.1
92.09038	2.2
93.07018	23.7
94.07381	1.6
95.00426	1.1
95.04970	7.0
95.08601	16.1
97.02879	6.1
97.06570	1.9
99.04465	1.5
101.02357	1.4
105.07023	19.0
105.07657	1.3
106.07334	1.2
107.08598	15.5
109.06518	2.3
109.10169	4.6
117.07010	6.9
119.08566	11.6
120.08894	1.6
121.10163	6.6
123.08066	1.5
123.11697	2.2
125.09656	1.1
127.03901	1.5
129.07011	1.7
131.08583	6.3
133.10106	10.0
135.11708	5.7
143.08455	1.2
145.10130	5.5
147.11719	4.0
149.09535	1.0
149.13266	2.1
157.10103	2.4
159.11736	5.1
161.09756	1.1
161.13190	1.9
163.11162	1.1
171.11705	1.5
173.13318	1.6
174.13673	1.2
183.11682	1.4
184.07329	2.3
213.16458	1.3
243.08424	1.6
304.46436	1.1
313.17657	1.8
324.04245	1.1
331.18726	2.4
335.25928	1.1
337.27420	1.3
348.41779	1.1
369.06094	1.1
519.29333	8.0
532.40485	1.3
613.46552	1.3
809.48077	9.5
827.48969	100.0
828.49207	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	829.5068
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02914	6.4
67.05495	6.7
69.03413	3.8
69.07057	2.6
71.01323	0.4
73.02516	0.6
73.02901	4.9
75.73557	0.3
79.05476	5.3
81.03419	2.2
81.07036	7.6
83.04988	0.5
83.08615	0.4
85.02892	5.2
87.04465	0.5
91.03951	3.6
91.05471	3.5
93.07027	5.9
95.04953	1.4
95.08589	4.9
97.02877	5.0
97.06522	0.8
99.04431	0.4
99.93812	0.4
101.02377	2.4
105.07005	3.0
107.08568	3.3
109.02893	0.6
109.06474	0.4
109.10188	2.1
109.94678	0.4
117.07034	1.5
119.08566	3.0
121.10147	1.9
127.03896	1.7
131.08585	1.8
133.10109	1.5
135.11705	1.3
145.10162	0.8
147.11711	0.5
159.11636	0.5
184.07300	0.5
185.04340	0.4
185.36249	0.4
243.08337	3.3
267.00787	0.4
313.45410	0.4
333.20340	2.7
335.25864	0.4
439.19537	1.3
453.21170	0.6
519.29236	6.8
551.28204	4.5
829.50568	100.0
830.50958	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	827.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
58.13430	1.0
61.02906	7.2
64.44317	0.9
67.05495	24.4
69.03418	5.5
69.07049	10.3
69.10143	0.9
73.02893	5.8
79.05476	15.6
80.05784	1.0
81.03424	4.4
81.07035	31.4
82.07352	1.1
83.04969	2.2
83.08607	3.8
85.02884	6.8
86.09715	1.4
91.03964	1.4
91.05447	17.1
92.05795	1.0
93.07021	24.7
94.07349	1.2
95.04930	11.5
95.08577	18.9
97.02886	7.3
97.06483	2.1
97.10159	1.4
99.04436	1.6
100.87659	1.1
101.02413	1.2
105.07012	19.1
106.07324	1.7
107.04941	1.1
107.08585	17.9
108.08891	1.4
109.06530	1.8
109.10120	7.5
111.04453	1.9
111.08045	1.3
114.73340	1.0
117.06994	4.5
119.08562	16.7
120.08910	1.2
121.10116	9.5
123.08088	2.0
123.11703	1.5
125.09599	2.0
129.06958	1.2
131.08556	6.7
133.10101	10.6
135.11693	6.6
143.08594	4.7
145.10144	6.4
147.11717	4.9
149.09639	2.2
151.11172	1.3
157.10106	2.2
159.11703	6.5
161.13246	2.4
163.11223	1.6
166.90488	1.1
167.95210	1.0
169.10133	1.8
171.11702	1.7
173.13235	2.2
174.18721	1.1
175.14835	1.4
184.07317	1.8
187.14848	1.1
230.19633	1.3
243.08467	5.6
275.20084	4.8
276.20187	1.1
289.18933	1.1
331.18747	4.7
335.25681	1.6
337.27325	2.1
400.89032	1.1
519.29431	4.8
529.39630	1.5
549.26782	2.4
629.47534	5.1
630.48102	2.6
827.48944	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02911	5.5
61.30839	0.4
65.85876	0.5
66.15296	0.5
67.05138	0.8
67.05485	10.1
69.03412	4.3
69.07042	2.7
71.04987	0.9
73.02907	5.3
76.56198	0.7
79.05476	7.6
81.03404	2.5
81.07035	9.4
83.08617	1.2
85.02894	4.8
91.03952	2.9
91.05470	4.4
93.07012	7.3
94.77016	0.5
95.04935	0.9
95.08584	6.1
97.02884	5.3
97.06504	0.6
97.10133	0.6
101.02401	0.9
105.07010	4.2
107.08569	4.2
109.02898	0.7
109.10157	3.5
115.03941	0.5
116.50932	0.5
117.07034	0.8
119.08584	2.9
121.10144	2.7
125.09541	0.5
127.03918	0.8
131.08586	2.4
133.10127	2.1
135.08023	0.6
135.11682	1.2
138.80835	0.5
142.06932	0.5
145.10233	0.6
147.11679	0.8
161.13248	0.7
165.12729	0.7
184.07318	1.0
185.04259	0.7
243.08403	2.2
261.22345	0.7
270.69562	0.6
295.22702	0.7
331.18765	3.9
335.25687	2.2
408.51868	0.5
479.20767	0.7
519.29211	7.7
549.26544	2.6
562.40363	0.6
603.77289	0.6
629.47937	1.0
630.48035	0.8
827.48956	100.0
828.49426	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	827.4903
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02905	4.2
67.05500	5.3
69.03427	2.9
69.07052	3.5
73.02886	3.7
79.05479	5.7
81.03394	0.9
81.07026	5.0
83.04975	0.5
85.02896	4.2
85.06514	0.4
86.09676	0.8
91.03963	3.0
91.05459	5.6
93.07016	5.9
94.56771	0.4
95.08576	4.0
97.02863	3.7
97.12035	0.4
101.02382	0.9
105.07008	5.7
105.58749	0.4
107.04955	0.7
107.07965	0.5
107.08570	3.6
109.10166	2.6
115.03854	0.5
117.07016	1.0
119.08540	4.0
121.10165	1.8
123.08067	0.5
127.03887	0.9
127.84091	0.5
131.08562	1.8
133.10114	3.7
135.11714	2.0
145.10130	0.9
147.11722	0.9
149.09618	0.9
159.11749	0.8
159.38214	0.5
161.13333	0.6
163.11136	0.5
170.28154	0.4
179.14366	1.1
184.07324	1.9
185.04236	0.6
186.31502	0.5
203.05135	0.5
229.14424	0.6
238.15741	0.4
240.25873	0.4
243.08267	4.2
250.14938	0.5
259.08057	0.5
275.20105	0.7
301.08932	0.9
315.10522	0.6
315.19226	5.1
317.20819	0.6
327.48401	0.6
343.21866	0.6
355.22824	0.5
371.22000	1.9
371.76379	0.5
401.54587	0.5
410.89944	0.5
450.58685	0.5
468.38068	0.6
495.22223	0.5
513.25446	0.5
533.27057	10.5
535.28741	6.9
573.44580	0.5
605.29822	2.0
768.58417	0.5
827.48969	100.0
828.49377	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	827.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02906	5.4
67.05491	6.9
69.03418	3.8
69.07053	2.5
71.04999	0.6
73.02885	6.2
73.18206	0.6
74.57772	0.5
79.05465	6.7
81.03414	0.7
81.07037	10.8
83.04970	1.4
85.02879	6.5
86.09699	1.0
91.03956	3.0
91.05466	3.5
93.07013	7.2
95.04966	1.3
95.08562	4.5
97.02861	6.0
97.10175	0.8
97.69585	0.6
99.04421	0.8
101.02368	0.9
105.07040	3.9
107.08599	4.6
109.06511	1.2
109.10146	2.7
111.04411	0.5
114.04319	0.6
117.06999	0.8
119.08599	3.8
121.10150	3.8
123.08038	0.7
125.00013	0.7
131.08565	2.3
133.10114	2.7
135.11725	1.0
145.10136	1.1
147.11682	1.0
149.13268	0.9
159.11636	0.9
173.13310	0.8
176.07834	0.6
184.07401	3.3
184.42433	0.6
185.04189	0.7
226.27548	0.6
243.08392	2.8
331.18820	4.9
377.52753	0.6
387.21515	0.8
426.05933	0.6
519.28833	6.9
549.26489	5.3
752.98907	0.7
757.88824	0.7
797.67194	0.7
827.48969	100.0
828.49524	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	827.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02919	5.8
61.29289	0.2
65.03925	0.2
67.05494	6.3
67.83762	0.2
68.05832	0.2
69.03419	4.3
69.07063	3.2
71.04995	0.4
73.02897	4.1
79.05471	4.8
79.76348	0.2
80.05788	0.2
81.03406	2.1
81.07039	6.9
82.07388	0.3
83.04995	0.4
83.08608	0.6
85.02882	5.3
87.04471	0.3
91.03937	3.6
91.05461	3.0
92.09312	0.9
93.07027	4.8
95.04965	1.4
95.08591	4.2
97.02872	5.3
97.10174	0.9
99.04411	0.7
101.02336	1.8
105.07001	2.6
107.08572	3.1
108.08939	0.4
109.02897	0.9
109.06486	0.4
109.10161	1.5
117.07034	0.5
117.22540	0.2
119.08595	1.8
121.10136	2.3
123.08081	0.3
125.09650	0.5
127.03931	1.5
131.08583	1.1
133.10132	1.2
135.11722	1.0
145.04970	0.2
145.10146	1.0
147.11699	0.5
159.11604	0.2
184.69617	0.2
184.82182	0.2
185.04240	0.9
203.05396	0.4
223.13281	0.5
243.08342	3.6
275.20270	0.3
284.55142	0.3
291.19653	1.0
299.42841	0.3
329.28568	0.2
331.18774	2.5
335.25952	1.1
336.26236	1.0
344.08221	0.2
347.01035	0.2
514.69946	0.3
519.29205	7.6
549.26678	3.4
591.31543	0.3
612.45117	0.3
629.46533	0.3
642.84821	0.3
661.22339	0.3
770.80176	0.3
827.49011	100.0
828.49408	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4018
Annotation	Unknow
Peak:m/z	Relative Intensity
59.74031	1.3
59.82659	1.2
61.02914	8.2
61.07741	1.0
67.05489	5.1
69.03413	2.2
73.02907	5.1
79.05489	7.3
81.03403	3.3
81.07048	7.5
83.01107	1.5
85.02907	6.8
91.03947	5.8
91.05487	2.7
93.07055	5.3
95.08561	2.8
97.02896	7.1
97.06496	1.7
101.02370	1.6
105.06996	2.9
107.04896	5.1
107.08570	3.1
109.02898	1.5
109.10144	3.0
119.08587	1.8
121.10186	2.1
127.03851	2.2
129.05481	2.5
131.08522	1.9
135.11693	1.4
184.07327	5.0
185.04245	13.9
201.03722	6.0
243.08484	9.1
253.54948	1.7
301.08884	30.2
301.12021	1.3
313.09030	1.4
315.10605	5.4
327.10690	2.3
341.12091	2.1
348.23624	1.4
353.04727	1.3
365.23074	2.2
373.11096	7.4
383.16779	2.1
385.18350	15.7
401.17770	2.1
423.20364	1.7
443.19107	2.7
455.18991	2.0
457.20255	1.9
467.18762	2.6
469.20605	6.0
499.21317	2.1
527.21063	3.0
541.22388	3.2
583.31299	2.4
596.31964	1.8
611.30408	6.1
625.28394	5.6
669.30975	1.8
709.37958	1.9
782.27521	1.8
827.42151	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	827.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02921	5.3
67.05482	17.1
69.03424	6.3
69.07049	3.7
73.02929	3.3
79.05480	6.8
81.03403	4.8
81.07043	6.6
84.48558	3.1
85.02905	11.6
91.03945	3.3
91.05465	5.0
93.07038	3.6
94.96577	2.5
95.04973	3.3
95.08599	3.1
97.02885	3.9
101.02399	2.6
105.07050	5.4
107.04954	5.1
107.08601	4.1
109.10116	11.8
118.86152	3.4
121.10112	3.0
133.10170	3.4
143.21707	2.9
157.10077	3.0
162.61246	2.9
169.99799	2.8
173.11743	3.9
184.66287	2.8
194.39859	2.6
214.05643	3.1
219.37392	2.8
268.07010	3.7
270.58884	3.2
285.10260	4.1
333.20221	3.8
349.17068	3.2
410.80600	3.2
413.17758	14.3
439.19159	3.5
499.21014	4.0
501.22937	12.9
551.27826	10.5
699.35492	11.7
723.39221	64.8
741.35809	4.1
768.88824	3.5
827.43335	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	826.5153
Annotation	Unknow
Peak:m/z	Relative Intensity
58.84870	0.7
59.04985	5.1
60.08147	5.1
61.02912	17.4
67.05489	90.7
69.03404	4.2
69.04806	0.7
69.07051	9.9
71.04967	4.4
71.07349	2.9
71.08248	1.0
71.08616	21.9
73.02905	5.4
75.56538	0.7
79.05462	3.9
81.03386	0.7
81.07038	23.9
83.08598	15.0
85.02885	16.7
85.06514	1.1
85.10163	13.1
86.09692	33.7
91.03926	10.5
91.05468	9.4
93.07021	8.1
95.04939	1.6
95.08585	23.9
97.02867	8.6
97.06503	0.7
97.10153	3.7
98.98456	1.8
99.04431	0.8
104.10709	3.0
105.07018	4.0
107.08571	4.6
109.06519	0.9
109.10139	100.0
111.08055	3.8
117.07028	0.8
119.08554	9.4
121.10140	1.7
123.11694	4.6
124.99980	25.8
125.09638	0.7
127.03906	3.0
127.14471	0.7
129.07010	0.8
131.08578	1.6
133.10135	1.2
135.11702	0.9
137.09569	5.4
137.13194	1.0
140.39348	0.7
145.04942	3.2
145.10080	1.1
147.11780	0.9
155.10635	5.6
157.10095	0.9
159.11720	1.5
163.05943	3.0
167.11545	0.7
173.11697	26.0
173.13179	0.9
184.07295	69.7
185.07669	0.8
229.14305	89.3
239.23721	1.4
245.84554	0.8
255.44354	0.8
257.24658	1.6
293.64072	0.8
313.27295	82.4
314.27731	1.1
320.89969	0.8
467.37201	62.9
826.51398	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	825.4753
Annotation	Unknow
Peak:m/z	Relative Intensity
58.79623	0.5
59.59917	0.5
60.08141	0.8
61.02909	3.9
64.68451	0.7
67.05488	6.7
69.03423	1.6
69.07043	6.1
73.02891	3.3
78.15231	0.7
79.05475	4.6
81.03403	3.1
81.07030	7.5
83.04951	0.8
83.08565	0.9
85.02893	4.4
86.09690	6.8
91.03957	1.8
91.05471	6.3
93.07027	6.7
95.01334	1.4
95.08598	4.8
97.02892	2.8
97.06496	1.1
98.43027	0.9
105.06995	8.8
105.49162	0.7
107.04951	2.7
107.08602	4.9
109.06549	0.7
109.10157	1.5
117.06984	1.4
119.08562	5.2
121.10091	2.8
125.00002	3.8
131.08601	2.7
133.10139	3.6
145.10057	1.8
147.11662	1.7
149.09584	1.0
157.10129	0.8
159.11693	1.7
163.11212	1.3
179.14299	1.5
184.07312	12.3
193.12184	0.8
220.03076	0.8
243.08444	4.1
275.20096	2.7
285.18610	0.8
315.19299	7.9
371.22092	3.0
386.97305	0.8
533.27173	21.8
825.47394	100.0
826.47742	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	824.551
Annotation	Unknow
Peak:m/z	Relative Intensity
61.02898	3.1
65.03915	4.0
67.05489	96.1
67.42352	0.7
69.03416	9.4
69.07050	34.3
71.04966	5.5
72.52206	0.7
73.02892	2.0
74.63029	0.6
76.88361	0.7
79.05471	74.3
81.03403	10.6
81.07034	100.0
83.04963	11.3
83.08599	14.0
85.02883	5.0
85.06508	4.7
86.09674	1.4
91.05459	58.7
92.08621	1.7
93.07018	91.6
93.69703	0.8
95.04939	15.0
95.08582	60.5
97.02876	5.7
97.06502	14.9
97.10143	6.0
99.08067	3.1
105.04485	1.4
105.07007	43.1
105.80390	0.8
107.04954	6.0
107.08572	45.5
109.02850	1.1
109.06525	7.3
109.10139	19.1
111.08071	4.3
115.05398	1.1
117.06992	20.1
119.08552	28.3
121.06481	4.0
121.10120	26.5
123.08035	5.2
123.11662	5.8
125.09595	3.4
127.03844	2.0
129.06966	6.6
130.07780	1.0
130.91832	0.8
131.08546	26.1
133.10094	23.2
135.07977	4.0
135.11662	23.2
137.09595	3.5
137.13191	0.8
141.06924	1.4
142.07698	0.9
143.08531	6.3
145.10088	17.3
147.08006	1.2
147.11667	12.1
149.09570	8.6
149.13220	12.5
151.11160	1.2
155.08495	3.4
157.10085	4.3
159.11655	14.4
161.13220	5.3
163.11093	6.0
163.14766	1.8
165.12755	1.0
169.10088	1.8
171.11681	3.1
173.13185	9.1
175.14809	1.5
177.11301	0.8
177.12737	4.2
179.14301	1.0
183.11649	1.6
184.07356	6.1
185.13187	3.2
187.14816	1.9
189.76926	0.9
195.13814	4.4
197.13329	1.1
201.16396	1.0
210.01225	0.8
227.12688	1.3
233.18901	0.8
239.17847	1.4
243.20918	1.0
247.20407	1.1
255.15874	7.8
257.18942	5.1
261.22131	7.0
267.15961	1.0
269.17404	20.6
275.20035	17.7
293.21072	1.0
317.63232	1.1
331.22556	1.3
335.25726	73.1
336.26331	1.0
349.23624	16.4
367.24771	3.4
455.34924	1.0
515.37262	17.4
529.38782	74.5
530.38806	1.3
569.41534	4.3
609.45123	21.3
627.45697	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	824.5513
Annotation	Unknow
Peak:m/z	Relative Intensity
60.03958	0.6
61.02905	4.0
65.03927	3.5
67.05490	71.0
69.03410	1.4
69.07052	22.6
71.04980	2.8
71.08617	0.9
73.02882	1.1
76.56385	0.8
77.03910	1.0
79.05473	67.2
81.03410	1.1
81.07034	59.2
83.04955	4.1
83.08602	10.5
85.02902	4.8
85.06512	2.7
86.09702	0.9
87.83078	0.7
91.05458	70.4
92.09290	2.7
93.07023	71.9
95.04942	8.9
95.08582	50.9
97.02883	3.3
97.06474	4.8
97.10158	5.3
99.08049	1.0
103.05457	2.8
105.04469	1.0
105.07011	75.6
107.04922	2.8
107.08577	34.5
107.80627	0.6
109.06509	5.5
109.10134	19.8
111.08072	1.2
112.33237	0.7
115.05421	4.9
116.06160	0.8
117.06997	35.7
119.08558	50.3
121.06522	1.1
121.10124	23.1
123.08012	0.9
123.11686	5.3
125.09575	1.2
128.06177	5.5
129.05496	0.9
129.06978	22.7
130.07777	4.8
131.08543	44.1
133.06464	0.9
133.10109	34.9
135.08046	0.9
135.11665	12.0
137.13252	0.9
139.11148	0.7
141.06970	7.9
142.07747	5.7
142.40543	0.6
143.08534	25.8
144.09302	0.9
145.10101	38.5
147.11658	22.1
149.09647	2.6
149.13228	6.4
153.06984	3.1
154.07762	1.2
155.08527	18.1
156.09302	2.5
157.10095	23.3
159.11668	24.7
161.09666	0.9
161.13220	10.9
163.11102	0.7
163.14703	2.3
165.07013	1.5
166.07719	1.0
167.08493	8.1
168.09346	2.8
169.10085	19.7
170.10840	1.1
171.11647	19.0
173.13200	15.8
175.11247	0.9
175.14803	4.4
177.12776	1.2
179.08534	3.0
180.09261	1.4
181.10085	11.7
182.10892	1.1
183.11647	18.7
184.07343	2.4
184.12347	1.0
185.13206	16.4
187.11107	0.8
187.14751	6.0
189.16318	3.0
192.09306	0.8
193.10110	3.1
194.10814	0.7
195.11696	8.7
196.12387	1.3
197.13193	13.1
199.14792	9.3
201.16266	1.5
203.18005	0.9
205.09984	1.0
207.11667	3.0
209.13205	6.9
211.14767	7.3
213.16379	6.2
215.17969	1.5
221.13231	4.4
223.14804	5.6
225.16336	6.4
227.17937	3.3
229.19431	1.3
231.11597	0.9
233.13196	0.9
235.14725	3.1
236.15588	0.7
237.16397	3.6
239.17897	3.8
241.19432	3.0
249.16327	0.9
251.17848	3.1
253.19647	1.0
255.17302	1.0
257.18945	6.0
259.20551	7.6
261.22034	1.1
265.19455	1.5
283.20590	1.2
285.22009	0.9
295.20450	0.7
309.21884	1.6
321.22040	0.7
323.23563	1.2
325.25235	0.8
331.22571	0.7
333.24396	5.0
335.25696	3.9
337.25128	1.5
351.26849	1.4
363.26697	1.1
407.29556	1.1
420.94479	0.9
483.35495	0.8
487.34125	1.3
488.93939	0.7
495.34952	0.8
515.36926	1.1
517.40356	9.8
529.39722	0.9
535.41345	3.7
539.36920	1.6
581.42865	0.8
591.43774	7.8
609.45050	100.0
610.45209	3.8
621.44556	1.4
735.48694	0.7
745.67651	0.8
753.49225	1.1
771.49811	4.4
820.37683	0.8
835.55249	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.66857	1.7
65.03922	2.7
67.05141	3.3
67.05489	89.7
69.03400	7.8
69.07050	26.8
71.04971	2.6
79.05473	100.0
81.03376	4.3
81.07037	87.6
83.04970	10.4
83.08594	36.7
85.02868	3.1
85.06498	2.0
85.57933	1.7
86.09685	2.7
91.05457	58.6
93.07021	82.6
95.04916	13.5
95.08582	52.1
97.06515	8.3
97.10149	54.3
105.04511	2.8
105.07012	53.6
107.04926	8.3
107.07872	3.3
107.08575	91.0
109.02870	2.8
109.06487	10.5
109.10129	29.4
115.05341	1.8
117.06998	18.8
119.08556	31.9
121.10130	36.2
123.08018	2.5
123.11684	3.7
125.00030	2.4
125.09597	40.9
127.03869	3.0
128.10056	1.8
129.07013	7.8
131.08542	24.4
133.10097	23.9
135.08035	8.1
135.11684	14.4
143.08517	8.0
145.10104	24.8
147.11650	18.3
149.09589	4.6
153.09090	3.6
157.10089	8.0
159.11668	15.3
161.13272	4.0
169.10001	2.4
171.11623	3.3
173.13266	6.7
184.07321	4.4
187.14754	3.4
189.11111	20.7
190.73608	2.0
197.13200	2.3
227.12669	35.5
257.18930	8.5
259.20663	2.5
261.22052	8.4
275.19946	20.7
277.76788	1.9
326.53873	2.1
331.22540	2.5
333.23788	2.9
335.25720	63.0
338.17828	2.2
349.23734	25.4
505.34964	19.0
609.44983	72.7
626.44177	2.8
627.46021	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	824.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04968	1.3
60.47631	1.3
61.02914	2.2
65.03918	2.4
66.45985	1.4
67.05491	82.6
67.05850	3.1
69.03423	10.2
69.07054	26.6
71.04980	2.7
78.28309	1.3
79.05473	100.0
81.03379	2.1
81.07036	80.2
83.04970	9.1
83.08602	36.4
85.02868	2.8
85.06536	3.7
91.05463	50.5
93.07021	76.3
94.07338	1.7
95.04949	11.3
95.08583	47.9
97.02855	1.8
97.06511	2.7
97.10146	62.0
97.10753	2.4
103.05424	1.9
105.07011	44.6
107.04955	2.2
107.08574	88.5
109.02873	1.5
109.06508	6.5
109.10139	24.8
111.08091	2.0
117.06978	15.7
119.08553	31.2
121.10115	22.7
122.80910	1.4
123.08029	1.8
123.11679	5.8
125.09600	59.1
127.03915	2.2
129.06984	2.6
131.08540	24.6
133.10112	27.9
135.08037	7.1
135.11678	15.9
143.08546	9.9
145.10104	24.5
147.11685	19.6
148.27663	1.5
149.09612	8.6
149.13226	7.2
153.09094	2.9
155.08492	1.5
157.10078	3.3
159.11734	15.7
161.13243	6.5
169.10123	2.6
171.10197	2.8
171.11691	7.1
173.13217	8.1
176.70010	1.4
183.11617	1.8
185.13266	3.6
187.14772	2.5
189.11183	25.3
189.12761	2.3
201.16267	2.1
213.16443	1.5
217.81998	1.3
227.12730	72.9
241.19460	1.6
243.21086	1.6
245.13455	1.4
257.18939	11.6
261.22086	12.6
275.19983	45.3
317.24646	1.8
331.22607	5.3
333.24329	2.2
335.25742	52.7
349.23621	45.1
351.25400	2.4
389.17841	6.4
461.64047	1.7
487.34015	2.5
491.97214	1.9
505.35211	8.7
550.47308	1.7
609.45050	72.3
610.45325	2.0
627.45844	18.8
757.43481	1.7
825.46655	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	824.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04969	2.0
61.02907	2.4
67.05492	100.0
69.03407	7.2
69.07056	31.3
69.60091	1.5
71.04979	7.6
73.02898	2.9
79.05473	66.2
81.02930	3.5
81.03397	95.7
81.03874	3.4
81.07037	86.0
83.04958	17.7
83.08601	30.6
85.02875	9.5
85.06507	6.3
86.05134	1.6
91.05459	54.7
92.63787	1.7
93.07023	58.7
95.04945	48.6
95.08578	32.3
97.02871	8.7
97.06504	11.0
97.10159	20.3
99.04419	2.2
99.08069	7.4
102.44269	1.6
103.05434	2.2
105.07014	51.9
107.04926	20.6
107.08582	45.1
109.02881	1.8
109.06508	18.9
109.10130	58.4
111.04395	4.1
111.08103	13.3
111.41663	1.9
117.07006	19.0
119.08559	49.0
121.06463	10.1
121.10098	22.9
123.04401	2.3
123.08022	9.4
123.11697	3.2
125.09621	19.1
127.03873	1.9
128.06213	2.0
129.06973	23.1
131.08565	31.7
133.06470	9.4
133.10089	21.5
135.08035	10.0
135.11658	19.8
137.09586	13.1
137.63293	1.6
139.07486	2.6
142.07686	2.5
143.07103	2.8
143.08546	8.6
143.62726	1.9
145.06435	3.5
145.10117	21.7
147.08060	8.4
147.11667	27.0
149.09618	19.0
151.11177	1.8
155.08563	3.6
157.10097	18.5
159.08044	2.8
159.11642	11.0
161.09598	4.1
163.11168	14.2
165.12691	3.0
169.10121	2.1
171.11691	3.1
173.11700	11.4
173.13211	3.9
175.11154	16.0
183.11693	3.3
185.13231	2.5
189.11147	8.0
189.12775	1.9
191.10658	2.5
193.12228	35.7
195.11658	3.2
211.13266	3.7
227.12810	4.5
229.14275	24.5
249.14790	2.4
255.15773	7.2
267.15863	75.9
269.17386	6.5
275.19946	10.8
291.19550	3.3
300.48431	1.8
305.06635	1.8
349.23553	9.9
365.23184	2.3
367.24625	11.2
369.24097	2.5
399.23849	2.0
403.24744	2.5
421.20505	3.1
421.25735	47.0
422.27158	1.7
443.27576	3.6
447.27756	13.5
461.28915	37.4
465.28418	30.8
493.31589	15.2
541.35095	35.7
547.29272	2.3
557.34326	3.4
559.36182	52.5
591.35876	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	824.4263
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04972	1.5
61.02911	12.3
64.05254	1.2
67.05138	2.2
67.05491	53.3
67.29499	1.0
69.03409	5.2
69.07056	15.5
71.01339	1.9
71.04974	6.4
73.02908	2.1
78.54277	1.0
79.05473	52.3
81.03400	67.9
81.06590	2.1
81.07034	38.0
83.04961	22.8
83.08605	27.7
85.02889	28.2
85.06519	2.7
91.03934	6.4
91.05454	39.4
92.00093	1.0
92.09328	2.6
93.07017	59.0
95.04941	28.4
95.08580	12.8
97.02872	9.8
97.06514	11.2
97.10143	11.7
99.04361	1.2
99.08083	1.9
105.06998	22.6
107.04949	8.5
107.08569	39.2
109.06516	6.3
109.10128	6.3
111.04477	1.2
111.08038	7.7
113.05993	1.2
113.59161	1.0
115.05452	1.2
117.07011	5.9
119.08549	24.0
121.06498	4.6
121.10136	14.4
123.08074	2.0
123.11630	1.5
125.09552	1.5
127.03877	1.8
129.06975	12.5
130.07805	1.2
131.08574	12.5
133.06488	1.9
133.10066	13.0
135.11664	41.7
137.09572	1.3
142.07800	2.1
145.10101	9.1
147.08080	1.4
147.11678	13.9
149.09589	5.7
153.12614	1.7
157.10109	15.4
163.11157	5.3
175.11179	17.8
181.12178	5.1
184.07236	1.5
193.12186	35.1
211.13249	34.9
222.31123	1.1
249.14696	1.4
255.15865	53.6
267.15866	22.5
278.45868	1.1
285.16885	23.9
421.25827	4.7
447.20908	1.3
447.27313	78.6
465.28424	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.4174
Annotation	Unknow
Peak:m/z	Relative Intensity
59.04981	3.2
60.04503	2.7
61.02916	11.4
64.33498	2.2
65.03949	2.1
67.05495	86.2
69.03415	11.9
69.07062	27.5
71.04973	12.1
73.02892	3.8
79.05473	83.9
79.37322	2.2
81.03389	56.0
81.07037	100.0
83.04958	31.0
83.08605	30.1
85.02879	27.5
85.06562	2.3
91.03925	5.3
91.05457	80.9
91.07683	2.7
93.07021	66.5
94.94363	2.3
95.04942	53.1
95.08585	35.4
97.02869	14.6
97.06510	17.0
97.10130	17.0
98.07275	4.8
105.07008	61.5
107.04929	28.0
107.08571	34.9
109.06508	18.5
109.10141	39.6
110.10494	2.9
111.04436	4.7
111.08044	5.4
115.05486	3.7
116.04691	13.7
117.07003	23.4
119.08549	50.5
119.61620	2.2
121.06445	8.8
121.10123	24.0
123.08028	16.5
123.11787	2.5
125.09603	11.5
128.06226	4.0
129.05455	31.0
129.06955	23.0
131.08521	27.6
133.06493	5.1
133.10103	23.0
135.08038	9.3
135.11670	11.2
142.07774	5.6
143.07016	4.5
143.08586	9.6
145.06488	2.5
145.10159	24.3
147.08025	11.8
147.11667	23.8
149.09566	17.9
149.13135	3.7
157.08589	20.6
157.10092	16.7
159.11684	5.5
161.09630	10.2
161.13185	3.1
163.11182	13.9
165.12640	3.4
169.10115	3.6
171.10229	3.5
171.11652	4.2
173.11740	2.6
173.13336	2.9
175.11174	21.4
185.13168	3.4
193.12183	27.2
199.13274	3.6
200.14032	3.0
211.13232	30.7
227.12700	5.6
229.14223	3.4
267.15848	11.6
269.17413	3.1
273.18417	14.9
281.17456	11.6
283.15228	2.6
285.16928	32.6
291.19501	16.5
301.16370	30.3
326.87885	2.3
332.57916	2.9
345.16742	3.3
349.23691	4.0
351.25208	5.1
372.62357	2.7
383.19812	13.6
401.20825	16.1
417.20261	22.4
427.27014	2.7
439.27036	21.6
591.35364	3.0
593.32745	3.9
609.31299	19.8
610.32526	3.6
627.33020	36.5
715.43860	2.7
771.44983	2.7
824.43634	10.6
836.07538	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	824.3335
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03919	5.3
66.55942	0.6
67.05497	1.1
69.03436	2.2
71.05011	0.7
75.04471	4.3
76.32767	0.8
78.04692	2.8
79.05472	5.9
81.03424	2.4
82.04195	1.0
85.02890	8.6
91.05465	14.5
93.03381	9.8
93.07028	5.8
95.04938	8.6
97.02878	1.0
97.06514	3.4
102.04636	0.6
103.05450	22.5
105.03369	1.0
105.04522	1.1
105.07014	10.4
106.04168	25.2
107.04944	13.9
109.02866	0.8
109.06505	2.5
110.03661	1.3
111.04443	1.3
115.05444	6.1
117.06985	5.2
118.04131	5.7
119.04943	3.0
121.06487	29.6
123.04391	5.8
123.08088	0.7
124.05201	3.5
125.05967	10.8
127.03948	1.0
127.56221	0.6
129.06955	1.1
130.04128	1.5
131.04915	22.4
131.08504	1.2
132.05682	1.3
133.02814	1.4
133.06476	14.0
134.03647	4.6
135.04391	2.7
135.08037	1.3
137.05949	7.0
138.03134	1.2
138.06760	1.0
139.07552	2.7
141.06969	1.1
142.02643	0.8
143.04974	1.4
143.06070	0.8
144.05707	2.6
145.02846	1.3
145.06451	7.2
146.03667	0.8
146.07246	0.7
147.04379	1.2
147.08040	3.4
148.05177	17.9
149.05965	50.5
151.03862	4.3
151.07570	3.6
152.04684	1.1
153.05466	4.4
153.09088	11.9
153.48885	0.7
156.05688	0.7
157.06569	0.7
159.08055	2.4
160.05197	1.0
161.05957	12.7
163.03899	2.9
163.07518	29.4
165.05479	1.2
165.09059	0.9
166.02516	0.7
166.06229	0.8
167.07010	68.0
171.06520	4.7
173.05963	7.5
175.07562	4.1
176.04683	3.4
177.05434	25.3
177.09074	0.9
179.06993	1.3
179.08556	0.7
181.04932	76.5
181.08527	19.5
182.05493	0.7
185.05728	0.7
187.07532	3.7
187.96837	0.6
189.05466	0.7
189.09097	0.9
190.06155	2.1
191.07002	74.0
192.07584	1.2
193.04955	0.9
193.08594	4.8
195.06496	3.3
201.05429	0.7
202.06360	0.8
203.07043	3.7
205.08530	4.5
207.06458	1.3
207.10100	1.4
209.08061	100.0
215.31046	0.7
217.08543	2.4
219.10214	3.1
229.08394	0.7
233.07977	5.0
235.07658	1.7
235.09642	2.5
236.08212	1.0
245.08038	1.2
246.06656	0.6
249.82773	0.6
252.07750	1.1
263.09097	13.9
265.08542	0.8
267.10144	3.2
279.09976	0.8
280.07291	0.8
281.23453	0.7
295.09586	1.2
323.09308	0.9
325.10657	3.3
337.10703	0.7
357.13168	4.1
360.63300	0.6
367.11578	0.9
381.13358	0.8
385.12827	8.1
399.14276	3.2
417.15381	24.9
478.12231	0.6
499.11603	0.7
651.77222	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	5.0
58.47134	0.9
65.03905	1.1
67.05488	29.3
67.47444	0.9
69.03405	1.3
69.07047	7.6
71.04943	0.8
79.05006	1.0
79.05475	46.6
81.03401	3.7
81.07038	100.0
82.36476	0.9
83.04957	7.1
83.08603	5.5
85.02898	3.5
86.09670	0.9
91.05459	24.0
93.07018	26.5
93.07568	1.5
95.04940	11.9
95.08588	19.6
97.06529	1.7
97.10161	5.6
105.07015	18.4
107.04957	5.4
107.08576	13.5
109.06505	36.4
109.10133	8.4
111.04442	7.1
111.08077	1.7
117.06982	9.6
119.08564	24.9
121.06500	5.7
121.10134	12.7
123.08041	4.7
123.11696	0.9
125.09644	3.9
128.61086	0.9
129.07019	4.5
131.08553	12.2
133.06447	1.6
133.10152	6.5
135.08047	1.8
135.11668	6.1
143.08560	3.9
145.10115	12.4
147.08006	8.2
147.11646	2.2
149.09641	4.9
150.84402	0.8
152.81291	0.9
153.12761	1.5
157.10168	3.9
159.07973	1.3
159.11649	5.5
161.09639	6.6
163.11171	5.7
166.91910	0.9
171.11740	1.1
182.82224	1.0
184.07312	4.0
185.13269	1.3
249.14841	1.6
255.17445	1.1
273.18408	8.6
275.19940	0.9
291.19492	27.0
335.25732	27.2
347.22104	4.0
348.21701	1.2
365.23221	10.2
386.15997	0.9
601.88617	1.0
607.43622	10.2
624.42932	1.2
625.44531	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	822.5848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	0.8
57.07058	0.3
58.06599	0.3
58.69297	0.2
59.09278	0.2
60.07858	0.4
60.08149	9.1
67.05489	4.0
69.03419	0.3
69.07063	2.0
71.07355	4.0
71.21329	0.2
73.08459	0.2
79.05470	3.8
81.07038	5.7
83.04955	0.4
83.08578	0.4
86.09689	45.0
91.05457	2.5
93.07022	3.0
95.04932	1.7
95.08568	2.5
97.02853	0.2
97.10139	0.8
98.98441	4.1
104.10739	3.0
105.07003	1.2
107.04906	0.8
107.08563	1.6
109.06509	1.7
109.10110	0.8
117.06999	0.4
117.85889	0.2
119.08559	1.2
121.10152	1.0
123.08026	0.2
124.99979	31.8
125.09631	0.2
126.38527	0.2
127.81659	0.2
129.07039	0.3
130.37717	0.2
131.08528	0.8
133.10042	0.7
135.08080	0.2
135.11652	0.3
143.01028	0.5
145.10123	0.9
149.09592	0.3
157.10130	0.2
159.11679	0.3
161.09688	0.2
169.09952	0.3
173.13126	0.3
176.46782	0.2
184.07304	100.0
185.07628	0.4
223.13275	0.8
273.18451	0.4
291.19482	3.7
335.25684	3.4
347.21945	0.3
365.23221	1.7
373.66904	0.2
607.43018	1.1
625.44391	3.6
649.08398	0.2
650.43964	2.0
704.48499	4.8
754.53088	0.9
772.55005	2.8
786.55145	0.3
790.54767	1.2
799.18610	0.3
804.56409	0.4
822.58441	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	822.5349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	3.3
58.45678	0.7
65.03915	3.4
67.05488	31.3
69.03407	1.7
69.07049	9.7
71.04974	1.5
79.05467	46.8
81.03397	1.5
81.07033	100.0
83.04967	7.6
83.08594	7.3
85.02875	4.3
87.38721	0.9
90.61594	0.8
91.05460	20.1
92.09274	1.5
93.06427	0.9
93.07018	28.0
95.04953	12.8
95.08572	19.9
97.06477	3.5
97.10113	6.2
105.06994	15.4
105.07645	0.9
107.04939	5.6
107.08571	14.3
109.06491	35.0
109.10131	8.4
111.04423	6.1
111.08069	2.0
117.06980	12.3
119.04924	1.1
119.08542	19.6
121.06480	5.4
121.10118	11.1
123.08032	5.4
124.99947	1.2
125.09605	4.7
129.06964	4.7
131.08542	11.1
133.06471	1.3
133.10117	7.1
135.08031	3.4
135.11647	7.0
137.09596	1.6
143.08565	3.1
145.06421	1.3
145.10088	12.2
147.08015	10.1
147.11662	2.0
149.09598	5.2
153.12709	1.1
157.10080	3.8
159.08075	1.0
159.11694	1.6
159.53593	0.8
161.08438	1.0
161.09543	8.0
163.11183	5.3
165.09070	1.8
171.11662	1.9
173.09576	1.2
174.88777	1.1
181.12144	1.1
183.11623	0.8
184.07309	4.1
227.12666	1.5
245.18973	1.3
249.14804	3.3
255.17433	0.9
273.18457	11.8
291.19434	36.0
302.75916	0.8
335.25702	33.2
347.22110	4.5
365.23044	12.3
607.43372	14.5
625.44464	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5357
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	12.8
57.07061	2.9
61.02902	2.4
67.05489	86.2
68.16798	2.5
69.03391	3.5
69.07049	21.2
71.04959	3.2
76.56118	2.7
79.05474	69.6
81.03382	3.9
81.07036	100.0
82.60101	2.8
83.04948	5.4
83.08614	2.9
85.06484	3.2
86.09708	3.5
91.05465	65.3
93.07018	69.8
95.04947	18.8
95.08581	39.1
97.06484	5.4
105.07019	58.1
107.04956	5.3
107.08569	48.9
109.06487	7.0
109.10147	45.3
113.06002	3.4
117.06998	5.5
119.08556	29.7
119.44905	3.1
119.61207	2.5
121.06444	6.2
121.10106	14.2
123.11674	6.3
124.99947	3.2
125.22543	2.6
129.07008	5.8
129.95476	2.7
131.08540	18.0
133.10114	55.0
135.07990	5.7
135.11636	6.3
143.08542	4.2
145.10098	4.9
147.11732	9.9
149.09660	5.5
151.11159	17.4
151.17494	2.6
159.11626	4.8
162.11682	2.7
168.22249	2.8
178.08594	3.2
184.07303	16.7
204.67270	3.2
223.68954	2.8
253.14305	47.4
261.21985	4.3
273.18448	5.4
279.99786	3.2
291.19434	4.9
298.02454	3.1
335.25821	36.0
347.22180	4.6
365.23190	18.3
513.35126	3.6
531.37042	6.1
625.44568	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	822.536
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	12.7
57.07063	1.6
59.04991	0.9
60.08153	1.2
60.88377	0.7
61.02926	1.4
65.03929	3.7
67.05492	79.0
69.03415	13.3
69.07056	42.9
71.04984	4.2
73.02876	1.0
79.05473	63.2
81.03418	6.7
81.07040	70.5
83.04967	4.9
83.08605	15.4
85.02905	2.1
85.06529	1.9
86.09689	9.2
91.05466	37.6
93.07024	57.6
95.04948	14.8
95.08583	48.8
95.38676	0.8
97.02879	12.1
97.06510	4.5
97.10149	16.9
103.05494	1.1
104.10668	1.0
105.04478	1.6
105.07015	28.6
107.04928	9.9
107.08584	30.7
109.06515	5.1
109.10136	18.2
111.08048	1.3
115.05476	1.5
116.06163	1.2
117.06983	12.7
119.08559	21.7
121.06491	3.8
121.10104	15.9
121.10857	1.0
123.08057	5.3
123.11704	3.3
124.99996	8.0
125.09624	9.4
125.30887	0.8
129.06985	4.4
131.08556	15.9
133.06451	4.4
133.10092	7.8
135.08037	5.2
135.11671	10.5
137.09592	2.0
142.07732	1.0
143.08546	4.5
145.10094	10.1
147.08049	6.9
147.11707	5.8
149.09633	1.1
149.13269	4.7
153.57294	1.0
155.08534	0.9
157.10121	4.4
159.11717	6.2
161.09608	1.5
161.13225	3.1
163.11185	1.5
169.10155	1.7
173.13234	1.7
175.11209	1.3
176.87592	0.9
177.12633	1.3
184.07304	18.2
189.11259	1.4
205.12236	3.4
223.13261	22.4
227.12799	1.2
243.20985	1.0
249.14807	4.0
261.21994	6.2
273.18466	9.4
291.19489	92.5
317.24640	1.3
335.25739	75.5
347.22238	1.7
365.23138	42.4
545.38379	3.3
607.42926	2.9
625.44537	100.0
626.44849	3.0
704.48309	1.2
822.56885	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5356
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	6.5
57.07063	0.8
57.75668	0.4
65.03921	2.9
67.05492	47.6
69.03421	0.6
69.07053	30.0
71.04977	3.3
77.03932	0.5
78.19279	0.5
79.05473	46.6
81.03392	7.0
81.07038	51.5
83.04967	7.2
83.08604	7.8
85.06512	0.8
90.98793	0.5
91.05460	72.6
93.07021	52.7
95.01302	7.6
95.04940	10.9
95.08583	36.0
97.06509	17.9
97.10142	2.6
99.08073	2.1
103.05440	3.0
105.04533	1.1
105.07013	100.0
107.04310	0.5
107.04939	16.3
107.08572	27.1
107.94331	0.5
109.06509	5.0
109.10139	9.6
111.04364	0.5
111.08060	2.3
113.09635	0.7
115.05429	1.2
116.06180	0.8
117.06996	22.3
119.04867	0.5
119.08556	59.7
121.06494	3.3
121.10121	14.6
123.04430	0.9
123.08070	4.0
123.11679	0.7
125.09539	0.8
128.06178	2.0
129.06979	8.0
130.07794	0.7
131.08534	28.0
133.06429	0.6
133.10101	46.6
135.08037	3.4
135.11673	10.9
137.09607	2.0
139.07466	0.6
141.06984	1.2
142.07722	0.7
142.67680	0.6
143.07510	0.7
143.08536	8.3
145.06454	1.3
145.10104	20.9
147.08083	0.5
147.11665	27.4
149.09578	5.1
149.13248	5.2
151.07484	0.8
151.11131	1.2
155.08521	2.2
157.10110	8.2
158.20879	0.5
159.07945	0.7
159.11656	15.3
161.09575	0.8
161.13231	14.1
163.11174	3.4
163.14813	0.9
165.12694	0.5
169.10077	2.8
171.11661	6.9
173.09557	0.6
173.13211	7.6
175.14798	5.6
177.12732	3.8
179.14267	9.8
183.11676	2.3
184.07108	0.6
185.13225	4.5
187.11157	3.0
187.14850	2.8
189.12778	0.6
197.13197	1.2
199.14833	1.2
205.12474	0.6
211.14888	0.6
215.17776	0.7
217.15793	0.6
219.28131	0.5
231.20984	2.3
239.17981	2.2
241.19426	10.9
257.18887	3.9
259.20514	18.6
275.20004	34.3
276.20120	0.6
277.21646	1.1
279.15924	0.7
293.21100	1.2
308.98108	0.7
315.23221	5.5
333.24179	34.6
349.23676	31.0
351.25162	0.8
385.97287	0.5
511.36856	0.8
513.35321	0.6
514.67188	0.6
533.39703	1.1
542.88214	0.5
607.43463	74.7
608.43524	2.2
625.44440	11.5
658.86713	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4826
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	22.6
57.07061	3.0
59.04992	2.6
59.64284	1.0
61.02906	8.3
61.21256	1.0
61.55963	1.0
61.72993	1.0
64.33550	1.5
65.03927	2.9
67.05489	100.0
67.71896	1.2
69.03410	10.9
69.07050	44.6
71.04984	14.1
73.02887	4.7
79.05473	70.5
81.03402	53.9
81.07034	84.2
82.07365	1.5
83.04968	21.7
83.08595	27.4
83.98592	1.3
85.02885	18.8
85.06520	3.0
85.81451	1.4
91.03944	2.6
91.05457	64.0
93.07021	64.5
95.04948	33.5
95.08580	42.9
97.02855	8.1
97.06505	19.9
97.10146	11.3
99.04399	1.8
99.08077	2.8
103.05426	1.9
105.07010	54.1
107.04934	19.5
107.08569	35.8
109.02856	1.3
109.06510	9.3
109.10133	35.3
109.89680	1.3
111.04413	3.1
111.08040	13.2
113.05983	1.4
113.54878	1.6
116.04713	2.4
117.07012	15.9
119.08566	37.5
121.06467	8.8
121.10104	23.5
123.08016	10.9
123.11675	1.9
125.09619	12.0
127.07504	1.6
128.06194	1.9
129.05469	9.2
129.06976	15.2
131.08549	27.5
133.06502	2.3
133.10104	28.7
135.08034	6.5
135.11662	11.7
137.09570	7.3
141.06993	2.9
142.07751	4.6
143.07007	1.9
143.08539	5.0
145.10120	15.3
147.08026	4.6
147.11662	19.8
149.09575	12.6
149.13231	9.4
151.11118	2.7
155.08463	2.5
157.08768	2.9
157.10086	10.3
159.11641	11.2
161.09608	2.5
161.13176	1.7
163.11128	12.5
165.12721	2.3
169.10091	2.2
171.11641	5.2
173.11710	7.5
173.13060	1.4
175.11125	11.6
177.12720	3.2
179.14297	2.3
185.55560	1.2
187.11136	1.9
193.12196	24.3
195.13797	1.8
197.13217	1.8
209.11673	2.8
211.13258	22.4
213.47371	1.3
227.12675	10.9
229.14215	9.6
255.15800	2.4
257.18961	5.2
267.15817	19.0
269.17444	8.3
274.27301	1.7
275.20035	15.0
283.15424	2.8
283.18668	1.5
285.16913	17.3
291.19312	2.5
293.21039	1.6
301.16272	8.9
349.23676	12.7
365.23026	1.9
421.25568	7.2
423.27304	8.7
439.26868	24.0
455.26205	5.4
461.28836	8.0
462.28760	2.7
463.30618	15.5
477.28064	7.1
479.29980	13.9
495.29413	5.9
541.35016	5.7
557.34180	5.7
559.36328	13.7
575.35468	7.2
577.36829	2.4
607.37415	1.4
672.83197	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.5355
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	2.2
57.07056	0.3
58.06586	0.3
58.16012	0.3
60.07866	0.4
60.08152	9.3
61.02917	0.3
65.03938	0.6
67.05146	0.5
67.05495	13.4
69.03407	1.9
69.07054	7.2
71.07361	4.5
72.38564	0.3
79.05471	9.4
81.03389	0.5
81.07038	12.0
83.04949	0.7
83.08595	2.9
86.09691	46.0
88.02826	0.3
91.05456	6.0
93.07025	9.2
95.04958	4.5
95.08585	7.1
97.02871	1.5
97.06523	0.7
97.10172	2.6
98.98438	4.6
104.10724	4.2
105.04484	0.3
105.07024	4.6
107.04937	0.7
107.08585	6.1
109.06474	1.7
109.10123	3.1
111.08066	0.4
117.07010	1.9
119.08559	3.3
121.06493	0.5
121.10130	3.1
123.08051	1.2
123.11654	0.4
124.99981	32.2
125.09600	1.4
131.08537	2.9
133.06438	0.6
133.10086	1.9
135.08078	1.2
135.11639	1.5
145.10101	2.0
147.07965	1.1
147.11662	0.6
149.09639	0.4
149.13240	0.4
152.98688	0.3
159.11716	0.5
161.09624	0.5
169.10016	0.3
184.07306	100.0
223.13254	2.9
239.23453	0.3
249.14853	0.4
261.22025	0.6
273.18311	2.8
282.43918	0.3
291.19495	14.6
335.25720	12.5
345.78015	0.3
347.22012	0.5
365.23120	5.5
369.18649	0.4
510.90341	0.4
560.84534	0.4
607.43390	2.6
625.34125	0.5
625.44434	13.8
650.43433	1.8
652.46442	0.4
704.48334	4.2
754.52924	0.6
772.55084	2.7
822.58405	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	822.4839
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	19.5
57.07072	1.4
59.04985	9.2
61.02915	2.1
65.03918	2.1
67.05490	100.0
69.03414	11.0
69.07055	34.3
69.07401	1.2
71.04971	13.0
71.08606	1.2
73.02876	1.5
75.85373	1.1
79.05006	1.7
79.05471	60.8
81.03397	73.5
81.07036	69.5
83.04955	15.2
83.08603	31.1
83.68177	0.9
85.02901	7.7
85.06522	6.1
87.04446	3.7
91.03912	1.2
91.04874	2.2
91.05453	62.6
93.07021	59.8
94.68909	0.9
94.73788	0.9
95.04324	1.7
95.04941	46.1
95.08578	40.0
97.02882	2.3
97.06493	11.1
97.10152	11.4
99.04448	4.8
99.08073	1.8
103.05441	1.1
105.07010	43.8
106.07247	1.0
107.04929	22.8
107.08572	37.1
109.02854	1.6
109.06504	12.3
109.10139	41.7
111.04415	6.6
111.08073	11.8
115.05450	2.1
116.06144	1.2
117.07012	16.5
119.08552	37.1
121.06476	9.7
121.10116	22.5
123.08056	8.0
123.11652	2.3
125.05948	2.4
125.09568	10.4
127.03885	1.5
128.06154	1.9
129.05484	1.6
129.06987	18.2
130.07745	1.2
131.04895	2.0
131.08536	24.7
133.06456	4.3
133.10112	20.7
135.08034	7.7
135.11665	12.1
137.09595	6.7
141.06987	2.2
142.07748	3.7
143.08525	6.7
145.06470	4.5
145.10089	19.3
147.08026	6.2
147.11679	15.8
149.09602	20.8
149.13252	1.9
151.07501	1.2
151.11176	3.7
152.68942	1.0
153.09023	1.0
153.12645	1.2
153.43703	0.9
155.08542	2.2
155.10640	1.8
157.08908	1.6
157.10089	14.1
159.08098	1.4
159.11656	8.7
161.09592	4.2
161.13225	1.3
163.11124	16.8
165.12708	2.1
169.10048	3.9
171.11659	4.0
172.11128	1.2
173.09593	2.3
173.11696	6.6
173.13206	4.7
175.11183	8.5
177.12747	2.4
179.14270	1.5
181.12216	1.5
183.11624	1.4
184.07307	1.7
185.13249	2.0
187.11101	2.3
189.11217	2.1
189.12820	1.2
191.10635	1.9
193.12196	17.7
195.11676	1.4
197.13229	2.4
199.13240	3.7
203.14314	1.2
205.12196	1.1
207.13477	1.2
211.13232	2.4
223.13263	5.1
225.14748	1.8
227.12750	4.7
229.14307	25.2
229.19521	1.4
239.17833	1.0
241.14305	1.9
243.15895	1.8
244.56480	1.1
247.20496	1.0
249.14731	2.0
255.15828	5.6
257.18915	1.6
259.15298	1.4
267.15860	42.0
269.17389	2.1
275.19958	13.5
283.15189	2.0
291.19391	2.5
293.21005	5.0
315.18057	2.1
329.21027	1.3
349.23691	11.5
365.23178	1.2
367.24545	4.6
417.26511	1.6
421.25955	16.6
423.27286	2.1
435.27151	4.7
437.24564	1.3
447.27328	13.7
459.27267	1.4
503.33575	8.4
521.34692	12.2
541.35004	20.8
557.34869	1.5
559.35730	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	822.4842
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03212	1.0
57.03433	18.4
57.07050	1.5
59.04980	1.6
60.47127	0.9
61.02911	1.2
65.03939	2.7
67.05136	2.1
67.05494	50.0
68.29131	1.0
69.03428	9.5
69.07051	22.3
71.04993	8.0
73.02897	1.6
79.05474	52.5
81.03401	94.5
81.07040	81.5
81.07535	2.2
83.04577	1.3
83.04977	18.5
83.08602	34.2
85.02893	6.8
85.06528	2.1
91.05462	48.4
93.07027	46.2
95.04945	39.4
95.08588	26.9
97.02870	6.2
97.06511	14.3
97.10149	29.2
99.08027	1.2
103.05457	1.3
105.07020	39.3
107.04952	20.5
107.08587	35.1
109.06502	13.7
109.10146	17.9
111.04433	16.7
111.08083	11.7
115.05430	1.7
117.06985	16.3
119.04871	1.5
119.08559	42.5
121.06496	11.2
121.10126	19.3
123.04383	1.4
123.08050	23.8
123.11665	1.3
125.04756	1.0
125.09595	27.7
128.06252	2.2
129.07002	18.4
131.04936	1.5
131.08553	27.3
133.06476	8.7
133.10071	18.9
135.08031	10.0
135.11661	13.8
137.09607	6.1
139.11098	1.3
141.06964	2.1
142.07782	2.7
143.08524	8.8
145.06415	2.0
145.10097	18.6
147.08038	14.2
147.11662	15.1
149.09625	12.5
149.13261	1.6
151.11191	1.5
153.09109	7.1
153.12724	5.2
155.08556	4.4
157.10117	17.2
159.08087	4.5
159.11664	8.7
161.09631	8.9
161.13205	1.4
163.11111	25.0
164.87169	1.1
165.09100	4.2
165.12782	1.5
169.10117	1.6
171.10194	1.6
171.11606	2.6
173.09616	6.9
173.13214	1.6
175.11157	16.0
176.53474	1.1
181.12204	6.9
183.11703	1.4
185.09572	2.2
185.13226	2.5
187.11269	2.3
189.11176	10.5
191.10701	5.6
193.12207	26.2
195.11801	1.2
199.14915	1.3
211.13223	2.0
219.13757	2.5
227.12653	10.6
229.14307	1.6
245.18958	4.7
249.14813	4.7
267.12979	2.3
267.15851	63.3
273.18436	24.0
283.15198	2.0
291.19510	34.9
309.20590	5.8
347.22064	4.7
365.23242	18.1
371.16690	1.2
381.22543	1.6
383.24170	19.3
439.26349	1.4
447.27628	2.3
459.27469	2.0
459.35547	1.1
461.28943	1.7
463.30609	4.5
465.29813	4.6
477.28094	1.5
483.31085	5.3
501.32062	1.5
513.61188	1.2
539.33685	19.1
541.24188	1.1
557.34631	100.0
571.33685	1.4
575.35632	60.6
581.66876	1.3
589.36377	1.6
599.36353	2.2
605.95245	1.2
607.34619	2.3
784.06256	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.484
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	29.5
57.07064	5.2
59.04972	2.3
61.02907	7.9
65.03913	5.1
67.05490	100.0
69.03407	13.0
69.07053	40.6
71.04967	13.4
72.71729	1.2
73.02894	9.7
78.79126	1.1
79.05473	70.7
81.02926	2.4
81.03396	49.6
81.07034	83.7
82.04169	2.6
83.04964	26.7
83.08598	25.5
85.02895	12.6
85.06511	6.3
91.05457	68.3
93.07021	63.3
95.04337	1.4
95.04944	39.1
95.08577	38.9
96.05716	1.4
97.02877	10.2
97.06496	19.4
97.10152	23.7
98.07279	2.9
99.04435	1.7
101.05982	1.6
103.05422	1.7
105.07008	40.9
107.04917	19.0
107.08575	40.0
108.05717	1.2
109.02886	4.9
109.06512	14.7
109.10139	38.2
111.04408	6.7
111.08059	12.0
113.06001	1.7
115.05402	2.3
116.04682	12.2
117.06995	17.0
119.08562	33.0
121.06453	9.2
121.10111	20.4
123.04378	2.0
123.08041	11.0
123.11700	1.8
125.09605	20.0
127.03893	1.2
128.06221	1.7
129.05455	28.8
129.06956	13.0
131.08557	22.0
133.06487	6.2
133.10101	26.9
135.08057	10.3
135.11647	14.3
136.08925	1.4
137.09592	14.1
143.07018	6.7
143.08511	5.6
143.10600	2.3
145.06520	2.4
145.10103	14.5
147.08025	7.1
147.11656	13.5
149.09583	17.7
149.13269	8.9
151.11191	2.2
153.09058	3.2
153.12730	1.5
155.08551	2.2
155.10612	1.8
157.08743	14.0
157.10106	12.3
159.08046	2.0
159.11636	9.5
161.09610	5.8
163.11153	15.7
165.08987	1.9
169.10013	1.7
171.06445	2.0
171.10117	8.2
171.11571	2.2
173.11679	7.1
173.13048	1.8
175.11102	9.5
177.12730	5.4
187.11226	1.5
189.11179	8.4
193.12230	20.7
195.13785	2.1
199.11272	1.6
199.13229	8.1
200.13876	1.3
203.14284	1.4
209.11711	5.1
211.13231	15.0
223.13284	1.8
227.12764	14.2
229.14288	13.1
255.15791	1.9
257.19073	1.7
267.15851	15.5
269.17392	10.3
273.18393	8.7
275.19968	9.8
283.15311	9.4
285.16846	8.7
291.19437	2.6
295.87515	1.4
301.16394	30.8
313.00461	1.3
347.22131	3.2
349.23724	5.9
365.23209	7.2
381.22565	1.6
383.24252	6.2
399.23630	6.4
411.27130	5.4
423.27325	10.5
439.26721	6.4
443.26080	1.8
455.26382	12.4
463.30624	9.6
477.28299	8.9
479.29977	8.9
495.29059	5.6
539.33875	1.7
557.34546	7.4
559.35938	6.6
573.34027	1.4
575.35675	13.7
591.35022	6.2
625.35907	16.1
639.33533	2.3
641.82220	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.448
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03173	1.9
57.03429	38.1
57.07075	8.1
57.58639	0.9
59.04988	5.6
60.23997	0.9
61.02913	11.9
65.03923	5.3
66.18824	1.0
67.05491	100.0
69.03419	17.8
69.07055	26.2
71.01345	4.5
71.04976	11.6
73.02902	11.9
77.32417	1.0
79.05473	65.4
81.02926	1.6
81.03400	40.5
81.07037	72.0
82.04183	5.2
83.01314	1.5
83.04968	32.2
83.08602	28.3
84.02141	1.6
84.05741	1.2
85.02877	17.4
85.06525	6.2
87.04468	4.3
88.48003	1.0
90.27965	0.9
91.03931	2.1
91.05459	49.5
92.89379	1.0
93.07021	54.1
94.07829	1.7
95.04330	1.4
95.04945	38.0
95.05514	2.0
95.08582	28.3
96.05733	1.4
97.02875	13.5
97.06505	19.4
97.10145	30.8
98.07288	8.3
99.04436	2.3
99.08067	1.6
99.41577	1.1
105.07015	30.4
107.04946	12.4
107.08574	37.1
109.02863	2.5
109.06496	11.7
109.10139	38.4
111.04475	2.0
111.08071	7.8
112.41504	1.1
113.06086	1.0
115.03922	1.3
115.05449	1.9
115.73756	0.9
116.04697	16.7
117.05495	2.3
117.06990	16.8
119.08562	27.5
121.06503	7.3
121.10100	12.7
123.04420	2.4
123.08044	10.2
123.11687	1.8
125.09608	31.3
125.96090	1.1
127.03911	1.9
127.11140	4.2
128.06206	2.0
129.05453	46.6
129.06921	11.3
131.04889	1.2
131.08539	18.1
132.08995	0.9
133.06450	1.9
133.10109	15.6
135.08028	7.7
135.11670	11.3
137.09590	6.5
142.07742	0.9
143.07001	8.3
143.08542	4.1
143.10562	2.0
145.06517	1.7
145.10080	14.1
147.08041	4.6
147.11670	9.4
149.09624	6.8
149.13225	2.4
151.11183	1.1
153.09189	1.4
153.12776	1.7
155.10669	1.8
157.08586	19.4
157.10088	7.9
158.05707	1.6
159.11670	4.4
161.09575	1.7
163.11151	15.3
165.12704	2.1
171.06508	2.6
171.07971	1.1
171.10159	5.3
171.11523	1.1
173.09615	2.5
173.11708	13.4
173.13121	1.8
175.11220	4.0
181.12256	1.5
183.06432	1.1
184.07338	1.5
185.08078	1.4
189.11168	7.6
191.10666	6.1
193.12111	9.6
195.13818	4.3
199.09538	2.1
199.13246	15.1
200.14011	1.7
201.14746	3.6
209.11668	11.2
210.12529	1.3
211.13271	6.0
217.14314	5.2
221.13231	1.1
227.12775	14.7
229.14305	15.3
255.15839	2.1
267.15854	12.9
268.62628	1.1
269.17517	11.5
275.20255	1.2
283.15353	18.8
285.16849	1.6
301.16400	51.0
326.24298	1.4
383.24283	1.3
394.26920	1.3
409.25781	2.6
425.25229	1.4
438.26193	1.3
442.85904	1.5
443.26175	6.8
455.26263	17.4
463.30508	27.3
475.27142	1.8
509.27200	7.5
510.27496	1.8
527.28394	37.8
575.35864	2.0
699.08374	1.2
839.67480	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	822.4475
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03208	2.1
57.03434	27.8
57.07052	3.9
58.06599	1.8
59.04974	3.4
61.02910	7.9
65.03918	2.6
67.05495	100.0
69.03420	16.1
69.07055	18.7
69.97298	1.5
70.06558	4.1
71.01346	2.1
71.04956	9.0
71.08622	2.0
73.02893	7.3
75.63679	2.2
79.05044	2.9
79.05475	47.2
81.03404	24.1
81.07039	49.2
83.04965	18.3
83.08604	20.8
84.97199	1.9
85.02905	17.4
85.06536	3.5
87.04445	3.8
88.07606	3.3
91.05462	35.5
93.07019	28.6
94.30827	2.2
95.04947	19.8
95.08580	20.4
97.02885	8.6
97.06485	11.1
97.10158	21.0
98.07323	3.1
99.04395	2.3
101.00197	2.1
102.09167	3.4
105.07040	19.6
105.76067	1.9
107.04925	9.0
107.08569	25.4
109.06492	11.8
109.10136	59.8
111.04423	2.5
111.08080	8.4
115.05412	2.8
116.04692	10.9
117.06985	4.3
119.08575	20.0
121.10102	11.0
123.08060	3.5
125.09595	22.3
127.03853	2.2
129.05458	31.5
129.06975	3.1
131.08527	10.9
133.10124	8.6
135.08008	3.2
135.11662	9.9
137.09590	3.8
143.06993	3.2
145.10103	10.1
147.11728	2.6
149.02330	21.5
155.10770	2.7
157.08569	11.2
157.09967	3.3
163.11159	9.0
171.10129	3.2
173.09583	2.5
173.11740	14.3
175.11166	3.0
189.11182	3.0
191.10597	2.3
193.04958	17.6
193.12129	3.8
199.13268	13.4
209.11734	4.2
209.13718	1.8
211.13264	3.1
215.69186	1.7
227.12802	8.9
228.23238	13.9
229.14333	32.8
235.50276	2.1
267.15863	7.6
275.20361	2.1
283.15424	9.9
301.16333	29.0
383.23965	3.8
399.23782	8.0
455.26190	9.5
527.28094	3.1
553.33612	4.6
625.35309	9.5
712.08008	2.3
822.36292	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5326
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06585	1.4
59.07359	0.5
60.08151	6.5
67.05499	0.4
71.07349	2.7
77.17013	0.3
78.49357	0.3
79.05441	0.4
81.07034	0.5
86.09688	38.0
91.05438	0.3
93.07011	0.4
95.08572	0.6
98.98427	3.4
104.10741	2.7
104.83243	0.3
107.04888	0.3
107.08517	0.4
121.10090	0.4
124.99976	27.3
131.08534	0.4
184.07298	100.0
222.08858	1.7
705.35101	0.4
763.87946	0.3
772.46979	0.4
820.53094	8.6
844.75305	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5708
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.6
57.07062	1.5
60.08149	7.5
67.05492	7.6
69.07046	2.9
71.07337	5.1
71.08622	1.0
79.05466	5.4
81.07035	7.2
83.08595	3.0
86.09689	47.7
90.31808	0.6
91.04963	0.6
91.05431	5.3
93.07019	6.0
95.04955	0.8
95.08564	4.5
96.22002	0.7
97.10153	2.9
98.98443	3.6
104.10726	3.0
105.07010	1.3
107.08566	3.4
109.10143	3.3
115.05424	0.7
117.06991	1.5
119.08561	12.8
121.10133	0.7
124.99056	1.4
124.99976	33.5
125.09574	1.2
131.08508	1.0
135.08022	1.2
135.11716	0.8
145.10164	1.4
147.11690	1.0
157.10069	0.9
158.01405	0.7
159.08023	5.3
176.60637	0.7
184.07301	100.0
229.14240	0.7
271.16772	0.8
289.17917	0.7
313.27289	2.7
335.25754	4.1
349.23627	0.9
363.21606	1.0
372.50684	0.9
468.01294	0.9
507.40036	1.6
587.45026	0.9
605.47589	1.1
623.42731	7.8
704.48114	2.8
770.52777	1.4
784.53845	0.8
802.55750	0.9
820.57678	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	822.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03176	1.6
57.03428	31.1
57.07056	5.5
59.04974	1.6
61.02901	6.5
61.96292	0.8
65.03927	4.0
67.05489	100.0
69.03411	13.7
69.07050	42.3
71.01322	5.0
71.04970	8.8
73.02905	7.9
79.05473	71.0
80.06238	1.5
81.03397	44.3
81.07034	79.2
82.04175	5.6
83.04960	29.4
83.08599	24.9
84.02082	1.4
85.02880	15.8
85.06509	5.5
91.05456	67.0
93.07021	61.0
95.01296	1.4
95.04939	39.7
95.05516	2.1
95.08582	36.1
96.05735	3.7
97.02856	20.9
97.06499	18.2
97.10138	22.7
98.07286	6.2
99.04447	1.5
100.80743	1.0
103.05440	2.4
105.06281	1.4
105.07004	44.2
107.04929	23.7
107.08575	38.5
109.02850	5.4
109.06493	19.9
109.10137	40.2
111.04437	6.9
111.08040	13.3
113.05975	4.0
113.65509	1.0
115.05418	3.8
115.07516	1.1
116.04678	16.9
116.06111	1.3
117.06983	17.0
119.08551	35.0
121.06482	11.8
121.10118	19.0
122.07207	1.1
123.04412	5.6
123.08022	13.3
123.11653	1.7
124.72723	1.0
125.06012	1.8
125.09601	21.2
127.03879	1.1
127.07537	1.2
127.11245	2.0
128.06200	3.6
129.05449	43.2
129.06929	13.7
131.08531	24.1
133.06474	5.9
133.10098	23.2
135.08026	14.3
135.11674	13.4
136.08812	1.4
137.05937	1.3
137.09593	22.8
139.07448	0.9
141.07007	1.4
142.07747	3.3
143.06973	6.8
143.08524	4.0
145.06473	5.9
145.10098	16.9
147.08038	9.1
147.11667	19.2
149.09604	15.4
149.13188	2.0
151.07503	1.8
151.11205	1.8
153.09044	8.8
153.12788	1.6
155.08548	1.7
157.08575	17.2
157.10094	13.8
158.05647	1.2
159.08063	2.3
159.10484	1.0
159.11664	8.1
161.09587	6.4
161.13216	2.0
163.07492	1.5
163.11140	15.2
165.09106	3.7
165.12729	2.3
169.10101	1.4
171.06461	1.8
171.10121	8.2
171.11639	3.7
173.09657	2.4
173.11700	6.9
173.13091	1.5
175.11140	8.3
177.12703	4.9
181.10054	1.1
181.12117	2.1
185.09683	1.6
185.11674	1.5
185.13248	1.6
187.11244	1.8
189.11214	9.8
189.12668	1.4
193.12173	22.5
199.13264	5.8
200.14076	2.1
209.11772	3.9
211.13223	16.1
213.12735	1.3
213.14656	1.0
221.11746	3.7
227.12762	11.7
229.14233	12.0
239.12671	1.4
267.15833	15.0
273.18387	11.0
275.19888	4.0
283.15347	7.7
285.16916	11.0
289.17978	4.4
291.19513	4.6
295.15302	1.7
301.16425	27.5
347.22064	2.3
349.23553	5.0
365.23044	6.6
381.22617	5.3
396.63071	1.0
399.23758	11.5
421.25705	6.9
439.26794	15.7
455.26352	10.8
461.28836	2.4
466.45685	1.2
479.29919	12.5
541.35162	1.6
557.34259	1.7
559.35895	8.3
573.33661	1.4
575.36108	3.4
577.37012	1.4
591.35010	9.8
607.34076	1.8
623.33392	1.6
625.35669	41.3
626.35828	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5198
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	1.5
57.07057	0.9
62.98137	0.6
67.05148	1.1
67.05492	28.7
69.03378	0.9
69.07056	26.7
69.92811	0.7
71.04964	1.5
79.05473	27.9
81.03413	7.1
81.07039	42.8
83.04951	5.5
83.08617	5.9
85.06518	0.8
86.09683	2.9
91.05462	42.3
93.07026	25.9
93.07597	0.6
95.01312	8.3
95.04947	9.6
95.08589	24.8
97.06512	41.6
97.10141	1.5
100.98155	0.7
101.34368	0.7
105.04514	1.0
105.07015	66.0
105.25976	0.7
107.04943	18.0
107.08587	12.9
109.06499	4.1
109.10107	5.7
111.08054	2.8
117.06997	13.1
119.07713	1.1
119.08555	32.8
121.06465	2.9
121.10118	5.2
123.04400	1.6
123.08024	3.2
123.11691	0.9
124.99976	0.8
129.06961	1.8
131.08543	18.2
133.06476	1.2
133.10115	35.0
135.08008	1.5
135.11658	6.2
137.09579	1.8
139.07500	1.1
141.06917	1.1
142.07780	1.0
143.08525	1.5
145.06487	4.7
145.10124	12.4
147.08046	1.1
147.11670	14.8
149.09616	7.8
149.13229	3.8
151.11118	1.4
155.08482	2.6
157.10049	1.5
159.08022	0.8
159.11679	11.0
161.13228	4.7
163.11194	7.1
165.09042	3.6
169.10091	1.2
171.11685	1.7
173.13197	3.4
177.12717	4.0
179.14261	8.3
183.11723	1.2
184.07278	5.0
185.13145	0.7
187.11131	4.1
189.12834	0.9
247.20554	1.1
257.18933	3.0
267.17474	0.7
267.83356	0.8
275.20016	46.5
293.21024	1.6
304.34555	0.7
349.23633	33.5
471.81015	0.8
623.42987	100.0
624.42938	2.8
641.44012	1.3
800.33667	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	820.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	12.8
59.00626	1.0
65.03923	1.9
67.05495	47.7
67.64831	1.0
69.07058	10.9
79.05476	39.6
79.05905	2.2
81.03399	1.6
81.07040	56.3
83.04983	9.8
83.08622	6.4
85.06527	1.3
86.09699	8.1
86.95514	1.1
91.05463	26.8
93.07027	34.4
95.04942	9.1
95.08592	29.4
97.02877	1.6
97.10140	4.8
105.04494	1.3
105.07012	21.0
107.04946	15.7
107.08577	19.7
109.02863	6.5
109.06505	18.0
109.10159	9.0
111.04422	3.0
111.08101	1.7
115.05408	1.6
117.06997	15.7
119.08585	17.4
121.02866	1.4
121.06498	5.2
121.10113	10.5
123.04417	1.9
123.08076	2.4
123.11655	1.2
124.99937	2.4
125.09569	2.2
128.06244	1.3
129.07004	4.3
131.08542	12.9
133.06512	2.5
133.10091	11.9
135.08014	13.0
135.11665	6.0
137.09668	4.4
143.08589	5.0
145.06483	5.6
145.09070	1.5
145.10060	8.8
147.08003	2.2
147.11682	4.9
149.09584	2.8
149.13313	1.2
151.07576	1.4
151.11179	1.5
155.08620	1.5
157.10139	1.6
159.08002	5.5
159.11693	2.5
161.05908	1.3
161.09631	5.4
163.07597	4.7
163.11226	2.4
169.10069	1.9
171.11803	1.6
173.09518	2.1
173.13261	1.6
177.12735	1.8
179.10640	7.8
184.07350	11.3
185.13182	1.6
187.14821	1.2
227.12579	1.3
243.17355	6.2
261.18472	2.5
271.16901	5.8
289.17935	17.2
317.24420	1.2
335.25742	31.1
363.21631	22.0
623.42987	100.0
624.43152	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	820.468
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	21.0
59.04988	2.8
61.02905	3.7
67.05491	100.0
68.05846	2.1
69.03401	10.5
69.07051	47.6
70.44377	2.2
71.01344	3.0
71.04982	14.8
71.14547	1.8
73.00636	1.8
74.22651	1.9
75.14901	1.8
79.05477	64.8
81.03397	55.1
81.07036	86.5
83.01320	10.2
83.04977	21.2
83.08598	20.0
85.02911	11.4
85.06539	3.3
91.05466	62.3
93.07018	71.1
95.04941	39.8
95.08589	44.9
97.02879	9.8
97.06516	19.8
97.10144	9.1
105.07019	44.4
107.04937	26.3
107.08575	37.5
109.06495	18.6
109.10138	32.0
111.04434	5.1
111.08089	8.9
115.05388	2.5
117.06989	23.6
119.08543	39.3
121.06484	12.4
121.10142	15.7
122.07253	2.0
123.08041	11.1
125.05996	2.9
125.09578	4.9
129.06992	5.3
130.07785	2.5
131.08543	23.4
133.10114	22.2
135.08046	10.6
135.11633	17.2
137.09599	13.4
143.08563	3.4
145.10072	29.2
147.08060	9.2
147.11659	11.0
149.09590	14.9
149.13191	4.5
155.08542	3.5
157.10110	4.7
159.11681	9.8
161.09601	4.8
163.11140	28.8
173.09506	3.7
173.11771	3.1
173.13237	2.3
193.12224	9.3
201.12894	2.5
209.11671	3.8
227.12746	4.5
229.14275	3.4
247.20711	2.6
263.30042	2.4
267.15793	24.0
273.18344	2.3
275.20023	11.5
283.15317	27.4
335.07736	2.9
349.23853	15.6
367.24850	2.8
373.18573	2.5
379.20917	3.0
381.22592	4.0
403.23026	2.2
437.25217	48.4
461.28455	2.9
477.28708	24.9
557.34784	24.6
561.64166	3.0
573.34082	45.1
575.35632	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	820.4659
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	28.5
57.12081	2.7
62.29781	2.8
67.05494	60.5
69.03403	4.8
69.07059	29.4
71.04958	6.8
79.05027	4.1
79.05467	77.1
81.03403	100.0
81.06599	3.7
81.07040	76.5
83.04957	18.3
83.08601	36.3
85.02872	7.5
90.71281	3.4
91.05465	52.9
93.07027	45.3
95.04925	40.0
95.08565	29.8
97.02851	12.7
97.06495	13.2
97.10139	16.9
99.04387	3.5
105.07019	45.1
107.04953	28.1
107.08585	40.1
109.02847	3.6
109.06496	19.3
109.10138	18.7
111.04436	6.0
111.08085	13.5
114.32150	3.2
117.06995	18.7
119.04901	3.3
119.08562	40.0
121.06477	12.3
121.10091	19.2
123.08022	6.2
125.09617	22.5
129.06978	21.3
131.08525	24.6
133.06480	5.6
133.10107	24.7
135.07945	11.2
135.11662	15.3
137.09567	3.6
145.06509	5.0
145.10147	22.5
147.08038	7.4
147.11658	17.6
149.09558	14.2
153.12761	6.4
157.10112	18.2
159.11635	3.7
161.06070	4.2
161.09564	15.0
163.07506	4.6
163.11131	7.6
175.11084	18.3
181.12175	4.6
193.12198	31.4
200.01976	3.4
227.12657	7.7
263.12793	3.8
267.15878	71.7
283.15247	28.4
289.17853	14.0
363.21646	5.0
366.39175	3.2
381.22577	20.5
461.28903	12.4
475.26971	42.6
481.29340	4.1
493.27484	13.4
537.32050	4.7
555.33118	70.6
573.34198	86.6
591.35266	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	820.4673
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03434	28.7
59.04999	4.3
61.02906	4.0
67.05492	98.1
68.60984	3.2
69.03416	7.2
69.07056	27.8
71.04967	23.7
79.05471	78.3
81.03394	65.8
81.07037	100.0
83.04958	27.2
83.08607	38.8
85.02882	19.9
85.06544	5.2
85.46317	3.4
91.05464	74.5
93.07030	60.9
93.38657	2.9
95.04933	41.5
95.08586	43.5
97.02865	6.3
97.06510	18.4
97.10158	16.6
99.04437	3.4
105.07005	51.0
107.04936	20.6
107.08578	36.8
109.06495	26.6
109.10143	46.8
111.04398	4.9
111.08063	5.0
115.05455	4.2
117.07012	19.0
119.08548	43.6
121.06480	13.4
121.10108	25.8
123.04392	3.6
123.08041	7.9
125.09576	8.0
126.91096	3.4
129.05438	4.7
129.06973	13.8
131.08551	29.5
133.06473	5.4
133.10127	28.4
135.08012	5.2
135.11752	9.1
137.09610	7.5
143.08548	5.3
145.06483	6.4
145.10094	25.1
147.08037	19.5
147.11633	6.5
149.09599	14.5
157.08691	3.7
157.10103	14.2
159.11827	3.2
161.09550	6.7
163.11163	19.1
175.11208	7.3
181.12228	3.4
189.11201	4.4
193.12224	24.4
201.27725	3.4
211.13362	14.6
229.14316	7.0
267.15845	25.4
273.18439	7.1
275.20163	5.1
283.15332	17.0
285.17014	16.7
291.19504	17.1
341.77924	3.5
347.22266	4.1
349.23593	3.8
381.22562	3.9
413.25128	4.4
437.25037	24.6
439.26480	15.3
509.07355	3.4
519.32538	7.3
541.34894	3.9
557.34198	16.4
573.33685	24.9
605.35950	3.6
623.37427	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	818.562
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	19.7
57.07068	44.3
66.60676	1.5
67.05156	1.8
67.05495	47.4
69.07052	29.1
71.04969	2.2
71.08623	29.2
79.05473	45.9
79.18471	1.5
81.03390	10.6
81.07044	100.0
82.88819	1.7
83.04970	16.0
83.08599	31.1
83.49683	1.8
85.02890	7.1
85.10153	14.1
86.09642	1.7
89.05998	2.1
91.05461	25.4
92.09325	1.8
93.07029	38.0
95.04940	20.8
95.08599	46.3
97.02771	1.8
97.06503	7.2
97.10159	40.2
99.04447	2.6
104.01457	1.8
105.07017	22.8
107.04933	10.1
107.08597	26.0
109.06500	8.1
109.10152	19.6
111.04418	21.5
111.08047	9.7
117.07019	16.0
119.08561	26.5
121.06485	8.3
121.10130	14.1
123.08032	29.6
123.11639	3.6
125.05976	2.2
125.09614	25.0
129.06970	9.7
131.08540	20.5
133.06476	3.9
133.10120	9.1
135.08006	8.1
135.11673	9.0
137.09663	6.3
143.08531	7.9
145.06430	2.6
145.10130	19.3
147.08037	16.0
147.11678	3.9
149.09579	8.0
153.09137	3.0
153.12746	7.5
157.10042	2.9
159.11615	3.2
161.09570	9.1
163.11122	22.8
165.09027	3.6
171.11601	3.5
175.11215	4.3
179.56845	1.9
181.12238	4.0
189.11191	15.9
191.10631	4.0
193.12251	2.5
223.13268	2.4
227.12746	13.8
227.17775	2.4
231.72035	1.7
245.18881	3.5
255.17358	3.0
273.18466	30.5
283.15262	1.8
291.19485	65.0
309.20560	8.3
313.23749	2.8
313.27319	71.0
347.22012	3.6
365.23209	31.4
383.24213	25.7
583.65930	2.2
603.45984	45.9
621.47217	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	819.4
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	13.4
57.07047	1.2
65.03915	1.5
67.05490	29.3
69.03403	12.6
69.03679	0.9
69.07052	7.2
71.04977	6.7
71.38596	1.1
73.02901	1.2
79.05476	27.8
81.03400	100.0
81.07038	32.5
83.04964	25.4
83.08601	23.3
85.02888	28.8
85.06548	1.5
91.05462	34.3
93.07024	23.8
95.04948	37.5
95.08592	11.3
97.02888	13.2
97.06522	4.9
97.10148	6.0
99.04481	2.2
105.07017	34.1
107.04939	10.4
107.08565	10.3
109.02838	9.1
109.06512	6.7
109.10136	2.2
111.04425	9.2
111.08066	10.4
113.05965	1.9
115.05434	1.6
117.06988	2.0
119.08557	23.9
121.06465	2.6
121.10115	12.9
123.04359	1.3
123.08062	2.6
123.11664	1.8
125.09646	4.4
127.03918	5.2
129.05457	1.5
129.07007	11.9
131.08557	14.0
133.06479	4.9
133.10094	13.0
135.04387	1.3
135.11694	1.5
137.05997	1.3
137.09615	1.8
138.10158	1.3
142.07722	2.3
145.06483	2.1
145.10123	2.0
147.04451	1.3
147.07983	3.0
147.11688	23.9
149.09625	8.0
157.10078	16.7
163.11192	3.0
165.09073	5.5
165.12762	6.7
175.11136	21.0
183.69032	1.2
193.12196	42.7
211.13252	37.8
227.12714	1.3
267.15891	23.5
273.14743	1.5
285.16913	19.6
411.19952	2.2
429.20947	8.7
459.27374	18.4
477.28387	22.1
495.29453	18.9
585.30493	2.3
603.31549	2.3
621.32318	8.2
639.33643	34.6
686.38531	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	817.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	18.7
57.07059	1.8
57.14665	0.8
58.16827	1.1
59.04974	4.2
61.02901	2.4
64.30602	1.0
65.03905	1.8
67.05486	63.5
67.05846	2.5
69.03068	1.7
69.03411	33.4
69.07055	9.4
71.01334	4.6
71.04967	11.6
73.02896	9.6
79.05467	33.6
81.03393	100.0
81.07031	40.3
83.01289	1.7
83.04955	25.6
83.08601	18.6
85.02884	31.1
85.06531	2.4
91.03927	1.2
91.05448	37.4
93.07020	24.9
95.04932	24.2
95.08578	14.3
97.02863	24.3
97.06483	6.1
97.10133	12.5
99.04429	8.7
102.32487	1.1
105.04409	1.2
105.06995	23.8
107.04931	19.5
107.08576	12.9
109.02843	15.2
109.06500	6.0
109.10132	30.0
111.04417	13.4
111.08086	8.5
113.05994	1.2
115.03921	1.6
115.05444	2.2
117.06979	6.0
119.08546	24.6
119.11382	1.2
121.06470	2.5
121.10110	10.5
123.04395	6.9
123.07993	4.7
123.11674	2.6
125.09610	6.4
127.03875	14.4
128.06183	1.3
129.05463	2.2
129.06952	6.4
131.08508	13.7
133.06477	5.7
133.10098	10.2
135.04382	5.4
135.07980	2.2
135.11658	6.3
137.09598	1.5
139.03799	1.9
142.07758	1.7
143.08490	2.3
145.04904	1.2
145.06438	2.1
145.10103	6.7
147.08037	4.9
147.11664	13.9
149.05927	1.3
149.09569	5.5
151.03867	1.3
153.12666	2.5
155.08524	1.9
157.10071	11.1
161.05952	2.1
163.11160	6.0
173.04451	11.0
173.05717	1.2
173.09526	2.5
173.11678	5.4
175.11194	10.4
179.03317	1.4
181.12115	1.8
189.11139	2.2
191.10640	1.5
193.12170	23.6
199.05887	1.8
209.11723	7.1
211.13232	23.6
227.12737	6.2
229.14288	8.1
247.13165	1.4
267.15851	13.2
273.14709	1.8
281.14001	1.3
283.15308	6.6
285.16891	10.0
289.14029	1.4
364.34250	1.4
373.18399	2.2
409.25864	1.3
421.25592	10.2
427.19403	1.4
429.20978	1.8
439.26770	22.0
459.27017	1.7
475.26721	8.1
493.27740	5.9
583.31299	12.3
607.30634	1.4
637.32080	7.8
655.32813	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	816.5462
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	14.5
57.07072	37.1
61.70005	2.4
63.69360	2.2
64.67089	2.7
67.05183	3.4
67.05504	40.6
69.07050	28.2
71.08610	29.5
79.05484	33.1
81.07040	100.0
83.08600	21.2
84.48383	2.5
85.02827	3.2
85.10172	6.9
91.05465	23.1
93.07029	26.3
95.04956	4.2
95.08588	33.9
97.06519	2.8
97.10186	3.8
105.07034	29.7
107.04932	4.5
107.08583	15.9
109.06507	22.5
109.10138	15.8
111.08108	3.6
112.45458	2.8
117.06989	4.9
119.08552	18.7
121.10104	6.7
123.08041	3.7
123.11699	5.6
124.99995	3.2
131.08563	14.1
133.10123	14.6
135.08046	3.2
145.10139	5.1
147.11656	7.2
149.09546	4.2
149.13203	5.0
153.08600	2.8
154.59673	3.1
159.11708	6.4
163.11168	5.0
165.12679	4.1
179.10959	2.9
184.07271	6.7
233.92783	3.0
275.20068	41.1
282.46350	3.3
293.21051	15.7
313.27264	56.9
349.23636	16.1
367.24817	32.5
435.64063	2.8
496.83130	3.8
576.90936	3.4
587.46643	48.0
605.47766	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	816.5455
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	16.2
57.07064	53.2
67.05494	45.6
69.07049	26.7
69.20738	3.4
71.04995	6.0
71.08619	32.5
79.05470	32.7
81.03376	3.5
81.07037	53.8
83.04946	13.0
83.08604	42.2
85.02914	4.4
85.10159	18.7
91.05447	31.7
93.07018	31.8
95.04950	82.2
95.08599	45.1
97.10153	15.0
97.37440	3.6
105.07011	25.2
107.04912	13.6
107.08603	27.5
109.06514	3.7
109.10140	19.0
111.04415	5.4
111.08033	8.1
112.82629	3.0
117.07015	5.1
119.08529	22.1
121.06434	4.5
121.10123	25.1
123.08070	6.7
125.09602	5.3
131.08516	20.9
133.10078	17.6
135.08057	4.7
135.11685	4.4
137.09610	4.1
145.10100	23.2
147.11656	5.1
149.09561	28.4
149.40125	3.4
155.08574	3.9
159.11740	4.8
163.11105	31.4
175.10995	4.0
181.12161	4.5
223.13278	24.7
228.39424	3.6
259.96417	3.2
262.62354	3.5
275.20020	48.4
293.21011	29.6
313.27338	94.0
349.23712	23.0
367.24710	45.6
573.95087	3.7
587.46649	29.0
590.70709	4.3
605.47589	100.0
657.93756	3.5
681.76904	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	816.5458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	30.8
57.07071	85.2
60.08131	4.3
65.01019	4.3
67.05491	84.7
69.07055	38.1
71.08610	44.5
73.02885	4.6
79.05475	58.0
81.07043	100.0
83.04934	5.7
83.08598	23.4
85.02900	7.7
85.06552	5.4
85.10168	22.2
86.09693	24.6
91.05479	49.4
93.07009	57.8
95.04987	16.0
95.08587	59.3
97.06520	9.3
97.10122	6.5
105.07005	43.8
107.04926	4.7
107.08582	29.2
109.10136	24.8
117.07011	27.9
119.08578	32.3
120.72157	4.6
121.10105	23.9
123.11641	6.1
124.99979	9.0
131.08516	24.9
133.10112	27.4
135.11662	10.6
143.73312	5.7
145.10097	8.7
147.11598	8.6
149.09579	19.6
149.13268	9.8
155.08517	5.5
157.97911	4.9
159.11652	9.6
163.11134	5.2
173.13213	5.8
184.07286	38.4
207.93108	6.1
255.15897	5.6
257.18964	8.6
269.17432	29.3
275.20120	39.6
313.27319	75.4
349.23630	31.2
493.38754	11.8
507.40469	60.3
587.46619	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	814.5584
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06604	0.3
60.07862	0.4
60.08152	8.5
71.07359	3.8
74.55768	0.2
77.61415	0.2
79.05466	0.4
81.07028	0.9
82.37051	0.2
84.26382	0.2
86.09689	47.2
91.84378	0.2
93.07053	0.3
93.70059	0.2
95.08585	0.3
98.98444	3.2
104.10709	3.4
105.07025	0.3
119.08564	0.2
124.99980	32.5
143.01042	0.4
184.07306	100.0
185.07700	0.2
241.06572	0.2
242.64584	0.2
297.29343	0.2
778.53601	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	816.458
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	33.1
57.07066	3.2
59.04980	3.4
63.63737	1.9
65.03925	3.3
67.05489	100.0
69.03416	36.7
69.07047	15.9
71.01328	4.4
71.04979	19.4
73.02887	10.5
75.04465	2.3
76.10197	2.0
79.05475	69.7
81.03398	80.7
81.07037	50.5
82.04196	3.4
82.07412	2.2
82.69684	2.2
83.01338	3.2
83.04972	30.5
83.08617	20.7
85.02885	26.9
85.06537	4.8
87.04471	5.7
91.05464	44.0
92.08665	2.5
93.07029	39.7
95.04929	31.7
95.08578	19.2
97.02877	26.7
97.06502	11.9
97.10143	27.5
98.03644	5.4
98.07269	3.8
99.02522	2.2
99.04422	10.7
101.05997	90.3
105.07000	21.9
107.04916	18.5
107.08584	26.5
109.02892	9.1
109.06494	6.1
109.10154	50.4
111.04428	15.8
113.06032	3.9
116.04679	4.2
117.07027	11.7
119.08574	18.8
121.06493	5.5
121.10133	13.8
123.04402	10.4
123.08070	10.7
125.09623	26.0
127.03898	11.4
129.05499	19.2
129.06970	9.0
131.08556	9.4
133.10121	5.2
135.08034	4.4
135.11659	11.5
137.05963	3.3
137.09586	3.2
143.06978	2.8
145.10106	14.9
147.07959	4.7
147.11668	5.6
149.09546	3.8
153.09117	4.5
153.12747	2.5
157.08612	3.5
157.10110	5.3
163.11179	15.7
165.12779	2.5
173.04393	3.3
173.11736	10.8
175.11142	3.3
185.09595	2.6
189.11197	4.2
193.12184	5.7
199.13263	5.5
199.93845	2.6
209.11710	10.3
211.13252	3.2
227.12738	13.5
229.14345	24.6
255.15721	3.5
267.15790	3.9
283.15366	8.9
301.16391	14.3
373.18912	2.7
383.24283	3.1
437.25366	3.2
446.87158	2.7
455.26178	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	813.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
57.81571	2.1
67.05490	3.1
69.03463	2.2
72.49449	2.1
81.07030	8.8
83.04968	15.3
83.08598	14.9
85.02879	3.2
85.06522	2.1
91.05475	2.9
93.07015	4.7
93.94547	2.1
95.04946	8.3
97.06548	3.8
99.04420	2.9
105.07021	3.7
107.08588	12.5
109.06522	5.2
109.10144	13.5
111.08035	2.6
115.75886	2.2
121.10117	14.8
121.33367	2.7
123.11712	5.2
125.09624	3.3
133.10101	11.2
139.11055	2.6
142.69305	2.0
147.11656	2.9
149.13275	3.3
151.11151	25.9
163.03813	2.5
167.14282	26.5
173.13239	9.4
191.14261	4.9
209.15334	100.0
227.16357	2.9
274.07632	2.4
388.88803	2.3
407.09085	2.8
429.20560	4.9
650.68152	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	813.5114
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	2.7
59.04961	0.4
60.08178	0.5
60.61116	0.4
61.02915	6.8
64.27028	0.5
67.05501	6.8
69.03423	3.8
69.07063	2.4
71.57710	0.5
73.02909	4.0
79.05489	4.9
79.13308	0.5
81.03418	1.2
81.07035	6.2
83.08627	0.7
85.02885	6.6
86.09708	1.0
91.03937	4.0
91.05460	4.5
93.07018	6.9
95.04959	0.8
95.08594	5.0
97.02868	5.5
99.04435	1.0
101.02374	1.0
103.03915	0.7
105.07040	3.2
107.08596	3.2
109.10145	1.0
119.08562	2.3
121.10154	2.2
124.99978	2.5
127.03957	1.0
127.88649	0.5
129.18678	0.5
131.08638	0.7
133.10155	1.2
135.11703	1.0
147.11720	0.9
184.07288	4.3
185.04253	0.7
192.11331	0.5
196.26303	0.6
222.13263	0.6
222.15514	0.5
243.08472	3.2
299.18921	0.6
301.08908	1.0
335.25739	0.7
373.11435	0.6
465.20984	0.9
506.55658	0.6
519.29303	8.4
534.24738	0.6
535.28619	4.1
591.31250	1.1
624.09491	0.6
813.51056	100.0
814.50964	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	813.4467
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	0.8
57.07043	0.6
59.04974	0.7
64.33234	0.4
67.05483	2.3
69.03395	2.8
69.07030	2.6
71.04969	1.1
72.34134	0.4
72.86633	0.4
79.05466	0.8
81.07042	5.0
83.04958	16.6
83.08599	19.1
83.27610	0.5
85.02881	3.6
85.06511	0.8
87.31612	0.5
91.05475	1.0
93.07008	5.8
95.04926	5.5
95.08587	4.7
97.02844	0.7
97.06482	3.3
97.10159	3.5
98.97581	0.6
99.04433	0.8
105.07005	3.3
107.08575	11.3
109.06496	5.0
109.10138	12.8
109.26926	0.5
110.98324	0.5
111.08020	4.6
113.09621	0.6
119.08561	2.3
121.10107	10.9
123.07955	0.6
123.11671	5.4
125.09592	5.8
127.03873	0.9
131.08499	1.0
133.10114	8.6
135.07971	0.5
135.11665	1.1
139.11087	0.6
145.10043	0.7
147.04433	0.7
147.11644	2.0
149.13232	4.3
151.09940	1.0
151.11154	28.0
153.09033	2.5
163.14818	1.1
167.14267	37.0
173.13203	3.6
191.14244	4.2
193.04883	1.1
203.07507	2.7
203.84702	0.5
209.15321	100.0
210.15648	0.8
212.07646	0.5
227.16368	3.4
288.69675	0.6
406.18454	0.9
407.18542	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	812.5429
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08150	8.7
62.98128	0.5
67.05511	1.1
67.92953	0.5
69.93077	0.4
71.07359	6.0
74.22968	0.4
74.26054	0.4
78.22578	0.6
81.07039	0.8
86.09693	48.6
93.07043	0.9
97.94681	0.6
98.98440	4.6
104.10721	3.2
104.41592	0.5
105.06995	1.3
119.08519	0.7
122.44468	0.6
124.99980	37.4
145.10120	0.6
184.07304	100.0
447.91318	0.6
812.54199	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	812.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
57.68676	0.6
60.08157	11.5
67.05490	1.1
69.53658	0.7
71.07364	3.9
79.05457	1.1
79.91621	0.8
81.07042	1.4
86.09694	44.9
89.10040	0.7
91.05457	0.8
94.02929	0.7
95.08597	1.2
95.31067	0.7
97.32872	0.8
98.98466	4.0
101.38706	0.7
104.10738	1.9
107.13707	0.9
118.53693	0.9
124.99987	31.1
142.55568	0.8
184.07306	100.0
185.07591	1.3
191.99403	0.8
253.60359	1.0
264.49438	0.9
357.86496	0.9
724.45410	0.9
794.53259	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	812.543
Annotation	Unknow
Peak:m/z	Relative Intensity
56.42434	0.2
56.50739	0.2
60.07867	0.4
60.08152	9.7
60.16661	0.2
65.03884	0.3
67.05502	2.7
69.07059	2.1
71.07350	4.6
76.08693	0.2
79.05467	3.9
81.06599	0.3
81.07040	5.9
83.04929	0.3
83.08627	0.4
86.09690	47.7
91.05464	4.1
92.08857	0.5
93.07022	6.4
95.04931	1.8
95.08572	3.8
97.06508	0.4
98.98444	3.7
104.10727	2.7
105.04501	0.3
105.06358	0.4
105.07018	6.7
107.08572	4.6
109.06470	0.6
109.10131	1.9
111.08018	0.3
115.05487	0.3
117.06989	1.2
119.08564	5.1
121.10122	2.5
123.08033	0.3
123.11696	1.0
124.99983	35.7
125.09601	0.2
129.06996	0.5
130.07745	0.3
131.08571	2.4
133.10115	2.4
135.11652	1.1
142.07748	0.4
143.00969	0.5
143.08539	1.0
145.10091	2.2
147.11659	1.7
149.09521	0.3
149.13174	0.4
156.09380	0.3
157.10110	1.3
159.11661	2.3
161.09492	0.3
161.13229	1.2
169.10086	0.3
169.70580	0.3
171.11700	0.8
173.13208	1.2
175.14822	0.3
184.07307	100.0
185.13161	0.3
187.14786	0.5
190.59109	0.3
195.11613	0.4
196.72289	0.3
197.13066	0.3
201.16335	0.4
209.13040	0.3
211.14769	0.3
247.74260	0.3
478.95886	0.3
726.46704	1.6
778.53210	1.3
812.53784	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	812.5432
Annotation	Unknow
Peak:m/z	Relative Intensity
56.90321	0.3
60.08154	8.2
61.15820	0.3
64.33302	0.3
67.05480	0.5
71.07364	4.0
72.93770	0.6
79.05459	0.5
83.77631	0.3
86.09690	42.6
92.08611	0.7
95.15893	0.3
98.98441	4.2
104.10709	2.2
104.77798	0.3
124.15819	0.3
124.99982	29.7
184.07304	100.0
283.06165	3.6
284.06491	0.7
301.07297	0.5
333.14932	0.8
334.15244	0.6
772.25616	0.4
776.52173	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	811.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	2.8
59.04967	0.6
61.02911	6.8
67.05486	10.8
68.07680	0.7
68.69402	0.7
69.03412	4.8
69.07048	3.7
70.81026	0.7
73.02895	3.7
74.12042	0.6
79.05476	8.4
81.03405	1.8
81.07032	15.0
83.04934	0.8
85.02866	5.6
91.03941	3.1
91.05452	6.2
92.08863	4.8
93.07011	12.3
95.01398	0.8
95.04972	3.1
95.08587	10.8
97.02880	7.2
97.06501	1.3
99.04420	1.0
101.02372	1.0
105.07001	10.0
107.08576	9.0
108.08932	0.7
109.06519	1.1
109.10159	1.6
113.29023	0.7
115.16799	0.9
116.13755	0.7
117.07017	1.7
119.08556	6.8
121.10133	4.1
123.11702	1.1
127.03891	1.4
129.06992	0.7
131.08557	3.0
133.10100	5.2
135.11687	3.1
143.08589	1.0
143.96317	0.8
145.10147	3.4
147.11717	1.3
159.11700	3.4
161.13211	1.0
169.10139	1.5
170.78418	0.9
184.07437	0.9
243.08473	1.4
315.19412	5.0
445.80853	0.8
455.02264	1.0
455.27850	0.8
519.29065	8.8
533.27240	4.9
811.49451	100.0
812.49976	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	811.4439
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	3.7
61.02898	8.9
64.06999	1.7
64.37504	1.6
67.05499	15.6
69.03416	7.3
69.07053	3.2
71.04974	2.9
73.02879	3.8
79.05464	12.8
81.03397	6.5
81.07047	18.6
82.44038	1.7
83.04948	2.9
85.02875	9.0
85.18259	1.6
86.09677	4.0
91.03941	2.0
91.05433	17.9
92.09364	7.3
93.07043	14.0
95.04932	8.0
95.08571	10.0
97.02866	8.5
105.07013	12.9
107.04940	3.4
107.08572	10.2
109.06532	2.1
109.10159	3.2
117.06985	3.0
119.08543	9.9
120.08913	2.3
121.10152	3.0
123.08017	1.8
124.99953	1.8
127.03889	2.0
129.06946	3.1
131.08574	4.0
132.06401	1.7
133.10077	3.6
135.11653	1.8
145.10114	2.2
147.11644	3.5
150.92511	1.8
151.07629	1.8
157.10123	2.5
184.07274	9.8
193.12184	2.1
236.16536	1.9
243.08305	7.1
248.97441	2.2
251.06561	1.7
255.75385	1.9
283.15164	9.8
405.44220	2.4
465.20795	21.4
501.23123	23.3
563.31512	3.5
640.04486	2.3
707.38855	8.8
713.36591	3.7
725.37024	100.0
793.42902	12.7
810.42096	8.6
811.44415	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	811.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
61.02937	9.2
67.05494	18.1
70.06586	2.5
73.02895	5.0
75.83822	2.5
79.05487	6.1
81.03438	3.7
81.07040	3.8
83.11901	2.9
83.21449	3.1
85.02890	12.7
90.29534	2.8
91.03958	6.1
91.05457	16.1
93.07009	3.0
95.04944	3.2
95.08544	3.3
97.02882	5.2
97.06604	3.0
97.07221	2.8
101.08545	2.6
107.04926	3.9
109.10159	14.9
119.08583	4.8
158.52870	3.0
201.11490	2.8
211.13275	3.2
243.08371	3.8
302.30661	4.5
413.17642	22.3
469.20389	18.6
524.91864	4.0
567.31805	4.5
641.31354	100.0
778.38922	3.4
811.40552	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	811.4084
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	2.2
60.08144	4.9
61.02904	7.5
65.66363	1.1
67.05477	6.2
67.12431	1.1
69.03396	2.2
69.07040	1.4
71.07336	1.4
73.02892	5.6
79.05457	7.3
81.03391	5.3
81.07018	8.3
83.04927	2.0
83.08585	1.9
85.02895	9.1
86.09682	26.7
87.10032	1.7
91.03916	4.8
91.05442	6.3
93.07024	5.9
95.04915	2.7
95.08578	2.5
97.02866	6.3
97.06520	1.2
98.98432	1.9
101.02339	1.6
104.10694	1.2
105.07004	2.9
107.04929	7.2
107.08609	1.8
109.06504	1.5
109.10117	1.7
119.08521	3.0
121.06429	1.2
121.10114	1.3
124.99963	17.4
125.09623	1.2
127.03882	2.2
129.05458	2.0
131.08569	1.4
133.10156	1.7
133.15135	1.1
136.14137	1.2
184.07295	73.4
185.04173	5.7
185.07671	6.7
201.03824	1.4
202.93134	1.3
202.94958	1.3
210.54202	1.3
234.22234	1.2
243.08395	2.6
301.08875	16.0
315.10367	4.9
349.19739	2.9
373.11005	5.0
383.16562	1.6
385.18195	7.8
443.19025	2.1
447.23334	1.5
457.20230	1.7
469.20212	10.7
485.20117	5.0
497.20331	2.1
533.34845	1.4
557.22046	1.7
567.27740	8.2
639.29681	2.3
641.31030	1.4
667.32660	6.6
709.36609	1.9
811.40942	100.0
812.41205	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	811.4079
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	2.8
61.02937	9.2
67.05494	18.1
70.06586	2.5
73.02895	5.0
75.83822	2.5
79.05487	6.1
81.03438	3.7
81.07040	3.8
83.11901	2.9
83.21449	3.1
85.02890	12.7
90.29534	2.8
91.03958	6.1
91.05457	16.1
93.07009	3.0
95.04944	3.2
95.08544	3.3
97.02882	5.2
97.06604	3.0
97.07221	2.8
101.08545	2.6
107.04926	3.9
109.10159	14.9
119.08583	4.8
158.52870	3.0
201.11490	2.8
211.13275	3.2
243.08371	3.8
302.30661	4.5
413.17642	22.3
469.20389	18.6
524.91864	4.0
567.31805	4.5
641.31354	100.0
778.38922	3.4
811.40552	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	810.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06302	0.2
58.06573	0.3
60.08150	8.9
67.05483	0.5
69.07087	0.3
71.07349	4.8
71.65935	0.2
75.20358	0.3
79.05460	1.1
81.07048	1.1
83.08591	0.2
86.09686	48.7
87.50179	0.2
87.64291	0.3
91.05470	0.6
93.07024	0.9
95.04934	0.3
95.08588	0.4
98.98445	4.5
104.10718	3.0
105.07027	1.2
107.08558	0.6
119.08553	1.0
120.54537	0.3
123.01653	0.3
124.99975	33.1
131.08620	0.2
143.00990	0.4
145.10065	0.3
159.11606	0.3
184.07295	100.0
185.07646	0.3
198.00325	0.3
256.21707	0.3
259.80072	0.3
347.73535	0.3
436.58118	0.3
438.16592	0.3
720.56763	0.3
792.51495	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	811.4068
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	20.7
59.31871	4.7
61.02910	29.8
67.05486	31.1
69.03415	10.4
69.07037	8.4
73.02898	12.6
77.08097	4.8
79.05485	20.3
79.84810	5.0
81.03397	19.5
81.07035	29.5
83.04963	9.6
83.08639	7.4
85.02892	30.9
89.38619	5.1
91.03930	20.5
91.05468	20.3
93.07014	10.3
95.04942	6.9
95.08574	6.6
97.02886	27.9
101.02374	7.2
102.16672	4.8
105.07026	8.1
107.04939	8.9
107.08582	7.2
119.08565	8.4
129.05490	6.0
131.08539	7.4
137.05959	8.7
143.22023	5.6
154.64450	5.0
157.89786	5.0
184.07281	11.5
185.04210	21.2
186.80862	6.3
193.12280	5.8
195.06268	7.3
201.03679	6.7
217.34840	5.2
243.08391	6.9
250.18416	5.1
301.08881	62.9
315.10382	10.1
342.89117	6.1
349.16299	7.8
373.10910	24.2
383.16672	10.7
385.18155	40.8
443.18976	8.9
469.20541	44.1
471.22415	5.6
485.19785	22.0
499.21188	9.2
501.22748	7.0
528.21686	35.2
541.22351	11.5
569.26257	9.0
583.30499	11.7
589.77777	4.9
611.30023	28.3
612.31219	38.1
625.31085	6.4
649.16290	5.3
653.31091	8.2
695.31799	26.1
811.43646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4292
Annotation	Unknow
Peak:m/z	Relative Intensity
57.02714	1.7
57.03416	3.5
61.02915	7.9
61.18305	1.8
63.81091	1.7
66.16662	1.9
67.05489	18.9
69.03418	5.0
71.04977	3.6
73.02911	4.0
79.05465	15.6
81.03407	11.3
81.07034	21.3
83.04958	4.4
83.08599	4.2
85.02888	4.5
91.03926	3.0
91.05462	22.2
93.07031	18.0
95.04967	9.1
95.08584	8.1
97.02892	4.3
97.06528	2.9
99.94153	2.4
105.06994	20.0
107.04952	8.6
107.08571	10.8
109.02841	2.5
109.06488	3.9
109.10143	3.7
117.06988	4.5
119.08550	9.7
120.39977	2.2
121.10099	8.5
129.06947	2.5
131.08546	4.7
133.10115	8.0
135.11786	2.3
138.22415	2.0
143.08504	3.7
145.10124	3.5
147.11702	3.8
148.58185	2.3
157.10133	3.8
159.11671	2.8
169.48817	2.0
175.11172	2.0
183.73793	2.3
184.59094	2.0
193.12184	3.3
211.54695	2.3
301.17627	2.3
501.22745	9.9
604.64502	2.5
809.42603	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	809.4275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	5.6
61.02922	7.2
64.18837	0.9
67.05484	17.3
68.81963	1.0
69.03423	5.5
69.07054	5.9
71.01334	1.2
71.04980	2.0
73.02911	2.7
79.05465	14.6
80.87097	1.2
81.03394	16.4
81.07030	17.8
82.07397	1.4
83.04972	4.6
83.08610	4.8
85.02896	6.7
85.06567	1.1
87.04459	1.2
91.03951	1.7
91.05450	14.0
93.07018	14.9
95.04958	9.2
95.08580	8.3
97.02887	6.4
97.10152	2.5
99.04442	2.1
101.02383	1.6
105.06997	12.7
107.04952	4.8
107.08585	8.7
109.06487	1.8
109.10172	6.1
117.07056	2.3
119.08540	8.3
121.06495	2.3
121.10139	6.5
125.09634	1.8
127.03941	1.7
129.07014	1.8
131.08591	5.7
133.10167	6.8
134.17271	1.1
135.11674	1.8
142.07774	1.3
143.08525	1.8
145.10136	6.2
147.11714	8.0
149.09644	5.6
157.10072	2.6
158.85777	1.0
159.11790	1.8
162.69583	1.2
170.99651	1.3
175.11220	1.7
184.07344	2.0
193.12238	2.2
223.13295	1.8
243.08353	4.9
267.15900	2.4
268.16364	1.5
283.15195	2.7
482.23254	1.2
501.22974	16.1
543.83942	1.5
549.26086	8.2
562.37518	1.7
665.31329	1.4
728.79755	1.2
808.45514	1.4
809.42761	100.0
810.43506	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	808.5563
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	17.7
57.07047	5.1
59.57693	1.0
61.02895	1.3
65.03910	1.6
67.05492	89.2
69.03425	1.7
69.07053	25.0
71.04972	2.3
77.03948	1.1
79.05473	75.9
81.07038	77.1
83.04951	2.0
83.08609	10.6
85.02860	4.1
85.06516	2.6
91.05463	71.0
92.09360	2.1
93.07022	100.0
95.04945	11.9
95.08585	57.1
95.09196	1.8
97.06488	2.4
97.10098	2.3
105.04491	1.9
105.07013	72.1
107.04927	1.2
107.08575	42.6
109.06512	2.1
109.10140	22.1
115.05418	1.7
117.06995	20.5
119.08556	56.6
121.10121	28.3
123.08027	1.4
123.11685	2.5
128.06197	4.4
129.06981	11.9
130.07675	1.2
131.08549	32.8
133.10107	37.5
135.11646	16.7
142.07716	1.5
143.08546	14.5
145.10103	22.2
147.11671	27.1
149.13264	10.4
155.08556	2.7
157.10095	11.7
159.11636	22.3
161.13234	21.1
163.11101	1.1
163.14803	2.0
169.10045	4.1
171.11688	11.6
173.13176	9.9
175.14796	7.3
177.12640	1.1
183.11655	2.4
185.13190	8.1
187.14815	2.4
197.13159	1.8
199.14798	7.4
203.81693	1.1
215.17921	1.3
231.21034	2.2
238.41907	1.4
241.19452	13.1
257.18808	5.0
259.20514	35.3
261.22028	4.7
315.23160	2.1
331.22360	2.2
333.24121	32.0
335.25748	54.4
337.27484	2.1
372.37708	1.2
487.53925	1.3
519.41888	2.2
593.45490	12.3
611.37122	2.0
611.46594	47.8
739.95532	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.569
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	9.0
64.19820	0.5
67.05477	1.2
67.90810	0.5
69.07053	0.8
71.07344	4.7
79.05482	0.7
81.07027	0.8
86.09688	47.5
90.11992	0.5
98.98422	3.4
104.10715	3.4
120.41438	0.6
124.83272	0.6
124.99060	1.3
124.99975	31.6
133.10138	0.6
147.11957	0.6
184.07303	100.0
231.90665	0.6
306.30478	0.7
325.00012	0.7
601.44574	0.7
601.59302	0.6
619.44849	0.9
650.43439	2.5
690.46326	3.4
772.54211	0.7
790.55273	3.1
808.56122	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	808.4684
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	26.7
57.07059	2.2
59.00459	0.8
59.04984	2.3
61.02908	4.8
64.64701	0.9
65.03922	1.5
67.05489	100.0
69.03413	9.2
69.07052	36.6
71.04971	7.0
71.08625	1.2
73.02901	3.6
75.57017	0.9
79.05472	57.7
81.03394	39.5
81.07034	75.6
82.03725	0.8
82.04189	3.5
83.04958	19.0
83.08606	27.5
85.02882	17.0
85.06531	6.1
86.09666	1.7
87.04447	1.2
91.03934	1.5
91.05457	57.7
92.08675	3.4
93.07018	47.7
95.04945	26.6
95.08578	36.4
97.02878	6.8
97.06513	16.8
97.10139	16.6
98.07295	4.9
99.08045	4.1
105.04499	1.0
105.07005	37.7
107.04921	16.0
107.08573	32.1
109.06484	11.6
109.10134	48.1
110.10470	1.2
111.04427	3.8
111.08048	13.3
113.05991	1.4
115.05435	1.3
116.04661	8.0
117.06986	14.4
119.08552	38.0
121.06516	7.2
121.10126	18.1
123.07279	0.9
123.07998	8.4
123.11690	4.0
125.09599	16.3
127.03904	0.9
128.06276	1.1
129.05453	22.8
129.06969	13.9
131.08548	22.2
133.06497	4.0
133.10106	23.2
133.77260	0.9
135.08025	5.4
135.11653	10.8
137.09598	9.3
139.11194	1.5
141.06956	1.0
142.07703	1.4
143.07040	4.0
143.08533	5.2
145.06458	1.3
145.10080	14.5
147.08049	5.5
147.11674	17.8
149.09612	15.0
149.13240	8.5
151.07471	1.0
151.11198	1.4
152.06128	1.0
153.09158	0.9
155.08510	1.7
155.10609	1.5
157.08696	11.4
157.10089	10.7
158.05737	1.1
159.11662	9.9
161.09622	1.9
161.13200	1.7
162.31606	1.0
163.11153	10.7
165.12692	4.7
171.06462	1.0
171.10095	4.2
171.11659	3.6
173.09610	1.0
173.10381	1.1
173.11717	12.8
173.13152	2.6
175.11131	9.7
177.12680	1.6
183.11693	1.4
184.07300	3.9
187.11140	1.3
189.11224	7.4
189.12709	1.3
191.10634	1.1
193.12175	19.0
195.13795	1.9
199.13281	7.0
209.11613	2.2
211.13222	17.1
215.17647	1.0
227.12758	9.9
229.14252	17.7
229.19489	1.2
237.16803	1.2
241.14272	1.2
255.15881	2.1
257.18909	5.7
267.15872	15.6
269.17468	9.9
271.88318	0.9
273.18390	1.0
275.20053	19.0
283.15350	6.1
285.16867	14.6
285.92422	1.1
291.19452	2.3
301.16382	25.5
311.22089	1.0
331.22705	1.1
345.05756	1.0
349.23575	14.6
365.23145	1.5
367.24695	4.8
371.24136	4.2
373.18539	1.2
383.24271	8.1
411.09827	1.2
411.26883	1.7
421.25769	5.3
423.27423	6.6
439.26834	16.4
452.92673	1.0
455.26349	16.5
461.28934	4.1
477.28632	4.1
479.29843	9.2
495.29462	12.5
541.35107	7.3
557.34070	2.2
559.36243	11.9
560.36224	1.1
575.35577	16.3
577.37140	4.4
593.36761	12.1
659.19019	1.2
762.68048	0.9
762.83612	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	808.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	27.1
57.07064	1.3
57.59716	0.9
59.04985	1.4
61.02905	5.0
64.58527	0.9
65.03921	1.6
67.05492	63.3
68.05840	1.5
69.03425	9.2
69.07058	29.4
71.04976	11.9
73.02892	1.9
79.05475	73.2
80.05809	2.2
81.03400	96.3
81.07038	100.0
82.03722	2.3
82.07380	6.3
83.04965	25.0
83.08111	1.4
83.08609	40.2
84.08941	1.6
85.02887	29.4
85.03359	1.5
85.06523	6.3
91.05463	82.8
92.05778	2.2
93.07027	63.0
94.07339	1.6
95.04945	56.1
95.08581	35.9
96.05296	1.7
97.02848	7.2
97.05959	1.5
97.06493	9.0
97.10133	13.0
99.04475	1.2
99.08070	2.2
102.79372	1.0
105.07017	62.1
106.07359	2.0
107.04932	28.6
107.08578	31.3
108.08921	1.7
109.06498	18.8
109.10132	14.2
110.10516	1.2
111.04433	6.2
111.08070	15.5
112.08419	1.4
113.05990	4.1
113.09615	1.1
115.05424	5.8
116.06315	1.0
117.01031	1.1
117.06994	21.2
119.04939	1.7
119.07711	2.2
119.08559	59.9
120.08912	4.9
121.06476	11.0
121.10119	26.7
123.04392	1.2
123.08021	15.9
123.11667	2.4
125.09620	7.8
128.06209	3.9
129.06981	23.6
131.04877	1.9
131.08548	33.0
132.08878	1.8
133.00481	1.2
133.06531	9.9
133.10106	31.5
135.08000	7.7
135.11664	10.4
137.05997	1.2
137.09604	8.1
142.07758	7.5
143.08575	10.0
145.06479	2.4
145.10114	24.3
146.10504	1.8
147.08023	15.4
147.11674	24.1
148.12000	2.4
149.09618	20.1
149.13248	1.3
151.11195	1.6
153.09117	1.2
155.08586	4.6
157.10120	25.6
158.10475	1.4
159.07979	1.7
159.11639	9.2
161.09578	10.2
161.13287	1.5
163.11186	13.2
165.09242	1.6
165.12717	7.9
167.08478	2.0
169.10005	2.1
171.07957	1.2
171.11603	5.1
173.09569	2.1
173.13240	3.8
174.39410	1.2
175.11165	21.9
177.12810	1.3
181.10097	1.5
183.11620	1.2
184.07318	3.9
185.09615	1.3
185.13280	2.4
187.11194	1.7
193.12207	45.6
193.13921	1.6
194.12611	1.2
195.11659	1.7
197.07231	4.0
199.11172	1.4
199.14711	1.1
211.13257	41.7
213.16328	1.2
227.17824	1.2
229.14342	1.3
245.19087	4.3
249.14880	2.5
249.37175	1.0
255.17308	2.2
267.15878	41.0
268.16159	10.3
269.16779	1.4
273.18448	21.5
275.19992	2.0
276.20361	1.6
277.21509	1.6
283.15463	2.0
285.16907	54.7
286.17316	1.6
291.19452	20.2
295.22723	2.1
309.16220	2.5
311.03848	1.2
327.17215	1.2
347.22064	6.3
349.23615	2.0
367.24533	2.1
368.24976	4.2
383.19754	24.6
401.20840	26.8
539.33478	3.9
542.35394	9.6
542.67932	1.2
543.36163	9.2
557.34808	11.9
559.35956	7.3
560.36664	16.5
561.37262	12.2
575.30371	18.4
593.24048	1.6
593.32129	45.5
611.24109	2.0
611.33405	51.6
611.43469	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	806.553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.5
57.07077	0.2
57.98540	0.2
60.08147	8.6
67.05486	1.2
69.07052	0.3
69.94984	0.2
70.05325	0.2
71.07353	3.6
73.02825	0.2
75.06364	0.2
79.05470	1.0
81.07023	1.7
83.08623	0.2
86.09684	43.8
87.09985	0.3
91.05446	1.3
93.07027	1.1
95.04934	1.1
95.08585	0.5
98.98437	3.6
104.04844	0.2
104.10712	3.3
105.07014	1.6
107.08540	0.5
109.06516	0.3
117.29521	0.2
119.08592	0.5
121.10146	0.4
124.99971	31.0
131.08559	0.3
133.10083	0.4
143.01012	0.4
145.10115	0.2
161.13429	0.2
182.26361	0.2
184.07292	100.0
185.07599	0.4
198.49744	0.2
525.20941	0.2
650.42798	1.3
690.47064	2.4
752.51611	0.4
770.53680	1.7
788.54114	2.9
806.55328	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	807.5199
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	5.3
67.58570	4.8
71.08634	4.1
79.26555	4.8
81.07013	5.2
82.57126	4.5
90.66178	4.7
91.05418	5.1
93.07023	5.7
93.62740	4.7
105.07025	5.6
107.08589	5.2
131.08623	4.5
145.10080	5.4
188.94313	4.5
193.86247	4.9
265.15390	5.2
551.27783	5.2
674.55884	5.3
768.66901	6.2
777.86121	5.6
807.52271	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.541
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03432	6.7
57.07070	0.7
65.03930	0.8
67.05495	36.9
69.07055	21.0
71.04968	0.9
79.05476	30.7
81.03416	4.7
81.03801	0.5
81.07040	43.4
83.04977	4.2
83.08603	6.1
85.02860	0.5
85.06535	2.1
91.05459	36.3
92.09302	0.6
93.07024	34.7
95.01316	5.2
95.04960	6.9
95.08589	27.7
96.29742	0.6
97.06514	12.4
97.10136	2.3
101.49445	0.5
102.86601	0.5
103.05421	0.7
105.04519	1.0
105.07015	50.4
107.04949	9.4
107.08582	13.9
109.06482	2.6
109.10152	8.6
111.04320	0.7
111.08058	0.8
114.41797	0.6
117.07004	9.3
118.02384	0.6
119.08564	29.2
121.06467	2.8
121.10120	9.6
123.04451	1.0
123.08018	2.8
123.11657	1.9
129.07008	1.1
131.07631	1.0
131.08543	16.0
133.10103	24.9
135.08037	2.3
135.11658	7.6
137.09567	0.7
139.57161	0.5
141.06992	0.7
143.08580	2.4
145.06465	0.6
145.10106	13.3
147.11678	10.8
149.09549	2.2
149.13271	2.6
151.11119	0.7
155.08601	0.7
157.10124	1.2
159.11641	6.7
161.13223	3.0
163.11136	1.3
169.10071	0.9
171.11682	1.2
173.13246	2.8
177.12738	1.1
179.14316	6.2
183.11678	1.2
187.11189	0.8
219.17403	10.9
226.97681	0.6
257.18991	2.7
275.19998	26.4
293.21198	0.8
335.25745	29.0
349.23651	14.5
583.48749	0.6
596.87744	0.5
609.45056	100.0
610.45361	3.2
700.01154	0.6
759.38861	0.7
837.55756	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
56.75000	0.7
57.03424	16.3
65.03912	1.8
67.05140	1.4
67.05486	38.5
68.71783	0.8
69.03416	4.1
69.07054	17.2
70.04288	0.8
71.04964	5.4
79.05467	40.3
81.03395	87.8
81.07031	40.8
81.99229	0.7
83.04959	12.6
83.08595	34.7
83.09089	1.2
85.02874	5.2
85.06500	2.0
87.04392	0.7
87.71991	0.7
91.05452	38.8
93.07013	35.4
95.04942	73.1
95.08580	23.1
97.02863	3.7
97.06500	6.5
97.10140	13.2
99.04444	4.9
99.08073	1.0
105.07008	34.2
107.04932	13.4
107.08567	26.9
109.05837	0.8
109.06479	8.3
109.10133	12.7
111.04412	8.7
111.08066	9.4
113.05995	1.3
115.05447	0.9
116.78271	0.8
117.06995	10.4
119.08553	28.8
121.06490	9.3
121.10110	21.0
123.08026	8.7
123.11712	1.7
125.09583	9.2
127.75211	0.8
128.06174	1.0
129.06963	13.2
131.08534	24.4
133.06496	4.1
133.10100	19.0
135.08023	5.3
135.11658	8.6
137.09576	3.5
139.11162	1.2
141.06964	1.2
142.07767	4.9
143.08527	5.4
145.06496	3.0
145.10089	20.2
147.08000	7.0
147.11662	16.3
149.09596	28.2
149.13229	1.1
151.11165	1.3
153.12749	1.7
155.08469	1.8
157.10104	14.3
159.08075	0.9
159.11667	9.0
161.09502	3.2
161.13228	1.9
163.11148	27.5
165.12724	4.1
169.10133	1.5
171.11658	1.7
173.13199	1.2
175.11116	12.0
177.12689	3.3
183.11700	1.2
185.13284	1.1
187.11072	4.0
189.11215	3.6
191.10664	0.9
193.12198	19.3
197.13171	1.6
205.12198	6.0
211.13295	3.7
223.13260	16.9
227.12732	1.7
239.17975	1.5
249.14680	1.3
257.18976	4.9
267.15829	75.3
270.19989	1.0
275.19998	25.9
291.19501	1.0
293.21063	13.3
316.08337	0.8
349.23651	15.4
367.24689	29.8
431.28598	1.1
433.25696	8.9
461.28549	3.2
467.31412	1.8
489.28085	1.1
523.34241	1.5
541.35114	27.2
542.35046	1.0
559.36151	100.0
560.36322	1.9
577.37305	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.489
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	27.1
57.07079	1.5
57.82374	1.2
59.05000	4.5
61.02912	2.8
65.03922	2.2
67.05492	100.0
69.03413	12.2
69.07056	36.7
71.01345	1.7
71.04969	18.7
73.02899	2.9
79.05477	71.7
81.03400	69.4
81.03814	1.3
81.07039	92.4
83.01359	1.6
83.04971	29.2
83.08611	31.0
85.02896	23.8
85.06537	7.4
86.76726	1.3
91.03939	1.9
91.04887	2.6
91.05460	81.9
93.07025	70.1
94.07323	1.6
95.04948	37.3
95.08595	35.9
97.02869	7.6
97.06516	23.1
97.10142	10.8
99.04414	2.7
99.08081	2.6
105.07012	54.5
107.04955	19.4
107.08578	41.2
109.02853	1.9
109.06509	18.5
109.10145	40.5
111.04430	9.2
111.08085	15.0
113.06033	1.6
115.05459	2.6
117.06992	22.4
119.08555	48.0
121.06485	8.7
121.10119	28.2
123.08058	9.9
123.11668	2.9
125.09606	9.9
127.03931	1.6
128.06184	2.0
129.05440	1.8
129.06978	20.3
131.08548	27.0
133.06482	6.6
133.10106	36.9
133.11041	2.4
135.08020	8.5
135.11690	13.6
137.05907	1.9
137.09586	7.9
141.06999	2.1
142.07779	2.9
142.97182	1.4
143.08569	6.4
145.10103	20.6
147.08043	6.6
147.11662	25.3
149.09593	15.3
149.13271	8.5
151.11089	1.8
155.08601	1.6
155.10530	1.3
157.10136	19.9
159.08008	2.0
159.10475	1.4
159.11629	12.7
161.09642	3.1
161.13213	2.5
163.11176	17.4
164.11557	1.2
165.09131	2.2
165.12743	2.7
169.10173	1.8
171.11574	2.3
173.09499	2.2
173.11702	6.6
173.13110	3.9
175.11198	15.9
177.12753	2.4
183.11708	2.3
184.07329	7.4
187.11221	1.5
189.11163	3.0
189.12679	1.9
191.10722	1.7
193.12222	34.0
195.13762	1.6
209.11742	2.1
211.13266	28.6
213.28625	1.6
223.13060	1.6
227.12770	8.1
229.14232	14.5
257.18942	5.9
267.15802	20.2
269.17456	7.0
273.18253	2.2
275.20081	11.5
283.15384	11.4
285.16968	28.3
291.19617	4.9
301.16394	1.9
312.79840	1.7
349.23569	12.3
413.21649	2.8
421.25586	8.3
437.25159	8.9
439.26840	36.4
443.27820	1.8
461.28845	23.4
477.28134	2.7
478.29218	1.7
479.29962	48.3
479.36404	1.7
541.35638	10.6
557.34412	6.3
559.36237	21.7
573.33765	8.5
575.35632	1.9
583.30811	2.0
591.36261	6.9
605.32623	2.0
623.34210	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	806.4892
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	24.3
57.07053	1.4
61.02915	3.3
65.03918	2.1
67.05490	55.5
67.44266	0.8
69.03420	6.1
69.07054	25.7
71.04969	7.5
73.06534	1.0
79.05473	59.0
81.03395	93.3
81.07034	100.0
82.07323	1.0
83.04964	19.1
83.08594	27.3
83.86668	0.8
85.02877	11.8
85.06512	5.5
86.09702	1.0
91.05460	63.4
93.07017	43.6
95.04944	39.3
95.08583	29.8
97.02865	4.4
97.06494	11.6
97.10159	7.4
99.04489	1.1
99.08041	3.6
101.05999	1.1
105.07009	47.1
107.04942	15.5
107.08572	26.7
109.02846	1.2
109.06493	23.2
109.10146	14.6
111.04420	3.8
111.08048	11.3
113.05983	0.9
115.05412	1.7
117.06986	13.7
119.04977	1.0
119.08557	40.7
121.06480	8.9
121.10108	23.2
123.08005	9.3
123.11670	7.7
125.09625	3.6
128.06181	1.0
129.05457	1.5
129.06984	18.3
130.07787	1.1
131.08545	24.8
133.06491	3.7
133.10109	25.3
135.07991	6.2
135.11673	10.0
137.09601	2.1
142.07767	3.7
143.08563	5.0
145.06459	1.3
145.10094	15.6
147.04335	1.0
147.08012	6.1
147.11665	24.5
149.09598	13.7
149.13252	5.4
151.11172	4.0
153.06836	0.9
155.08549	3.3
157.10086	18.7
159.07980	1.4
159.11603	7.1
161.09599	1.3
161.13245	3.8
163.11131	10.1
165.12704	5.9
169.10059	1.5
171.11638	2.1
173.09593	3.7
173.13243	4.1
175.11140	11.8
179.14401	1.1
181.12190	1.2
184.07303	3.9
185.09624	1.1
185.13234	1.3
187.11082	1.6
187.14822	1.3
191.10690	3.2
193.12216	25.9
197.13240	1.3
201.55861	0.9
211.13202	16.7
211.14804	1.3
227.12617	1.0
229.19420	1.8
239.17926	1.1
246.19019	0.9
249.14883	1.7
255.15825	2.1
257.18954	1.4
267.15854	78.8
275.20029	18.9
283.15356	5.9
285.16882	13.3
293.21021	5.7
301.16437	1.3
349.23669	9.8
367.24774	26.2
415.69846	0.9
446.43301	0.9
449.30109	1.1
453.28436	0.9
465.28198	2.1
467.31573	2.0
485.32495	3.4
493.27481	4.3
511.28748	1.7
523.33679	1.4
541.35132	40.3
559.36176	96.7
560.35950	2.0
573.37396	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	806.4537
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	30.3
57.07066	3.7
61.02918	4.3
65.03920	3.2
66.53677	2.2
67.05498	100.0
69.03416	13.6
69.07063	38.8
71.01347	1.8
71.04994	14.3
73.02909	4.9
79.05476	75.7
80.46541	2.2
81.03407	63.1
81.07043	99.7
83.04977	35.9
83.08613	33.5
85.02895	23.1
85.06552	3.4
91.04900	2.2
91.05466	67.9
93.07031	64.6
95.04961	50.6
95.08596	35.0
96.05726	1.8
97.02877	9.2
97.06522	26.0
97.10151	31.4
97.85097	2.0
99.04437	3.5
105.07027	49.5
107.04934	22.5
107.08574	37.2
109.02859	3.0
109.06491	18.5
109.10143	31.4
111.04427	11.8
111.08062	19.8
116.04693	11.0
117.07001	16.7
119.08566	40.1
121.06500	10.3
121.10154	19.9
123.04434	2.3
123.08044	24.1
125.09646	25.0
129.05478	27.4
129.06996	12.8
131.08545	33.1
133.06479	9.3
133.10129	24.7
135.08051	10.1
135.11693	10.8
137.09621	14.5
142.07776	2.7
143.07008	4.2
143.08611	4.7
145.06535	2.3
145.10101	21.9
147.08087	4.7
147.11618	15.9
149.09619	17.6
149.13240	3.4
151.11189	2.6
151.92166	2.0
153.09056	3.6
153.12778	2.8
157.08618	13.4
157.10123	21.4
158.05824	2.1
159.08095	2.9
159.11682	4.4
161.09656	9.5
163.11113	18.6
165.09090	2.3
165.12785	3.6
171.10190	4.8
171.11629	4.2
173.09589	3.5
173.11716	7.3
173.13210	3.3
175.11244	14.9
177.12657	3.2
181.12241	3.9
189.11224	15.1
191.10715	3.6
193.12225	33.5
199.13245	4.2
209.76443	2.1
211.13300	26.3
216.30382	2.0
223.13293	2.7
227.12856	20.5
229.14372	13.5
267.15869	12.7
273.18527	21.8
275.19940	7.3
283.15356	7.9
285.16901	20.5
291.19443	30.6
301.16364	26.5
347.22208	4.2
365.23019	20.8
383.24188	8.4
421.25684	4.0
437.25107	3.1
439.26825	33.2
461.29001	2.9
471.25616	2.2
479.29944	11.8
557.34564	11.1
559.35962	9.5
573.33789	8.0
574.34412	2.4
575.35571	4.7
591.35059	25.2
609.36145	24.9
610.36304	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	806.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	31.4
57.07068	1.6
59.04987	6.2
61.02904	5.5
63.26965	0.8
65.03928	2.1
67.05492	100.0
69.03419	10.1
69.07051	16.6
70.41216	1.1
71.04979	10.4
71.80682	0.9
73.02898	4.7
74.59736	0.9
78.77248	1.1
79.05475	52.5
81.03399	83.4
81.07037	63.6
83.04968	29.6
83.08606	24.4
85.02888	38.3
85.03284	1.2
85.06538	5.4
87.04453	4.0
91.03935	1.6
91.05458	55.4
93.07026	33.1
95.04948	37.4
95.08585	27.5
97.02872	9.6
97.06532	7.5
97.10156	16.6
99.04426	1.9
105.07014	36.6
105.49800	1.1
107.04941	11.6
107.08578	22.8
109.06503	11.1
109.10137	55.4
111.04420	2.2
111.08055	11.2
113.05960	1.7
115.05424	2.4
117.07001	4.7
119.08563	31.9
121.06500	1.9
121.10107	13.0
123.08061	4.1
123.11694	2.2
125.09608	9.9
126.10429	1.0
128.06181	1.0
129.05449	4.2
129.06969	16.9
131.08543	17.4
133.06480	2.4
133.10143	16.3
135.11681	6.6
137.09581	6.8
142.07739	2.3
143.08562	1.5
145.10094	9.0
147.07980	2.3
147.11682	19.5
149.09587	7.6
153.12764	1.7
155.10605	1.6
155.29727	1.1
157.08904	1.8
157.10085	14.4
163.11172	8.2
165.06889	1.1
165.12718	4.0
173.11732	14.9
175.11188	14.8
181.12225	1.4
193.12198	39.6
199.13409	2.1
209.11665	1.9
211.13255	55.5
227.12842	5.6
229.14316	26.6
252.57269	1.0
253.14365	1.4
267.15839	17.4
283.15244	2.1
285.16895	41.3
301.16531	9.1
399.23587	9.8
406.97223	1.1
421.25818	7.3
423.27118	1.5
427.26413	2.1
439.26862	29.4
493.27930	2.1
511.29230	8.3
606.28156	1.2
609.36298	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	806.4525
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	40.6
57.03709	1.4
57.07051	2.4
59.04992	2.9
61.02912	8.3
65.03925	5.4
67.05489	98.4
69.03407	18.0
69.07055	30.1
69.14545	1.2
71.01353	2.0
71.04976	9.1
73.02891	6.6
77.37843	1.2
79.05000	1.7
79.05473	76.0
81.03398	100.0
81.07037	80.0
82.62114	1.2
83.04966	38.9
83.08594	39.5
85.02889	40.6
85.06541	5.8
91.03951	1.9
91.05457	84.4
93.07019	54.2
93.32086	1.4
95.04945	53.5
95.08581	31.7
97.02865	17.5
97.06516	11.5
97.10158	28.1
98.07279	2.8
99.04438	2.3
99.08088	1.4
101.06028	1.4
105.07006	56.0
105.66994	1.7
107.04932	20.2
107.08565	30.1
108.38899	1.2
109.02890	1.9
109.06497	14.2
109.10132	37.7
111.04424	6.5
111.08035	15.9
113.06020	2.0
114.29879	1.2
115.05425	2.9
116.04689	5.9
116.19247	1.4
117.05491	1.5
117.07001	16.7
119.04826	1.4
119.08562	39.5
121.06474	6.1
121.10129	22.2
123.04434	2.7
123.08060	7.6
123.11668	3.1
125.09624	16.0
127.03918	2.8
127.11153	1.4
128.06201	1.8
129.05475	13.9
129.06985	20.0
131.08539	27.5
131.95967	1.5
133.06453	7.5
133.10097	24.0
135.08035	6.1
135.11694	7.7
136.08818	1.3
137.09610	9.3
138.84029	1.5
142.07777	5.3
143.07010	2.9
143.08562	3.4
143.54340	1.3
145.10132	13.6
147.08057	9.5
147.11685	29.0
149.09596	12.4
155.08630	1.9
155.10622	1.6
157.08629	7.7
157.10110	22.1
159.11665	4.5
163.11108	13.9
165.12712	6.3
171.06447	2.2
171.10178	1.6
171.11630	2.2
173.09612	2.7
173.11713	6.2
175.11154	18.7
175.18896	1.5
189.11139	3.2
193.12210	50.4
199.13271	11.2
209.11668	7.9
211.13248	59.1
227.12709	9.1
229.14284	7.4
249.14645	2.0
267.15817	27.8
275.20129	1.8
283.15363	14.1
285.16934	40.2
301.16418	18.0
335.22192	1.5
339.17868	1.9
349.23779	1.7
409.25778	6.6
421.25681	3.4
427.26736	9.0
437.25198	1.5
439.26791	28.9
459.26764	1.9
475.26678	3.0
476.27463	2.6
477.28445	2.3
479.29901	2.0
493.27692	11.2
511.28891	34.9
536.97693	1.5
541.35223	5.9
559.35999	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	806.4067
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	22.7
57.07037	3.0
59.04988	2.6
61.02892	5.1
61.21528	1.9
65.03895	2.6
67.05150	2.5
67.05486	63.3
69.03396	11.6
69.06697	3.5
69.07043	32.2
71.01352	2.9
71.04964	9.7
75.35690	2.2
79.05053	4.1
79.05470	70.1
81.03403	24.3
81.07024	97.9
81.96442	2.6
83.01306	10.6
83.04530	2.2
83.04936	23.7
83.08602	26.1
85.02873	6.0
87.86832	2.4
88.35464	2.0
91.05446	64.7
91.46597	2.3
93.07013	76.4
95.04942	31.4
95.08563	31.5
97.02853	4.5
97.06499	10.5
97.10130	5.0
99.04413	5.2
105.07011	47.9
107.04948	29.1
107.08572	41.0
109.06508	20.3
109.10167	22.5
110.10414	3.2
111.04401	2.9
111.08041	4.3
111.39995	2.2
115.05463	3.2
117.06988	33.1
119.08560	47.7
121.06464	13.8
121.10108	31.7
123.08052	30.4
125.09624	9.0
125.20219	3.1
128.06184	2.7
129.06955	16.9
130.07724	3.5
131.08542	27.7
133.10062	17.1
135.07997	6.0
135.11690	20.7
137.09613	3.1
141.06920	2.5
143.08551	18.4
145.10074	40.0
147.08018	16.3
147.11624	3.7
149.02330	19.1
149.09581	18.6
150.02557	3.2
155.08461	3.1
157.10091	12.7
159.11603	12.0
161.09586	14.3
161.13181	2.7
163.11115	35.9
171.11542	9.3
173.09596	3.2
175.11143	5.2
183.05779	2.6
189.12646	4.3
191.10547	3.5
193.04883	12.8
194.05237	4.3
209.11699	4.3
227.12523	3.8
267.15552	3.7
273.18329	22.1
283.15329	100.0
284.15561	4.3
285.16837	4.8
291.19482	30.0
347.21970	4.6
383.19592	20.9
401.20715	37.1
497.23270	3.1
555.32959	12.8
573.33600	11.3
591.30713	40.4
609.31750	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	21.0
67.05495	100.0
69.03403	12.0
69.07039	27.9
71.04973	8.4
71.90891	4.5
76.56810	4.7
79.05472	77.8
81.03401	64.2
81.07041	96.2
83.04958	26.4
83.08618	8.3
84.79931	4.5
85.02877	11.9
86.09669	23.9
91.05456	55.8
92.08684	5.9
93.07011	77.6
95.04957	35.7
95.08586	57.3
97.02862	11.9
97.06476	7.8
97.10124	8.8
105.07012	56.6
107.04875	6.3
107.08559	51.4
109.02849	7.5
109.10166	35.5
111.04435	5.7
117.06988	20.0
119.08537	31.8
121.06471	5.7
121.10139	11.9
124.99992	8.9
128.76532	5.1
129.06943	7.5
131.08548	19.7
132.87750	5.3
133.10139	10.6
145.10071	7.8
147.11693	11.0
157.10043	6.1
159.11676	9.0
163.11125	6.8
173.04407	11.9
184.07295	30.9
184.79131	5.7
334.09760	5.9
335.25601	40.0
382.69397	5.9
411.31186	5.1
425.44690	5.7
465.49069	5.3
489.35562	43.0
543.36261	6.2
561.37738	27.8
689.42157	8.9
830.68317	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	804.5379
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05010	0.7
57.07062	0.2
57.23522	0.2
58.06578	0.3
60.08151	9.2
65.50300	0.1
65.54308	0.1
67.05486	0.9
71.06989	0.3
71.07355	5.0
79.05479	0.6
81.07024	0.8
86.09688	47.1
91.05449	0.3
93.06998	0.7
95.08575	0.7
98.97857	0.2
98.98445	3.9
104.10728	3.9
105.06999	0.7
107.08578	0.3
109.10158	0.4
121.10142	0.2
124.99976	33.2
131.08537	0.2
143.01015	0.8
164.81729	0.2
174.19403	0.1
184.07301	100.0
185.07674	0.7
388.44150	0.2
491.72739	0.2
496.34024	0.2
501.78870	0.2
654.41382	0.3
768.52014	0.2
786.52197	1.5
794.44458	0.2
804.53638	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	805.5061
Annotation	Oligomycin B
Peak:m/z	Relative Intensity
57.07071	4.9
62.25386	3.6
62.98134	3.1
65.81783	3.3
67.05473	4.2
67.20264	3.2
79.05473	4.5
80.72697	3.6
81.07036	6.5
85.10162	5.2
91.05408	5.7
95.08594	5.2
105.72663	3.6
121.10146	4.2
149.29083	3.8
301.61292	4.8
326.56387	4.5
417.60889	4.3
441.51694	4.5
511.27982	6.0
530.81305	4.0
531.25446	7.0
787.49408	100.0
805.50684	59.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	805.5083
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	14.7
59.26519	2.2
60.08152	10.2
67.05489	51.1
69.07052	9.5
70.52920	2.0
71.07368	2.8
79.05468	48.7
81.03429	2.7
81.07033	65.0
81.07478	3.8
83.04980	2.9
83.08596	5.0
85.06535	4.7
85.92950	2.1
86.09683	44.3
87.10024	2.3
89.06015	2.9
91.05450	33.5
92.08637	6.0
92.09258	13.6
93.07015	34.7
95.04950	23.3
95.08556	19.7
97.10155	3.1
98.98464	3.5
105.04510	2.1
105.07004	22.3
107.04928	8.2
107.08603	16.8
107.23499	2.0
109.06493	45.5
109.10151	5.2
111.04418	2.8
113.05963	7.9
117.07009	13.2
119.08562	19.1
121.06495	4.7
121.10093	15.6
123.08054	3.6
124.99963	33.0
129.06975	3.5
130.07742	2.9
131.08563	12.7
133.06502	3.6
133.10115	8.6
135.08037	16.8
135.11682	3.7
143.08585	2.9
145.10136	10.8
147.08051	8.3
147.11664	3.1
147.27661	2.0
149.09676	2.7
149.74277	2.3
151.94368	2.5
159.11697	3.8
161.09612	8.5
163.60274	2.1
175.11163	2.3
184.07298	100.0
185.07700	5.1
249.14893	3.4
252.02417	2.6
273.18530	17.9
291.19427	42.6
335.25665	16.4
347.22357	2.9
365.23468	5.8
389.23743	2.4
400.36673	2.2
598.09070	2.7
607.43524	3.4
625.44598	39.6
719.13788	2.7
805.53125	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	804.4727
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	15.6
57.07041	0.8
58.82969	0.9
61.02905	0.8
65.03921	1.8
67.05141	2.1
67.05492	48.6
67.05848	1.9
69.03411	10.0
69.07052	27.0
69.07404	1.5
71.04979	4.5
73.02897	1.3
79.05470	39.3
80.18062	1.0
81.03395	82.8
81.07036	47.3
83.04967	12.7
83.08606	24.9
85.02874	4.3
85.06532	2.1
91.05457	42.7
93.07016	35.0
93.07563	1.6
95.04942	36.5
95.08578	21.1
97.02850	12.6
97.06509	6.3
97.10146	15.9
103.05383	1.1
105.07002	31.9
105.07652	1.4
107.04926	17.1
107.08569	26.6
109.06492	10.6
109.10141	15.7
111.04433	4.5
111.08061	6.1
113.95781	0.9
115.05449	1.3
117.07008	14.9
119.04909	1.5
119.08544	25.9
121.06473	8.6
121.10129	13.9
123.04436	1.0
123.08070	7.2
123.11662	1.7
125.09594	9.5
128.06158	1.7
129.06967	13.9
130.07671	1.0
131.08542	18.6
133.06458	6.8
133.10101	19.8
135.08008	7.4
135.11665	6.0
137.09589	5.8
142.07761	3.7
143.08542	8.1
145.06487	1.8
145.10086	13.2
147.08037	8.4
147.11644	13.0
149.02266	1.6
149.09596	9.3
149.13269	1.2
151.11133	4.4
152.34480	1.1
155.08549	1.8
157.10078	12.4
159.11626	1.9
161.09552	5.5
161.13214	1.6
162.10370	1.2
163.11130	8.6
165.12755	1.2
165.87428	1.0
169.10088	1.1
171.11639	2.1
173.13225	1.5
175.11160	10.3
185.13348	1.3
189.11195	2.1
191.10562	1.6
193.12225	14.7
199.11148	1.2
205.12271	2.2
211.13243	1.9
223.13248	19.6
227.12633	7.3
229.14334	1.3
249.14787	4.2
253.14305	6.9
267.15851	54.9
273.18408	10.5
283.15225	1.2
287.20093	1.2
291.19489	72.3
313.21689	2.0
365.23154	32.6
437.25061	1.5
445.25470	5.2
459.27283	5.1
463.26947	1.3
476.30286	1.0
477.28317	1.6
539.33667	8.1
557.34631	100.0
558.34656	2.1
575.35883	4.4
589.36957	1.4
607.37335	1.5
839.47522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	38.3
57.07059	8.0
59.04977	3.5
61.02909	8.5
65.03912	3.0
67.05135	4.0
67.05489	95.2
69.03416	15.5
69.07050	39.2
71.04972	14.0
73.02896	8.0
73.06561	1.7
79.05471	86.8
81.03400	39.3
81.07034	100.0
82.04166	2.6
83.01315	9.8
83.04953	29.5
83.08602	37.7
84.53098	2.0
85.02876	16.4
85.06516	4.2
91.05455	68.5
93.07021	72.7
95.04936	40.1
95.08577	32.6
97.02883	14.3
97.06514	24.2
97.10152	29.1
98.07262	4.0
99.00799	2.9
105.07014	48.3
107.04944	29.9
107.08582	52.3
109.02883	11.2
109.06511	20.4
109.10142	43.2
109.66307	1.7
111.04438	11.0
111.08055	12.1
115.05406	2.5
116.04686	10.4
117.06989	20.5
118.85517	1.8
119.08552	41.2
121.06456	15.5
121.10130	17.5
123.04411	9.5
123.08030	16.3
123.11732	4.1
125.09591	28.3
128.06245	2.9
129.05472	40.0
129.06984	12.2
131.04849	2.1
131.08540	18.4
133.06479	9.8
133.10097	27.6
135.08017	22.0
135.11681	17.3
137.09602	7.6
143.06909	6.3
143.08549	8.8
145.06503	5.0
145.10129	29.5
147.08003	9.9
147.11685	11.8
149.09616	9.6
149.13187	2.8
153.09059	9.5
153.12750	4.3
155.08516	3.6
157.08585	17.7
157.10045	7.8
159.08034	8.5
159.11687	5.0
160.25745	2.2
161.09584	10.3
163.07547	3.8
163.11139	30.4
165.09019	3.3
165.12759	3.6
171.10141	4.5
173.09563	9.5
173.11728	7.7
175.11195	3.9
181.12227	8.6
183.11751	2.6
189.09543	2.2
189.11191	13.0
191.10634	2.2
193.12190	23.9
195.89771	1.9
199.13196	3.1
209.11757	7.7
227.12717	18.8
229.14285	20.7
267.15894	9.4
271.16916	4.7
275.20105	4.8
283.15366	47.4
289.17853	20.1
291.19373	3.3
295.15375	2.3
301.16357	40.5
339.56516	2.3
349.23584	3.4
363.21423	2.2
381.22601	46.6
422.23013	2.4
437.25241	39.1
474.50079	2.2
477.28387	32.3
521.27368	4.3
539.33600	2.1
555.33173	3.1
557.34619	21.2
571.33337	3.1
573.34265	8.8
589.33740	9.6
607.34595	86.3
621.32031	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4726
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03416	22.7
67.05486	89.0
69.03401	3.5
69.07066	28.0
71.04967	11.6
79.05473	65.8
81.03397	100.0
81.07036	84.4
83.04954	20.4
83.08608	26.2
85.06515	5.5
91.05456	85.2
93.07022	57.7
95.04935	48.5
95.08572	35.1
97.02840	5.6
97.06487	14.4
97.10140	5.1
97.40897	2.6
99.65706	2.5
102.42107	2.5
104.05264	2.5
105.06290	2.8
105.07005	85.4
107.04934	19.2
107.08581	47.0
109.06487	16.7
109.10136	71.6
111.08047	6.3
117.06990	13.6
119.08564	37.8
120.90015	2.7
121.06479	14.4
121.10106	17.9
123.08090	5.0
123.11634	5.6
125.09608	3.9
129.06967	18.3
131.08562	22.1
133.06454	5.9
133.10085	72.3
135.08049	5.3
135.11674	11.5
137.09518	3.2
142.07779	3.6
143.08521	3.3
144.04428	2.7
145.10098	18.0
147.08015	10.6
147.11661	12.0
149.09612	13.3
151.11185	29.4
153.12704	3.2
155.08478	3.2
157.10088	13.7
159.11617	4.4
161.09599	10.8
163.11157	5.3
171.11618	3.0
173.09605	4.0
175.11060	5.5
179.10600	4.2
193.12236	20.0
227.12753	5.5
229.14311	4.8
253.14262	63.5
267.15854	54.3
273.18381	12.3
275.19925	3.0
283.15335	13.0
287.19766	3.4
291.19534	13.2
365.23105	28.4
445.25708	13.5
453.75436	2.8
463.26801	26.7
539.33466	17.6
557.34570	94.0
575.34985	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	804.4725
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03424	38.3
57.07059	8.0
59.04977	3.5
61.02909	8.5
65.03912	3.0
67.05135	4.0
67.05489	95.2
69.03416	15.5
69.07050	39.2
71.04972	14.0
73.02896	8.0
73.06561	1.7
79.05471	86.8
81.03400	39.3
81.07034	100.0
82.04166	2.6
83.01315	9.8
83.04953	29.5
83.08602	37.7
84.53098	2.0
85.02876	16.4
85.06516	4.2
91.05455	68.5
93.07021	72.7
95.04936	40.1
95.08577	32.6
97.02883	14.3
97.06514	24.2
97.10152	29.1
98.07262	4.0
99.00799	2.9
105.07014	48.3
107.04944	29.9
107.08582	52.3
109.02883	11.2
109.06511	20.4
109.10142	43.2
109.66307	1.7
111.04438	11.0
111.08055	12.1
115.05406	2.5
116.04686	10.4
117.06989	20.5
118.85517	1.8
119.08552	41.2
121.06456	15.5
121.10130	17.5
123.04411	9.5
123.08030	16.3
123.11732	4.1
125.09591	28.3
128.06245	2.9
129.05472	40.0
129.06984	12.2
131.04849	2.1
131.08540	18.4
133.06479	9.8
133.10097	27.6
135.08017	22.0
135.11681	17.3
137.09602	7.6
143.06909	6.3
143.08549	8.8
145.06503	5.0
145.10129	29.5
147.08003	9.9
147.11685	11.8
149.09616	9.6
149.13187	2.8
153.09059	9.5
153.12750	4.3
155.08516	3.6
157.08585	17.7
157.10045	7.8
159.08034	8.5
159.11687	5.0
160.25745	2.2
161.09584	10.3
163.07547	3.8
163.11139	30.4
165.09019	3.3
165.12759	3.6
171.10141	4.5
173.09563	9.5
173.11728	7.7
175.11195	3.9
181.12227	8.6
183.11751	2.6
189.09543	2.2
189.11191	13.0
191.10634	2.2
193.12190	23.9
195.89771	1.9
199.13196	3.1
209.11757	7.7
227.12717	18.8
229.14285	20.7
267.15894	9.4
271.16916	4.7
275.20105	4.8
283.15366	47.4
289.17853	20.1
291.19373	3.3
295.15375	2.3
301.16357	40.5
339.56516	2.3
349.23584	3.4
363.21423	2.2
381.22601	46.6
422.23013	2.4
437.25241	39.1
474.50079	2.2
477.28387	32.3
521.27368	4.3
539.33600	2.1
555.33173	3.1
557.34619	21.2
571.33337	3.1
573.34265	8.8
589.33740	9.6
607.34595	86.3
621.32031	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4371
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03173	1.5
57.03427	30.5
57.07062	2.6
59.04980	1.9
59.79426	0.9
61.02916	9.0
65.03893	4.0
67.05145	2.3
67.05490	57.8
69.03419	10.6
69.07055	36.9
71.04980	8.6
73.02894	7.0
74.54786	1.0
79.05473	65.6
80.06251	1.7
81.03399	34.5
81.07035	72.1
82.04169	4.8
83.01315	2.5
83.04972	29.2
83.08601	29.6
85.02879	12.8
85.06543	2.3
87.04446	1.2
91.05458	55.5
93.07021	55.2
95.04942	30.1
95.08582	22.7
97.02853	11.1
97.06506	18.1
97.10146	30.0
98.07285	6.8
99.00787	4.6
99.04419	1.8
99.08042	1.6
103.05447	2.3
105.07005	37.3
107.04932	21.2
107.08574	39.2
109.02866	9.9
109.06499	18.5
109.10141	19.4
111.04434	7.9
111.08052	11.6
115.05426	1.9
116.04689	18.7
117.06997	16.5
119.04913	2.1
119.08554	31.2
121.06493	13.5
121.10104	12.5
123.04408	8.7
123.08080	9.6
125.05931	1.9
125.09597	34.3
127.03893	1.3
129.05453	46.7
129.06905	9.4
130.07770	2.6
131.04912	1.5
131.08527	16.7
133.06459	6.1
133.10095	25.4
135.08025	21.9
135.11690	12.1
137.05957	2.4
137.09583	7.5
139.07498	2.2
141.06950	1.2
142.07771	1.4
143.07021	9.3
143.08545	6.4
145.06464	6.3
145.10106	12.4
147.08018	7.1
147.11711	9.5
149.05891	1.1
149.09578	7.7
151.07549	1.4
151.11177	4.3
153.09059	5.2
153.12704	5.2
155.08525	2.6
157.08569	18.3
157.10091	8.7
159.08046	7.9
159.11659	1.1
161.09599	11.4
163.07501	10.9
163.11142	10.9
165.12698	2.4
169.10161	1.2
171.06508	1.7
171.10133	6.3
172.06178	1.0
173.09570	7.0
175.11133	5.0
179.10629	5.4
181.08623	1.2
181.12227	2.6
184.07216	1.4
185.11761	1.6
187.11230	1.4
189.09276	1.9
189.11166	14.7
191.10603	2.7
193.12183	27.1
199.13258	7.8
200.14000	1.9
203.14304	1.1
204.82509	1.1
209.11678	2.1
211.13274	4.6
213.14680	1.2
219.13652	1.6
227.12709	17.6
229.14209	2.0
233.15044	1.3
239.12698	5.4
243.17506	1.8
261.18362	2.6
267.15878	9.9
271.16846	7.3
283.15311	15.6
285.16803	1.5
287.16507	1.5
289.17963	20.3
301.16403	64.2
307.18887	4.8
313.16348	2.3
319.21344	1.3
363.21613	8.4
381.22644	60.3
435.23871	1.4
437.25290	5.4
465.25018	1.2
475.26349	1.8
477.28204	5.2
503.26517	1.3
517.31226	1.6
520.70764	1.2
521.27069	5.4
525.57428	1.1
535.32355	4.4
555.32916	2.4
557.34290	2.5
572.32916	1.7
573.34247	8.3
589.33746	10.4
590.34021	1.9
607.34625	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4373
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03145	1.2
57.03427	34.4
57.07064	4.2
59.04984	5.1
61.02913	7.1
63.88356	1.0
65.03924	4.0
67.05492	76.4
69.03419	10.9
69.07056	36.1
71.01340	6.6
71.04983	9.6
72.99595	1.1
73.02897	6.2
73.06538	1.2
74.66985	1.0
79.05476	78.0
81.03395	36.9
81.07038	100.0
82.88969	0.9
83.01326	13.9
83.04965	28.1
83.08607	32.9
85.02885	16.3
85.06532	4.0
91.03945	2.2
91.05459	62.0
92.09330	2.8
93.07021	65.0
94.04185	1.3
95.04945	35.7
95.08582	30.1
96.05759	1.4
97.02862	24.3
97.06508	17.3
97.10149	18.4
98.07311	1.3
99.04448	6.4
101.02364	1.2
103.05457	2.2
105.07014	40.7
107.04945	30.9
107.05621	1.8
107.08575	43.4
109.02890	1.7
109.06503	42.4
109.10142	37.7
111.04443	9.5
111.08076	11.8
114.46126	1.0
115.05416	2.2
116.04686	6.2
117.06997	23.5
119.04927	1.9
119.08555	41.5
121.06489	14.3
121.10121	21.6
123.04433	8.5
123.08059	21.3
125.05970	2.0
125.09602	15.9
127.11147	1.2
128.06239	1.5
129.05464	19.6
129.06970	10.4
130.07779	1.8
131.08533	22.0
133.06476	8.3
133.10106	16.8
135.04399	1.3
135.08043	17.0
135.11668	21.6
137.06021	1.8
137.09583	26.0
138.10353	1.2
139.07529	1.3
143.07030	6.3
143.08530	9.5
145.06503	4.8
145.10115	35.2
147.08025	13.2
147.11700	7.2
149.09590	9.4
151.07539	2.0
151.11176	2.1
153.09084	6.6
153.12726	5.6
155.08531	2.3
157.08725	8.4
157.09901	8.6
159.08040	4.9
159.11667	5.4
161.09613	12.0
163.07553	1.4
163.11140	37.7
165.09099	6.5
171.06580	1.6
171.10181	4.3
171.11626	1.9
173.09644	9.2
173.11723	6.3
175.11188	7.4
177.12697	3.9
179.10646	1.4
181.12222	3.8
189.11218	6.7
189.12729	1.5
191.10643	5.9
193.10577	1.5
193.12161	11.8
209.11688	8.4
213.12805	1.0
219.13918	1.2
221.11736	4.7
223.13345	1.4
227.12721	11.5
229.14333	5.6
239.12686	2.0
245.19041	1.4
261.18600	1.4
265.14325	1.3
267.15851	12.6
273.18414	22.9
275.20044	1.2
283.15347	68.5
284.39087	1.2
289.17957	5.6
291.19522	19.0
295.15265	3.5
313.16302	1.5
337.16464	2.3
347.22058	5.9
363.21552	2.2
365.19180	1.6
365.23148	14.3
379.20944	2.0
381.22626	4.7
399.23676	23.3
425.25229	1.3
437.25162	30.8
477.28284	9.3
521.26709	4.1
539.33356	5.7
555.32959	11.0
557.34625	35.4
563.64606	1.2
572.32770	1.7
573.34100	31.5
588.08551	1.2
589.33569	5.9
590.34741	1.9
607.34698	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	804.4375
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03175	2.5
57.03428	44.6
57.07062	7.5
59.04982	10.3
60.04508	3.7
60.77572	1.5
61.02906	12.6
65.03924	2.5
67.05140	3.7
67.05491	100.0
69.03417	22.0
69.07054	27.4
71.01332	3.1
71.04984	14.9
73.02888	9.2
79.05476	88.9
80.06252	1.9
81.03398	58.1
81.07038	88.4
82.04153	2.6
83.01337	21.1
83.04964	42.6
83.08597	40.6
85.02882	23.9
85.06541	3.7
87.04442	1.7
90.05406	1.7
91.03926	2.8
91.05462	66.3
93.07020	85.1
95.04948	47.6
95.08582	36.5
97.02850	21.9
97.06501	19.2
97.10143	27.5
98.07296	2.4
99.04422	8.2
103.05453	2.6
105.07017	44.9
107.04942	30.3
107.08573	48.6
108.08912	1.9
109.02905	4.0
109.06498	27.0
109.10146	41.2
111.04419	8.2
111.08062	10.6
115.05414	3.8
116.04683	7.3
117.06999	31.8
119.08559	36.6
121.06471	13.6
121.10109	23.3
123.04379	3.8
123.08022	21.0
123.11685	2.4
125.06022	3.5
125.09605	22.4
127.03840	6.8
129.05441	21.7
129.06970	13.5
130.07678	3.4
131.04878	3.7
131.08571	24.3
133.06462	3.4
133.10094	16.1
135.08044	14.4
135.11670	25.6
137.09613	13.6
142.07759	2.8
143.08562	7.0
145.06422	2.0
145.10109	43.7
147.07996	11.6
147.11638	2.9
149.09592	7.9
151.11172	3.3
153.09073	2.5
153.12726	4.2
155.08530	4.3
157.08601	9.3
157.10110	9.6
159.08038	2.2
161.09544	2.4
163.11131	57.4
165.08920	2.0
169.10098	2.3
173.09563	11.8
173.11743	6.0
173.13103	2.5
175.11073	2.3
181.12207	7.5
189.11165	3.9
191.10657	9.9
193.12180	8.7
199.13194	17.7
209.11725	19.0
211.13295	2.6
223.13274	2.4
227.12709	15.4
229.14212	2.9
253.14348	4.4
267.15823	11.7
283.15356	97.7
284.16113	2.1
291.19489	15.3
301.16434	32.2
316.28342	3.8
337.16385	3.1
357.07544	1.9
365.23209	7.3
407.24097	4.6
425.25256	24.9
437.25220	41.2
445.29382	11.5
475.26981	3.8
477.28601	2.2
491.26202	11.5
492.26938	7.9
493.27652	3.0
509.27283	72.0
512.81116	2.0
530.06903	2.0
556.32965	3.4
557.34607	22.7
575.35156	2.5
589.33002	2.5
640.17389	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	804.4383
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03421	25.0
57.07070	1.8
59.04982	8.8
60.82018	1.8
61.02901	4.0
67.05144	3.5
67.05492	100.0
69.03411	9.2
69.07060	19.0
71.01321	3.3
71.04961	8.0
72.65942	1.7
73.02872	2.5
75.63452	1.7
79.05475	52.9
81.03403	21.9
81.07040	56.5
83.00871	1.8
83.01324	12.8
83.04967	19.2
83.08604	27.9
85.02887	19.1
85.06527	3.8
87.04426	2.8
91.03943	2.0
91.05461	38.2
92.64042	1.7
93.07024	48.5
95.04948	15.7
95.08591	20.4
97.02871	8.3
97.06511	6.6
97.10145	13.1
99.04423	7.0
105.07018	29.2
107.04932	16.3
107.08578	29.6
109.06512	12.8
109.10134	55.0
111.04436	2.9
111.08057	8.8
117.07015	15.5
119.08559	24.0
121.06475	3.5
121.10120	12.9
123.08032	10.8
123.65793	1.9
125.09603	13.2
129.05455	3.7
129.06946	2.6
131.08546	8.0
133.10089	9.3
135.08009	3.9
135.11673	14.6
137.09612	4.3
145.10098	25.0
147.08089	3.3
147.11790	2.1
149.09599	3.4
153.12694	2.7
163.11142	28.4
173.09583	3.4
173.11710	15.2
181.12241	2.5
185.98489	1.9
199.13290	2.1
209.11681	7.7
227.12732	8.6
229.14323	36.7
242.88722	1.7
243.34425	1.8
267.15836	3.5
275.20120	2.6
283.15329	65.8
301.16373	10.9
349.23279	2.5
399.23557	9.6
425.25110	6.3
437.25330	32.3
503.34210	3.3
509.26877	7.2
527.28766	2.0
546.57941	2.0
607.34607	24.9
733.47302	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	802.5663
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03425	28.2
57.07062	56.6
63.38142	4.0
64.20227	4.3
67.05491	66.1
69.03418	7.2
69.07051	37.6
71.07912	3.8
71.08614	39.6
73.95214	4.7
79.05081	6.3
79.05468	47.4
81.03399	20.7
81.07037	100.0
83.04960	6.6
83.08603	22.8
85.06521	5.2
85.10162	11.3
87.84198	4.3
91.05455	44.3
93.07029	42.1
95.04950	5.6
95.08585	53.8
97.02878	5.3
97.06490	6.6
97.10168	6.2
105.07010	25.7
107.08589	28.7
109.10139	23.6
117.06998	11.3
119.08572	29.7
121.10138	9.1
123.11671	5.3
124.99978	4.4
131.08543	23.3
133.10120	19.2
135.11688	18.1
143.08656	4.5
145.09978	6.7
147.11621	5.2
149.09592	6.3
149.13280	6.6
159.11652	10.3
160.22003	4.9
160.29897	4.5
161.45413	4.7
163.11192	8.1
255.15851	8.4
257.61151	4.7
269.17410	18.8
275.20044	20.8
313.27295	81.3
349.23764	18.5
435.49084	5.3
493.38766	23.0
507.40250	79.4
587.46710	28.1
605.47528	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	802.442
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03431	33.4
59.04985	40.9
61.02897	4.6
61.37428	3.8
65.03946	3.5
67.05492	100.0
68.65014	4.1
69.03392	16.7
69.07047	8.1
71.04971	9.9
73.02877	3.9
79.05473	54.8
81.03397	64.0
81.07031	44.8
83.04960	17.5
83.08589	21.3
85.02888	17.2
85.06532	6.6
87.04463	34.2
91.05460	34.4
93.07027	33.9
95.04932	27.4
95.08572	16.2
97.02867	20.1
97.06488	17.6
97.10139	40.7
98.03655	7.9
99.04440	20.8
105.07005	18.0
107.04916	15.8
107.08578	35.2
107.17516	3.9
107.88654	3.9
109.02850	18.7
109.06466	7.1
109.10133	68.9
110.07301	6.0
111.04430	6.9
111.08094	6.9
117.07003	9.9
119.08536	7.1
121.06456	3.9
121.10126	6.5
123.04411	4.6
123.08019	4.5
125.09596	24.8
127.03863	5.0
133.10083	5.6
135.11676	8.0
137.09593	6.2
143.08563	5.2
145.10123	7.3
147.11610	5.7
153.09059	4.5
163.11127	7.3
173.09669	4.6
173.11707	22.4
189.11284	5.2
193.12271	4.5
209.11763	4.3
224.14095	5.4
227.12805	9.4
229.14284	36.5
267.15805	4.5
283.15454	7.3
383.23923	7.1
541.30096	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	802.5666
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03430	11.9
57.07068	42.3
65.03944	1.3
67.05493	38.2
69.03423	1.9
69.07050	23.2
71.04976	2.7
71.08608	27.2
72.88690	1.2
74.41302	1.1
79.05464	28.2
81.03385	5.6
81.07039	40.7
83.04949	12.4
83.08601	31.3
85.02895	2.9
85.06523	1.4
85.10159	11.5
91.05454	22.4
93.07018	27.0
95.04947	71.7
95.08585	36.0
97.06508	5.6
97.10148	14.1
99.04432	7.0
105.07005	26.5
107.04954	12.2
107.08585	30.3
109.06496	6.3
109.10137	17.8
111.04428	9.8
111.08070	5.0
113.68632	1.4
117.06995	10.3
119.08569	21.3
121.06474	5.8
121.10096	15.7
123.08070	5.4
123.11720	3.2
125.09592	6.6
129.06952	1.4
130.07755	1.9
131.08536	12.7
133.10120	14.3
135.08005	3.0
135.11678	6.9
139.11218	1.8
141.07039	1.8
143.08556	1.9
145.10136	18.8
147.08066	2.3
147.11641	5.4
149.09613	26.9
149.13159	2.3
150.46342	1.3
151.11101	1.7
157.10056	2.3
159.11658	9.7
161.09534	1.9
161.13170	2.3
163.11143	31.1
165.12698	2.1
167.04799	1.3
169.10010	1.8
173.13194	2.1
177.12679	2.5
184.07381	2.7
187.11050	2.8
189.11153	2.5
205.12221	5.9
223.13229	22.7
225.53534	1.6
239.17863	1.4
257.19012	7.9
275.20038	37.5
293.21088	25.8
313.27313	75.1
349.23706	10.8
367.24728	44.8
453.78934	1.3
587.46631	20.6
605.47668	100.0
606.48199	2.6
623.48419	1.7
624.50238	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	800.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	17.4
57.07071	37.8
67.05483	30.1
68.76594	3.6
69.03410	10.8
69.07050	35.4
71.08604	29.2
74.72625	5.0
79.05476	24.1
81.07034	27.2
83.08603	25.5
85.10170	6.2
86.09712	6.3
91.05447	15.5
92.08898	16.1
93.07037	21.2
94.25729	4.5
95.04974	5.5
95.08569	19.4
97.02882	20.6
97.10130	8.9
105.07011	17.6
107.04927	4.8
107.08593	8.7
109.10144	21.8
125.09624	7.2
129.94191	4.4
131.08536	7.3
145.10095	5.9
167.91478	4.4
184.07315	8.8
212.04442	4.4
223.13261	11.0
226.82127	4.9
249.14771	7.7
273.18344	7.6
291.19467	98.0
313.27243	54.4
365.23166	51.5
486.16675	5.9
523.39691	5.4
600.95068	4.7
603.46124	100.0
722.00806	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	800.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	26.4
59.04980	3.8
64.06210	2.7
65.03926	3.8
67.05491	79.3
69.03416	24.8
69.07056	7.9
71.04968	21.2
75.04467	7.2
76.55941	3.3
77.92147	2.8
79.05474	60.4
80.73673	3.6
81.02930	4.9
81.03400	100.0
81.07044	53.0
83.04977	27.5
83.08607	35.4
85.02898	25.5
85.06524	4.0
85.73096	3.1
88.94203	3.3
91.05460	61.6
92.09303	4.7
93.07024	39.1
95.04948	39.5
95.08583	23.3
97.02869	21.5
97.06521	12.8
97.10147	26.8
98.03658	3.5
98.93743	2.9
99.04431	5.1
100.57961	2.7
101.05988	18.8
105.07022	39.9
107.04939	33.5
107.08581	22.4
109.02876	7.8
109.06545	12.3
109.10159	35.5
111.04421	7.2
111.08068	7.4
117.07023	24.2
119.04948	3.0
119.08576	30.5
121.02876	3.6
121.06476	17.7
121.10146	7.7
123.04388	7.6
123.08134	10.4
125.09596	17.8
127.03857	8.1
129.05440	4.9
129.07007	17.5
131.08574	16.8
133.10095	13.1
135.08072	3.3
135.11627	4.0
137.05945	4.1
138.06279	3.7
145.10141	12.3
147.04451	3.7
147.11661	16.2
149.09676	10.5
153.09131	6.1
155.08519	5.0
157.10083	15.5
163.11159	14.2
173.04439	8.0
175.11131	12.2
193.12157	23.2
199.05894	3.4
209.11794	12.8
211.13187	27.9
227.12714	15.8
229.14381	5.1
267.15845	19.6
285.16925	15.0
335.73068	4.3
439.26733	37.4
475.26651	7.1
493.28006	13.1
541.14832	5.1
557.62140	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	800.5279
Annotation	Unknow
Peak:m/z	Relative Intensity
57.82832	1.3
60.99838	1.4
61.94357	1.3
62.40654	1.2
62.58270	1.6
67.05482	2.7
68.35564	1.3
77.67609	1.3
79.05474	2.5
84.08138	20.2
86.09692	100.0
91.05463	2.6
95.04944	3.5
109.06456	1.6
112.11221	2.8
119.08497	2.3
120.08090	38.4
129.95906	1.7
138.09125	3.5
138.34248	1.7
152.14339	2.7
154.15846	11.7
157.13361	11.8
160.39940	1.5
175.08595	2.3
185.12839	9.8
188.14262	3.4
189.06505	1.7
199.17998	16.0
227.17534	9.1
231.14835	2.6
233.16515	5.5
253.18925	2.6
259.14359	2.2
267.24246	2.6
295.23718	2.2
298.21176	3.2
340.25626	2.3
376.37579	1.6
378.00046	1.8
411.29663	1.9
503.31418	2.0
514.97382	1.7
524.38165	2.8
669.43433	2.6
671.44470	2.5
748.93445	1.9
782.51117	8.7
800.52246	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	800.5509
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	14.6
57.07059	51.5
66.84960	9.9
67.05480	57.7
69.07036	19.5
71.08604	21.9
79.05462	49.5
81.07036	57.1
83.08591	15.0
84.79919	9.0
85.10172	15.8
85.26462	9.0
86.09686	46.2
91.05450	83.5
92.08932	42.7
93.07029	61.3
95.08582	43.3
101.75083	9.3
102.87293	11.5
105.06989	62.5
107.08578	19.1
109.10101	12.5
111.11742	9.1
117.07020	18.0
119.08538	23.2
121.10085	14.1
124.99969	17.1
131.08531	17.9
133.10126	42.6
144.88760	10.0
147.11673	24.1
150.48944	10.0
157.10069	11.6
159.11691	11.3
184.07274	100.0
185.13205	13.4
226.27570	10.4
241.19199	11.2
253.67004	12.0
259.20377	70.5
313.27274	79.9
333.24088	24.0
334.48535	9.7
497.16684	12.9
571.46313	16.7
589.29028	11.7
589.47711	59.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
56.13120	0.9
57.03437	2.5
61.02911	6.9
61.33256	0.9
67.05493	6.5
69.03423	4.3
69.07068	2.1
71.04981	1.1
73.02901	4.5
76.78205	1.1
79.05473	8.1
81.03415	1.9
81.07043	6.7
83.04975	1.2
85.02910	5.4
91.03937	4.5
91.05470	6.8
92.09367	1.8
93.07025	8.1
94.67514	1.1
95.04945	2.2
95.08586	4.1
97.02892	4.7
101.02390	1.2
105.07024	6.1
107.08587	1.1
109.06583	1.2
111.07983	1.2
119.08578	5.6
121.10133	2.5
127.03915	1.5
129.07002	1.1
131.08557	1.3
133.10132	2.4
135.11693	1.2
139.03137	1.3
147.08080	1.1
149.09555	1.5
157.10071	1.2
159.11633	1.1
171.11655	1.3
184.07359	5.0
214.45795	1.2
243.08498	5.4
283.15283	5.5
501.22882	11.3
535.28778	8.3
794.42615	1.7
795.44861	100.0
796.45166	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.4291
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03419	4.2
61.02916	6.6
61.78477	0.9
67.05493	6.4
69.03424	5.1
69.07069	2.0
71.84662	1.0
73.02914	2.3
79.05482	4.5
81.03410	4.2
81.07043	5.8
85.02901	6.4
86.09711	4.4
91.03951	3.9
91.05489	4.9
95.04950	1.1
95.08617	1.2
97.02910	6.3
105.06997	2.4
107.08620	1.8
109.10155	2.0
113.95796	1.2
119.08596	2.0
121.10093	1.3
124.99997	2.6
131.04904	1.0
133.11191	1.0
138.56230	0.9
184.07332	15.3
185.07698	1.5
187.12097	1.1
193.12277	1.2
243.08392	1.7
350.71698	1.0
351.21448	2.2
469.20459	9.1
569.28735	8.4
680.86090	1.4
797.42725	100.0
798.42743	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	797.5161
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	2.4
61.02915	6.3
67.05493	6.4
69.03410	4.1
69.07053	0.9
73.02898	5.0
73.03254	0.6
76.56107	0.3
79.05478	5.2
81.03418	0.8
81.07041	6.2
85.02888	6.4
91.03949	4.8
91.05466	2.2
93.07023	5.5
95.08575	4.5
97.02868	4.7
99.04462	0.7
101.02379	2.0
103.03917	0.3
104.84720	0.3
105.07026	1.9
107.08585	2.3
109.02889	0.6
109.10168	2.1
115.04005	0.4
118.86656	0.3
119.08595	0.6
121.10152	1.6
127.03911	2.1
131.08533	0.5
133.10037	0.4
135.11758	1.5
145.10091	0.4
149.13304	0.5
159.11671	0.6
173.13156	0.5
185.04271	0.6
243.08434	2.7
335.25824	0.9
453.62460	0.4
519.29175	11.9
797.51587	100.0
798.51746	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	798.4115
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	13.7
59.04990	2.1
61.02911	10.9
65.56326	1.3
67.05497	69.8
69.03419	6.4
69.07043	2.8
71.04984	2.8
73.02898	2.6
79.05476	11.3
81.03404	38.6
81.07045	21.6
83.04964	10.8
83.08607	21.7
85.02889	27.7
85.06517	2.6
91.03933	6.1
91.05470	20.6
93.07027	13.1
95.04942	14.8
95.08591	10.0
97.02865	11.5
97.10142	2.9
105.07033	10.4
107.04914	2.7
107.08574	5.7
109.06525	2.1
109.10139	59.6
111.04417	2.2
111.08044	12.0
113.06038	1.6
119.08569	15.3
121.06505	1.8
121.10121	6.0
127.03935	2.3
129.06993	6.6
131.08525	10.3
133.10101	3.1
137.09631	1.8
138.25679	1.3
142.07831	1.7
145.10138	2.3
146.00827	1.3
147.08044	2.3
147.11699	10.4
147.58743	1.5
149.09653	2.9
157.10114	8.5
165.12685	1.5
173.11687	15.6
175.11185	10.4
179.03473	1.5
184.07401	3.1
193.12233	28.0
211.13242	30.0
229.14314	34.8
267.15775	12.7
285.16977	17.4
327.18762	1.4
356.44562	1.7
403.24741	1.8
421.25763	17.4
439.26843	100.0
449.84457	1.8
554.21295	1.5
583.31207	1.7
682.58264	1.6
727.17987	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	798.5635
Annotation	Unknow
Peak:m/z	Relative Intensity
56.68220	1.4
60.08164	8.4
64.33298	1.2
69.51666	1.1
70.94830	1.1
71.07341	4.8
86.09690	44.4
98.98444	2.0
102.88340	1.1
104.10735	1.7
124.99976	29.0
127.83556	1.1
145.67459	1.2
182.87004	1.3
184.07298	100.0
198.13765	1.1
200.04001	1.2
408.83014	1.3
488.86789	1.4
617.77087	1.4
780.55634	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	795.4149
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05827	0.9
57.03429	15.7
58.03754	1.0
58.06594	1.4
60.08153	7.2
61.02917	10.4
61.32439	0.9
67.05492	35.8
68.05830	1.5
69.03408	4.5
69.07046	10.4
71.01350	1.6
71.04976	4.1
71.07368	2.1
73.02891	1.8
79.05470	32.0
80.05808	2.7
81.03385	9.6
81.07035	20.1
82.07389	1.3
83.04963	10.3
83.08585	4.5
85.02884	11.3
85.06543	2.0
86.09689	36.2
86.10188	2.1
87.10032	1.6
91.03948	5.8
91.05456	15.0
93.07020	40.5
93.07568	2.1
94.07355	6.1
95.04941	6.8
95.08578	4.3
97.02856	4.2
97.06499	10.5
97.10156	9.5
98.06834	1.2
98.98456	2.5
99.04420	1.3
99.08085	1.2
104.10754	2.3
105.07027	6.6
107.04932	2.1
107.08574	25.8
108.08939	2.0
109.10153	5.6
111.08071	2.2
116.42417	1.1
117.06998	2.7
119.08578	7.4
121.06479	1.9
121.10133	5.0
124.99970	27.3
125.09598	1.6
127.03918	1.5
133.10126	2.2
135.11662	36.5
135.88248	1.4
136.12036	6.5
137.09598	1.5
145.10085	7.4
146.10515	1.4
147.11723	2.1
163.11212	7.7
164.59564	1.1
181.12251	6.1
184.07303	100.0
185.07669	9.8
185.84299	1.2
205.95917	1.0
213.47768	1.1
222.09016	1.7
255.15825	26.3
255.18098	1.5
256.16241	8.8
349.19830	2.0
435.27335	48.7
436.27615	43.4
469.20496	4.8
529.36475	1.2
545.18561	1.4
567.28058	2.0
794.44958	1.6
795.41290	61.2
796.41394	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	795.4155
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	2.9
57.07058	1.3
61.02917	4.8
67.05495	6.4
69.03426	3.7
69.07066	1.7
70.06578	1.9
73.02896	5.8
79.05471	6.4
79.79415	0.8
81.03407	3.2
81.07040	4.7
83.08603	0.9
85.02896	4.7
86.09702	4.1
86.28346	0.7
88.07645	1.3
91.03954	4.7
91.05474	5.0
93.07038	4.7
95.04964	1.7
97.02885	4.8
97.06528	0.9
99.56730	0.8
102.09187	1.1
105.07028	3.6
107.04949	1.9
107.08588	3.1
108.71738	0.7
109.02792	1.0
109.06532	1.0
109.10230	0.9
117.05452	0.9
117.06978	1.0
119.08597	1.6
120.72274	0.7
121.06451	0.7
121.10114	1.1
125.00008	1.3
127.03878	2.8
129.05493	2.8
133.31480	0.8
135.11656	1.0
145.10173	0.9
149.01224	1.4
149.02307	8.1
150.02698	1.4
184.07281	8.0
185.04251	4.1
185.07741	1.0
193.05017	3.3
200.20137	4.6
201.03705	0.9
201.20482	1.6
243.08409	3.3
251.12433	1.0
267.09082	1.0
285.10229	1.4
301.08862	12.3
315.10675	3.0
333.20441	3.9
349.16840	3.2
353.28055	0.8
357.15289	0.8
373.11044	4.7
373.23306	1.8
383.16861	0.9
385.18158	7.7
429.17273	1.7
431.23929	1.9
439.19290	5.5
453.20901	1.4
469.20471	5.7
477.24866	1.0
481.20392	1.2
515.33447	1.1
541.22437	6.1
551.28186	4.5
567.26221	1.0
623.30542	3.4
625.31836	1.1
637.32721	0.9
667.33051	7.1
693.38220	1.1
709.34155	3.9
749.40979	1.0
777.40588	4.4
795.40710	100.0
796.40485	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	795.4135
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96569	1.3
57.03423	2.1
61.02911	6.4
67.05486	7.0
69.03419	5.1
69.07044	2.3
71.04966	1.7
71.50977	1.1
73.02899	5.0
73.23074	1.2
79.05470	5.9
81.03394	5.0
81.07040	2.8
83.04993	1.2
83.08623	1.5
85.02901	5.5
91.03934	2.6
91.05450	3.8
93.07040	5.3
95.08599	1.3
97.02869	5.9
97.06504	1.1
97.10124	1.2
99.04480	1.5
101.02367	2.3
105.07007	4.9
107.08591	2.2
109.02851	1.3
109.10153	1.3
121.10134	1.9
127.03847	1.5
129.05516	2.6
131.08534	1.8
133.10164	1.7
135.11725	1.4
185.04176	5.5
201.03619	1.2
202.21257	1.3
243.08403	5.8
275.19916	1.9
287.52512	1.4
287.55914	1.4
301.08884	18.1
315.10666	4.9
333.20242	11.8
355.13678	1.3
371.16907	1.5
373.10980	5.3
385.18271	10.2
407.15982	1.2
429.17139	1.5
431.24234	5.6
439.19150	2.2
469.20236	1.9
477.24588	2.5
499.21576	6.9
515.32990	1.5
541.21930	3.7
551.28278	14.3
571.52942	1.6
623.30414	7.4
651.33447	1.5
693.37903	5.9
705.37946	2.1
709.33539	1.5
777.40070	2.0
795.41046	100.0
796.41370	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	795.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03418	3.6
57.03669	0.5
61.02362	0.5
61.02920	4.4
67.05489	3.5
69.03409	3.1
69.07054	2.7
71.04972	1.4
73.02908	4.0
79.05460	4.3
81.03411	1.4
81.07036	4.1
83.04977	1.3
83.08645	2.5
85.02884	6.9
86.09715	0.7
91.03932	4.9
91.05472	2.7
92.09203	0.7
93.07021	3.5
95.04951	3.3
95.08596	2.5
97.02871	5.4
99.04413	1.0
101.02368	1.2
105.07005	3.4
107.04937	7.7
107.08587	3.4
109.02891	0.7
109.06474	1.2
109.10130	0.8
111.04443	0.8
111.08136	0.8
117.07027	1.1
119.08585	1.2
121.06440	0.6
121.10129	2.9
125.00005	0.7
127.03908	2.6
129.05479	2.5
131.04913	3.1
131.08514	1.1
133.10184	1.1
135.11687	0.8
137.05997	3.5
139.89119	0.6
145.10060	1.2
149.09639	1.4
151.07585	0.6
153.37587	0.6
157.10065	0.7
161.05873	0.8
161.09502	0.6
163.11128	1.0
166.72105	0.7
181.04677	1.3
184.07416	3.3
185.04128	5.3
201.03746	1.2
243.08368	4.8
275.20078	0.7
281.04395	1.3
282.04837	0.6
301.08868	16.3
310.04648	1.0
311.05402	11.5
315.10425	4.9
317.08334	0.7
327.10635	0.8
333.20200	5.5
341.12115	1.0
343.13715	0.6
353.29410	0.7
355.13474	1.0
357.15103	1.3
371.16901	2.6
373.07040	0.8
373.10892	6.2
373.23639	1.2
383.16583	2.9
385.18143	9.9
407.05566	0.7
408.62161	0.7
425.17465	2.2
429.17172	1.1
431.23941	2.3
443.18750	2.8
449.25153	0.7
469.20724	0.9
477.24588	1.1
481.20209	1.4
485.19855	6.3
499.21417	1.3
515.33295	1.4
541.22449	5.0
551.28253	13.0
565.14697	14.8
566.15204	2.4
569.29614	0.9
583.31171	1.1
623.30505	6.0
625.32062	1.3
637.31921	1.5
651.33624	1.3
665.34888	0.8
693.38068	3.8
694.39014	0.9
735.38873	0.7
749.40350	1.2
795.40961	100.0
796.40784	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	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03433	3.6
61.02918	6.2
67.05495	4.4
69.03054	0.4
69.03413	4.6
69.07058	2.4
71.01344	0.4
71.04991	0.6
72.21411	0.3
73.02898	4.9
79.05484	4.5
81.03399	5.5
81.07039	6.3
83.04968	2.0
83.08609	2.3
85.02892	8.4
86.09687	3.3
86.93986	0.3
91.03935	3.1
91.05459	4.8
93.07018	4.1
95.04950	3.3
95.08594	2.4
97.02881	6.2
97.06504	0.3
97.10156	2.0
99.04436	1.7
101.02375	1.9
104.52748	0.3
105.07015	3.4
107.04935	1.3
107.08587	1.8
109.02885	1.2
109.06520	1.5
109.10155	1.2
111.04452	1.6
111.08084	1.2
117.07005	0.7
119.08566	3.3
121.06525	0.4
121.10162	1.3
123.08109	1.5
124.99984	2.0
125.09620	1.5
127.03870	0.7
128.06253	0.4
129.05467	0.3
129.07007	0.6
131.08580	1.7
133.10121	2.0
135.11650	1.2
137.09578	0.4
145.10123	0.5
147.08055	0.5
147.11703	2.1
149.09656	1.4
157.10146	1.7
161.09604	0.3
163.11223	1.3
171.11772	0.3
175.11171	1.4
184.07329	6.3
185.04184	0.5
185.07716	0.4
189.11192	0.4
193.12270	2.5
203.05243	0.6
211.13153	0.5
243.08369	4.8
251.12573	1.6
257.15280	0.4
268.09637	0.3
269.12350	0.6
285.16888	0.5
285.80972	0.3
291.19498	0.4
301.08902	1.1
307.15198	0.5
315.10675	0.5
330.75284	0.3
340.40469	0.3
349.19794	4.3
383.16824	0.5
385.18298	0.3
405.22409	0.7
464.62173	0.3
469.20309	11.9
499.21844	0.5
541.22516	1.4
567.27728	6.9
568.28113	0.4
795.41168	100.0
796.41510	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	795.4133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.96730	0.8
57.03418	1.7
57.07059	1.5
59.18330	0.8
61.02913	8.7
66.25607	0.8
67.05488	5.3
69.03414	3.7
69.07072	1.2
71.04987	1.2
71.07323	0.9
73.02901	5.1
75.57588	0.9
79.05468	2.5
81.03397	1.1
81.07034	5.5
83.05013	1.0
84.58988	0.8
84.78061	0.8
85.02908	5.7
91.03954	4.5
91.05472	4.5
93.07039	4.0
95.04963	1.8
95.08610	1.8
97.02877	5.3
97.06507	1.3
101.02375	1.4
105.06995	2.3
107.04955	1.2
107.08564	4.3
109.06532	1.2
109.10163	1.2
119.08554	2.3
121.06451	1.2
121.10221	0.9
127.03980	1.6
128.22682	0.9
129.05469	2.0
132.77040	1.0
133.10127	1.7
135.08058	1.1
145.10146	1.3
149.02368	1.6
151.07550	1.5
184.07338	2.4
185.04131	7.0
201.03629	1.3
243.08389	4.9
301.08868	18.1
315.10431	4.0
316.28455	1.7
327.10458	1.2
333.20297	10.4
357.15073	2.2
371.16699	2.1
373.10916	9.2
373.23489	1.9
383.16705	1.9
385.18079	8.6
423.19598	1.5
429.17090	1.5
431.24045	5.1
469.20377	5.2
477.24609	2.4
483.22073	7.4
496.96545	1.1
499.20328	1.2
551.28076	11.1
610.29272	1.5
623.30914	6.9
637.32074	1.7
693.37830	2.4
694.38721	1.4
795.41052	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	795.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45568	1.7
61.78248	1.4
61.90723	1.6
62.25864	1.6
63.45865	1.5
67.05488	1.6
69.03422	2.5
69.07035	1.7
85.02905	2.9
89.71072	1.8
91.05449	2.7
93.07005	2.1
95.04974	2.3
100.39214	1.9
103.05418	2.4
103.71900	2.2
107.66739	1.8
108.08141	2.5
112.03921	2.7
116.09200	2.1
121.06498	4.3
122.05985	9.5
124.07565	3.4
125.05906	2.0
131.04936	3.1
136.07585	19.3
137.06044	1.8
140.07037	27.6
146.05995	11.5
148.07570	3.3
149.05949	8.7
152.06982	3.2
153.01874	2.5
161.05936	2.6
164.07056	13.3
166.08618	2.6
167.06976	8.1
172.03871	10.6
174.05498	2.7
176.07037	12.2
177.05437	3.8
181.04903	16.2
190.04842	3.5
191.07040	3.9
204.06508	10.5
206.08215	2.3
209.08069	10.9
210.08281	2.5
218.36041	2.2
225.10214	2.6
235.12303	4.2
236.13153	2.2
237.10202	10.2
238.10971	9.9
239.11844	14.0
249.10112	4.2
250.10960	4.1
251.11758	13.3
263.09338	2.1
263.11774	16.8
264.09000	2.1
265.09744	8.2
265.13297	28.1
267.11047	2.9
271.14319	2.6
277.09692	9.9
278.10446	3.4
279.11227	100.0
280.11911	4.4
281.12677	2.8
283.10764	3.1
283.14020	2.0
291.11145	3.6
293.12805	9.2
295.10791	14.3
296.11658	3.1
297.12268	58.8
298.12985	7.5
309.12292	39.3
310.12839	12.5
311.13718	11.5
319.10736	9.8
321.12207	11.2
325.11655	7.2
337.11774	72.4
338.12335	17.8
339.13321	55.3
345.14578	2.6
369.14322	15.9
371.15936	32.8
460.18597	31.3
475.16727	4.0
478.19556	11.3
492.20877	8.9
524.84601	2.0
601.26257	28.5
633.28723	3.1
640.24725	24.8
641.25183	2.8
672.27216	11.8
763.31372	21.3
795.33533	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	794.5321
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.6
57.03420	0.7
57.07058	1.1
58.06604	0.5
58.76751	0.5
60.08149	7.9
66.27297	0.5
67.05485	3.7
69.07059	1.4
71.07357	3.6
71.08586	0.9
79.05463	3.4
81.03370	0.7
81.07033	6.4
83.08617	0.9
86.09689	51.4
87.04423	2.3
91.05457	2.3
92.09129	3.8
93.07021	4.7
95.04938	0.9
95.08601	4.6
97.06544	0.6
98.98438	4.9
104.10709	3.5
105.06973	5.0
107.08571	2.9
109.10136	1.0
109.52569	0.6
119.08565	3.3
121.10122	1.3
124.99067	1.2
124.99986	36.1
131.08540	1.0
133.10091	0.9
143.01076	0.6
145.10107	1.0
147.11649	1.1
159.11752	1.4
184.07306	100.0
255.68852	0.6
259.37677	0.6
267.15967	0.8
271.50220	0.6
276.81293	0.6
341.30405	2.6
408.18262	0.6
505.38800	3.0
507.39426	0.7
513.04956	0.7
533.42035	1.1
587.46027	0.8
794.52740	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	795.3448
Annotation	Unknow
Peak:m/z	Relative Intensity
60.45568	1.7
61.78248	1.4
61.90723	1.6
62.25864	1.6
63.45865	1.5
67.05488	1.6
69.03422	2.5
69.07035	1.7
85.02905	2.9
89.71072	1.8
91.05449	2.7
93.07005	2.1
95.04974	2.3
100.39214	1.9
103.05418	2.4
103.71900	2.2
107.66739	1.8
108.08141	2.5
112.03921	2.7
116.09200	2.1
121.06498	4.3
122.05985	9.5
124.07565	3.4
125.05906	2.0
131.04936	3.1
136.07585	19.3
137.06044	1.8
140.07037	27.6
146.05995	11.5
148.07570	3.3
149.05949	8.7
152.06982	3.2
153.01874	2.5
161.05936	2.6
164.07056	13.3
166.08618	2.6
167.06976	8.1
172.03871	10.6
174.05498	2.7
176.07037	12.2
177.05437	3.8
181.04903	16.2
190.04842	3.5
191.07040	3.9
204.06508	10.5
206.08215	2.3
209.08069	10.9
210.08281	2.5
218.36041	2.2
225.10214	2.6
235.12303	4.2
236.13153	2.2
237.10202	10.2
238.10971	9.9
239.11844	14.0
249.10112	4.2
250.10960	4.1
251.11758	13.3
263.09338	2.1
263.11774	16.8
264.09000	2.1
265.09744	8.2
265.13297	28.1
267.11047	2.9
271.14319	2.6
277.09692	9.9
278.10446	3.4
279.11227	100.0
280.11911	4.4
281.12677	2.8
283.10764	3.1
283.14020	2.0
291.11145	3.6
293.12805	9.2
295.10791	14.3
296.11658	3.1
297.12268	58.8
298.12985	7.5
309.12292	39.3
310.12839	12.5
311.13718	11.5
319.10736	9.8
321.12207	11.2
325.11655	7.2
337.11774	72.4
338.12335	17.8
339.13321	55.3
345.14578	2.6
369.14322	15.9
371.15936	32.8
460.18597	31.3
475.16727	4.0
478.19556	11.3
492.20877	8.9
524.84601	2.0
601.26257	28.5
633.28723	3.1
640.24725	24.8
641.25183	2.8
672.27216	11.8
763.31372	21.3
795.33533	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	794.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05032	0.5
57.07056	0.9
60.07907	0.5
60.08156	9.3
65.59856	0.4
67.05480	3.4
69.02193	0.4
69.07043	2.3
70.06562	0.5
71.07343	4.1
71.08608	0.8
79.05460	2.0
81.03409	0.5
81.07023	3.7
82.24356	0.5
83.08587	1.0
86.09688	46.7
91.05472	2.2
93.07017	2.9
95.04903	0.6
95.08575	3.4
98.98447	5.1
104.10701	3.2
105.07008	2.8
107.08569	2.0
109.10094	0.5
117.06968	0.5
119.08540	1.2
121.10137	0.7
124.99976	30.6
133.10089	0.7
145.10066	1.1
147.11554	0.5
157.10030	0.5
159.11572	0.6
184.07300	100.0
223.97160	0.5
239.06560	0.5
296.12701	0.5
320.52621	0.6
485.13657	0.6
587.45984	0.8
605.47369	0.7
794.52991	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	793.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
56.46497	0.5
57.03425	4.5
57.78126	0.5
59.04986	0.9
61.02911	6.2
67.05490	8.7
67.05745	0.5
69.03415	4.7
69.07059	4.6
71.04983	2.7
71.53358	0.7
73.02900	5.1
79.05486	7.4
81.03394	7.1
81.07041	11.5
83.04973	3.3
83.08630	2.7
84.22962	0.6
85.02890	8.5
86.09715	0.8
88.04526	0.6
91.03952	4.2
91.05461	10.3
93.07012	9.5
94.07356	0.8
95.04954	4.5
95.08586	6.4
97.02868	6.0
97.06542	1.5
99.04459	2.5
101.02394	2.7
105.07009	9.2
107.04944	1.0
107.08540	4.9
109.06508	1.3
109.10183	1.4
111.08078	0.8
114.69745	0.7
117.07032	1.6
119.08559	7.6
121.10155	2.5
123.08048	1.3
123.11707	0.9
125.09612	0.7
127.03897	1.0
129.07045	1.4
131.08594	2.9
133.10106	5.0
135.11725	0.8
143.07179	0.7
143.08578	1.2
145.10089	1.0
147.11719	1.4
148.12051	0.7
149.09589	1.4
157.10095	1.2
159.11665	1.6
162.35733	0.6
173.09604	0.6
175.11157	1.0
184.07413	0.8
185.04216	1.2
193.12300	1.5
235.28310	0.7
235.54727	0.6
243.08272	4.5
250.08295	0.6
252.47409	0.6
277.11017	0.6
283.15176	1.4
301.09048	2.8
307.15408	0.7
315.19397	1.6
347.22009	3.6
429.17636	0.9
451.20367	0.7
469.20535	8.6
481.20703	0.9
501.22772	7.1
533.27423	4.1
539.21527	0.8
565.29889	4.2
611.75311	0.7
793.43085	100.0
794.43304	2.8
806.88080	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	794.5275
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03417	6.5
57.07063	25.9
59.99437	3.6
60.08135	14.0
67.05482	21.4
67.26751	3.6
69.07057	15.1
71.08614	13.7
76.95846	3.0
77.16069	3.1
79.05479	6.9
81.03388	43.9
81.07016	25.0
83.08601	16.8
85.10167	5.9
86.09684	50.2
87.04436	3.9
91.05462	14.4
93.07008	16.4
95.04939	15.6
95.08573	21.2
97.10119	5.9
105.07018	13.7
107.08548	13.1
109.10145	7.0
119.08538	7.9
121.10108	5.6
124.99937	45.6
131.08511	5.6
145.10077	3.5
147.11604	7.0
157.10052	6.8
184.07292	100.0
186.43590	3.6
193.12238	3.5
232.42162	3.4
233.23938	4.0
267.15842	43.8
267.26480	4.5
341.30457	46.3
533.41980	31.7
659.52972	4.1
689.77667	3.9
794.52100	8.1
811.09210	3.9
828.99933	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	793.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03420	4.5
57.07045	1.6
61.02911	2.6
67.05480	14.0
68.85954	1.7
69.03405	3.1
69.07055	2.8
79.05476	13.0
81.07037	15.5
82.07388	2.2
85.02908	4.4
91.03934	2.1
91.05457	10.5
93.07022	8.9
95.04952	4.0
95.08582	4.3
97.02864	4.2
99.04446	2.6
101.02367	2.0
105.07031	10.3
107.08600	6.9
109.10139	2.7
119.08575	3.8
122.95616	1.7
124.99982	2.8
127.52500	1.8
133.10126	3.0
135.14214	1.9
145.10039	2.2
147.11691	3.4
159.11610	2.8
184.07329	11.1
185.04152	4.2
201.03969	2.0
217.86803	1.9
228.83041	1.8
240.32611	1.9
243.08443	4.2
276.25937	1.8
283.14883	1.8
301.09018	9.9
315.10428	2.3
331.18869	3.2
373.11353	2.2
385.18304	7.9
389.07068	2.2
406.12454	2.4
467.18723	2.0
539.20587	2.7
549.26617	3.6
707.32532	7.5
793.38770	100.0
794.39172	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	793.3973
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03422	6.7
57.07063	1.5
61.02913	6.1
67.05499	14.5
69.03416	6.5
69.07061	6.8
71.04994	3.7
73.02903	4.1
73.23467	0.9
75.12846	1.0
79.05476	14.2
80.05774	1.1
81.03412	8.4
81.07040	20.8
83.04977	3.8
83.08613	2.4
85.02903	7.9
85.06528	1.5
86.09694	1.2
91.03947	4.8
91.05451	16.0
93.07021	14.7
94.07370	1.4
95.04955	8.7
95.08562	11.2
97.02887	6.3
97.06500	2.3
97.12140	0.9
99.04462	1.4
101.02340	2.3
105.07013	18.0
106.07350	1.0
107.04943	2.2
107.08578	11.8
108.06144	0.9
108.08953	1.6
109.02855	1.4
109.06514	6.6
109.10129	7.9
111.08062	1.3
115.05547	1.2
117.05527	1.1
117.06995	7.2
119.08543	12.8
121.06495	1.5
121.10146	2.2
123.08070	1.9
124.46293	1.0
124.99988	1.8
125.09587	1.2
127.03926	1.1
127.11311	1.0
129.05476	1.6
129.07002	1.4
130.07826	1.1
131.08556	8.4
133.10139	9.5
134.10406	1.3
135.11665	3.7
142.07748	1.8
143.08563	1.8
145.10138	6.6
147.11714	4.2
149.09622	2.2
155.08618	1.1
157.10147	6.1
159.11646	2.4
163.11140	1.1
171.11711	1.8
174.13707	1.0
175.11186	1.1
184.07388	5.3
185.04205	4.3
193.12167	1.7
199.13284	1.1
211.14835	1.1
243.08418	6.1
261.11005	2.3
263.18225	0.9
300.96646	1.1
301.08957	15.2
313.17862	3.7
315.10437	4.0
315.19345	1.6
331.18790	7.1
341.12222	1.2
355.13971	1.3
357.15186	2.0
369.15213	1.9
371.21921	2.2
373.11221	4.9
385.18216	7.0
429.17297	5.6
429.22504	2.1
455.18817	4.1
469.20413	4.6
475.23117	1.8
479.18707	1.3
501.22925	11.7
530.23340	1.1
531.25391	1.7
533.27448	6.2
539.20886	6.6
549.26843	4.7
559.32678	1.3
621.27997	3.2
623.30530	1.8
691.36487	2.1
695.32507	1.3
775.38092	1.3
793.41412	100.0
794.42120	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	791.5252
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07061	2.5
61.02901	3.4
61.13710	2.5
64.54295	2.3
67.05511	4.7
67.31624	2.4
69.07092	2.4
73.02895	2.9
79.05495	4.9
81.07011	3.1
85.02895	3.9
91.05475	4.3
93.07028	5.6
95.08581	4.3
97.02852	5.4
98.66254	2.7
105.07016	4.7
116.39604	2.3
119.08569	6.1
133.10095	3.4
153.50369	2.7
184.07338	9.8
185.04198	3.2
188.26721	2.5
278.79007	2.9
285.01138	2.5
326.87387	2.7
396.58920	3.0
427.50061	2.8
475.26666	2.7
497.30618	5.4
521.34088	2.7
719.78192	3.0
734.88544	2.8
791.52393	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	792.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.7
55.05502	32.8
56.18908	0.7
57.03427	23.5
57.07064	1.7
59.04974	3.5
60.31201	0.7
61.02906	3.4
65.03907	1.9
67.05488	100.0
69.03400	6.0
69.07048	19.9
71.04977	8.9
71.49261	0.8
71.93111	0.7
73.02878	0.7
79.05470	50.3
79.20387	0.7
81.03395	70.8
81.07031	59.5
83.04958	21.3
83.08598	32.5
85.02886	32.2
85.03333	1.0
85.06510	5.5
91.05453	50.6
93.07017	37.2
95.04327	1.2
95.04939	32.0
95.08582	27.1
97.02853	3.7
97.06504	7.6
97.10130	13.4
99.04398	0.8
99.08079	1.5
105.07010	36.3
107.04929	12.0
107.08566	28.6
109.06504	9.7
109.10133	68.5
111.04442	1.8
111.08052	17.3
113.05955	3.3
115.05420	1.4
117.06961	6.6
119.04929	0.9
119.08552	33.6
121.06472	4.1
121.10113	19.6
123.08027	5.3
123.11680	3.0
125.09606	7.5
127.03874	1.3
129.06963	11.6
130.07875	0.8
131.08536	16.2
133.06442	3.2
133.10100	21.4
133.11049	1.5
135.08038	4.9
135.11662	4.1
137.09598	5.2
142.07765	1.9
145.10083	9.5
147.08014	3.4
147.11664	20.2
149.09584	11.5
149.13202	4.3
155.08533	1.0
155.10605	1.7
157.10091	16.3
159.11652	4.1
161.13194	1.1
163.11159	3.2
165.12758	3.2
169.10121	1.4
171.11632	1.5
173.11719	16.0
173.13196	2.8
175.11134	17.9
184.07338	0.9
189.11180	4.6
192.46623	0.9
193.12192	40.8
211.13252	40.0
211.15302	1.3
227.12589	5.6
229.14290	29.5
239.17889	1.5
247.20570	1.2
257.18915	3.5
267.15860	16.1
269.17368	7.5
275.19983	14.8
285.16910	28.8
293.20868	1.6
349.23593	11.6
367.24704	5.4
367.49176	0.8
409.24698	0.9
421.25677	14.1
439.26801	75.2
440.26862	1.4
461.28955	11.6
479.23517	1.4
479.29916	27.1
485.55341	0.8
501.32007	0.9
541.35107	13.4
559.36108	31.9
577.37067	10.9
583.30682	5.3
623.34076	1.5
626.76495	0.9
809.99377	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.558
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05025	0.9
56.36577	0.7
60.08158	9.7
67.05471	0.8
70.96008	0.8
71.07351	4.7
71.16692	0.8
77.73071	0.7
79.05464	1.4
80.51908	0.7
81.07011	1.5
86.09156	1.6
86.09689	48.7
98.98423	4.4
104.10704	4.6
123.41135	0.8
124.99975	34.0
151.19626	0.8
184.07300	100.0
185.07657	1.6
329.60809	0.8
345.60031	0.9
362.07895	0.9
396.12302	0.9
410.35117	0.9
425.79724	0.8
459.06155	0.8
470.39148	0.8
790.55829	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	791.4032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.5
55.05499	9.4
55.73598	1.9
56.52652	1.9
57.03423	11.7
57.79838	2.0
58.58765	1.8
59.33871	1.9
61.02901	13.8
64.20484	1.8
64.33049	1.8
67.05488	20.5
69.03402	5.4
69.07050	5.0
71.04997	2.2
72.83516	1.9
73.02887	3.9
78.79113	1.8
79.05456	14.4
81.03402	12.9
81.07028	18.5
82.32565	2.3
83.08607	3.0
85.02876	5.1
86.09698	4.6
86.33440	2.3
91.03925	5.0
91.05468	12.5
91.52911	2.1
93.07016	16.6
95.04945	10.0
95.08577	4.7
96.38650	2.2
97.02868	9.7
105.07036	8.7
107.04911	3.7
107.08579	11.2
109.06520	4.2
109.10133	5.0
117.06920	2.6
119.08534	4.6
121.06464	2.1
121.10124	8.6
129.05449	3.7
129.06999	3.7
131.08562	4.2
133.10115	5.1
147.11644	3.9
157.10167	3.9
163.11108	2.4
175.11150	4.2
184.07291	5.5
185.04182	4.6
206.06279	2.2
265.13928	3.9
283.15134	18.0
301.08932	19.4
309.16946	2.6
315.10385	3.1
323.17767	2.6
373.11081	4.8
381.18613	9.0
385.18295	13.4
399.19833	3.1
427.19183	10.5
443.18478	2.9
465.28299	3.3
469.19980	3.2
499.21445	5.5
501.23038	22.4
529.22388	24.7
573.25018	18.2
643.32605	3.7
791.40265	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.5581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.1
57.07064	0.5
60.08151	8.3
60.36260	0.4
61.84996	0.4
62.05553	0.5
67.05495	1.9
67.18601	0.5
69.07058	0.7
71.07358	4.9
79.05467	2.1
81.07032	2.9
86.09692	46.7
86.44323	0.5
91.05444	1.9
92.08989	2.3
93.07025	2.1
95.08575	0.6
97.10165	0.6
97.61533	0.5
98.98452	4.2
104.10712	3.1
105.07016	1.2
107.08580	1.0
119.08520	1.1
124.99063	1.1
124.99980	31.9
133.10104	0.9
133.60568	0.5
160.09358	0.5
184.07304	100.0
185.07590	0.9
262.25037	0.5
601.44415	1.0
649.49768	0.9
772.54523	8.4
790.55701	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	790.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.7
55.05507	55.3
57.03429	20.9
57.07061	2.4
59.04990	42.1
61.02907	2.8
65.03912	3.0
67.05495	100.0
69.03408	6.8
69.07050	19.8
71.04973	15.1
73.02888	1.7
76.98618	1.8
78.19934	1.8
79.05479	62.0
81.03403	6.3
81.07038	72.8
83.04967	9.3
83.08615	13.4
85.02891	2.9
85.06542	2.5
85.66550	1.6
86.09682	2.0
87.04453	46.3
91.05460	43.0
92.09319	3.8
93.07023	53.8
95.04943	13.8
95.08588	47.5
97.02899	2.9
97.06525	4.2
97.10165	21.3
99.04430	20.2
105.07016	33.9
107.08572	34.0
109.06474	7.1
109.10139	56.5
111.04429	3.2
117.06980	9.8
119.08548	27.2
121.06487	2.3
121.10146	21.0
123.08066	2.6
125.09626	11.2
129.06956	3.8
131.08559	16.9
133.10110	12.7
135.11687	15.0
137.09555	3.7
143.08521	2.7
145.10071	12.9
147.07993	1.9
147.11659	4.2
149.13248	2.3
157.10115	3.9
159.11665	7.5
161.13168	3.3
171.11697	2.1
173.11694	8.7
173.13145	2.4
175.14806	2.2
175.37160	1.8
181.09906	2.4
184.07402	4.3
185.13249	1.9
187.14778	2.1
199.13226	4.0
202.36784	1.7
229.14273	26.0
261.22086	4.1
267.15704	2.3
275.05725	3.1
294.76352	2.2
315.17902	4.1
335.25739	37.7
477.35690	18.8
489.35736	33.4
543.36981	2.4
593.39984	2.3
728.05853	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4938
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.5
55.05504	45.4
57.03431	15.9
57.07070	4.5
59.04987	31.7
60.80853	1.8
61.02919	2.7
63.36753	1.6
64.07961	1.6
64.27206	1.7
65.03922	4.0
67.05139	3.5
67.05492	100.0
69.03412	13.1
69.07053	25.5
71.04980	14.8
71.08586	2.5
79.05472	69.0
81.03396	6.6
81.07035	91.5
83.04966	9.9
83.08600	14.0
85.02895	3.9
85.06515	7.4
87.04450	33.9
91.05455	54.3
93.07020	81.9
95.04943	29.3
95.08575	52.1
97.06506	9.3
97.10144	11.0
99.04419	9.7
99.08128	2.2
105.04483	2.9
105.07010	70.6
107.04972	3.0
107.08570	55.1
109.06474	15.6
109.10142	52.1
111.04373	2.3
111.08067	8.3
117.06988	21.9
119.08567	43.0
119.49478	1.9
121.06459	6.8
121.10110	21.6
123.08036	4.1
123.11647	4.3
125.09603	11.0
127.07465	2.4
128.06187	3.7
129.06943	4.1
130.07784	2.5
131.08539	26.9
133.10097	25.2
135.08003	4.0
135.11655	9.9
137.09596	4.6
141.06956	3.0
142.07788	9.0
143.08524	9.6
144.09386	2.8
145.10097	32.1
147.07976	2.8
147.11665	15.4
149.09579	4.0
149.13329	3.4
155.08527	2.2
156.09293	3.8
157.10121	16.3
159.11610	18.2
161.13185	8.4
163.11090	3.6
169.10136	3.4
171.11668	9.0
173.11690	8.2
173.13239	10.9
183.11736	3.2
185.13249	2.4
187.11189	2.4
187.14824	2.3
194.12590	1.9
195.11491	2.2
197.13115	2.2
199.13144	2.4
199.14813	2.8
229.14259	19.0
232.30768	2.0
261.22046	3.9
270.32123	1.8
335.25671	24.2
394.81888	1.8
443.55243	2.1
477.35791	4.2
489.35663	31.0
491.36789	2.3
518.75159	2.1
531.40112	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	790.4936
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	7.9
55.05504	48.7
56.87602	1.2
57.03428	20.7
57.07062	2.8
57.21141	1.3
58.31804	1.1
61.02912	5.4
65.03925	2.4
67.05138	3.0
67.05489	69.0
67.10783	1.4
68.05822	1.7
69.03420	7.9
69.07053	24.3
71.04975	10.7
76.56065	1.2
79.05472	83.2
80.05314	1.2
81.03396	71.6
81.07034	75.4
82.03746	1.3
82.16640	1.3
83.04959	12.7
83.08607	31.8
85.02883	7.2
85.06528	7.0
86.09687	1.8
91.04880	3.0
91.05456	81.2
93.07021	80.9
93.24276	1.4
94.07405	1.4
95.04945	38.2
95.08578	47.0
97.02859	2.7
97.06517	9.0
97.10148	13.8
99.08053	2.5
103.05467	2.0
105.07010	76.1
107.04951	12.3
107.08572	42.6
109.06504	8.2
109.10151	18.4
111.04403	1.4
111.08054	7.7
111.24367	1.4
115.05424	2.0
117.06995	29.9
119.04909	2.1
119.08551	60.7
120.08889	2.2
121.06489	11.5
121.10107	32.3
123.04377	2.2
123.08047	6.2
123.11695	6.0
125.09600	15.9
128.06187	3.1
129.06985	23.1
130.07811	1.7
130.89224	1.5
131.08539	44.4
133.06500	5.4
133.10112	38.9
135.08060	6.5
135.11655	17.2
137.09567	2.9
140.49675	1.5
141.06956	7.3
142.07759	8.8
143.08554	18.4
145.06444	2.2
145.10080	34.0
147.08034	3.0
147.11650	23.4
149.09622	10.3
149.13246	6.4
151.11221	2.1
153.09090	1.6
154.07744	1.7
155.08517	8.3
157.10097	21.5
159.11668	22.9
161.09576	2.3
161.13234	8.9
163.11151	8.3
167.08487	2.4
169.10062	12.2
170.10841	2.4
171.11650	16.5
173.09555	2.1
173.13179	12.9
175.11154	6.9
175.14799	2.9
181.10068	7.6
183.11685	8.5
184.07344	7.1
185.09607	1.5
185.13239	12.5
187.11180	2.1
187.14839	5.4
189.11118	3.0
189.12669	2.3
193.12177	9.7
195.11694	6.6
197.13234	7.5
199.14841	6.2
203.14349	2.1
209.13271	6.2
211.14758	1.7
212.13548	1.7
227.12750	6.0
241.19667	1.7
257.18976	2.2
259.20572	11.6
267.15808	19.4
275.20047	2.6
285.16818	2.4
297.22122	1.6
299.23596	6.3
333.24097	7.1
349.23956	2.5
407.23611	1.8
421.25723	7.5
433.31036	11.4
435.27286	6.4
451.31979	6.1
469.32867	7.4
507.34290	5.9
517.35059	2.1
525.35626	48.5
526.35590	2.2
535.36230	1.6
543.36713	100.0
544.37109	2.6
557.38397	10.7
575.39777	19.3
593.38947	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.458
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	13.8
55.05507	44.5
57.03434	26.9
61.02913	4.4
64.52352	1.7
65.03905	2.7
67.05496	63.3
68.67085	2.1
69.03403	7.5
69.07053	22.6
70.75261	1.6
71.04990	7.2
73.02896	2.4
75.24603	1.9
79.05049	3.6
79.05477	69.0
81.03403	68.5
81.07046	100.0
82.20230	2.0
82.56472	1.8
83.04970	29.8
83.08605	35.0
84.48191	1.9
85.02898	31.3
85.06546	3.8
91.05462	54.8
93.07029	47.6
95.04949	44.8
95.08590	29.5
97.02862	3.3
97.06532	14.5
97.10162	21.6
99.04453	1.9
99.08067	2.4
105.07014	45.0
105.40348	1.9
107.04943	23.6
107.08585	40.5
109.06511	12.2
109.10144	17.3
109.30217	2.2
111.04440	18.7
111.08077	12.9
117.07039	16.7
119.08563	40.8
120.78712	1.9
121.06483	13.1
121.10143	22.7
123.08061	25.3
123.11662	1.9
125.09622	23.6
129.06995	18.1
129.07825	1.7
131.08553	26.2
132.05827	2.0
133.06479	9.9
133.10095	23.2
135.08028	9.7
135.11687	10.7
137.09596	7.5
142.07715	2.4
143.08548	10.6
145.10098	20.9
147.08060	12.5
147.11673	22.6
149.09616	11.1
153.09087	3.0
153.12735	4.0
155.08647	2.0
157.10114	23.1
159.11717	4.3
161.09653	8.2
163.11179	19.1
171.11691	2.3
173.09593	3.0
175.11089	15.6
181.12279	3.6
185.13281	2.1
189.11232	16.5
189.12729	2.3
191.10663	2.2
193.12236	30.2
199.11177	2.1
211.13246	32.1
223.13370	3.0
227.12759	15.4
227.17888	3.5
245.18889	2.7
245.86510	2.1
255.17241	2.8
267.15872	13.1
273.18491	25.0
283.15457	8.3
285.16956	42.7
291.19516	35.1
309.20776	2.4
347.22165	4.6
365.23218	22.5
383.24179	10.4
477.27838	4.7
481.51733	2.8
539.32880	3.8
557.34625	33.1
575.35889	35.7
593.36566	25.9
607.31122	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	790.4581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	20.8
55.05506	50.2
57.03433	28.7
57.07062	4.8
59.04997	1.0
61.02919	9.1
62.88995	0.9
65.03933	4.4
66.35221	1.2
67.05492	97.5
69.03414	14.1
69.06706	1.9
69.07054	31.2
71.01349	5.8
71.04977	10.8
73.02908	2.4
73.64352	1.0
79.05476	76.7
81.03397	45.4
81.07040	100.0
82.04208	2.1
83.04964	27.7
83.08610	21.3
85.02898	18.5
85.06509	8.7
86.09676	2.3
91.03955	2.0
91.05460	75.7
92.08560	1.2
93.07024	68.6
94.04157	1.1
95.04950	33.2
95.08588	38.3
97.02863	11.9
97.06513	19.5
97.10156	11.6
98.07269	1.4
99.04421	1.4
99.08036	1.5
101.06026	1.3
103.05429	1.5
105.04462	1.2
105.07010	46.9
107.04949	15.7
107.08580	38.3
109.02858	1.7
109.06503	14.7
109.10130	20.3
111.04420	4.6
111.08065	10.8
115.05444	1.9
116.04709	7.6
117.07003	21.0
119.08566	35.7
121.06496	7.0
121.10122	17.6
123.04386	1.7
123.08043	9.3
123.11668	4.4
125.09601	13.4
127.03933	2.0
127.07438	1.2
128.06232	2.6
129.05476	20.5
129.06960	14.8
131.04880	1.7
131.08556	21.9
132.73676	1.1
133.06454	6.2
133.10110	28.7
135.07976	8.9
135.11674	17.8
137.09569	5.5
139.07471	1.6
141.06941	1.3
142.07755	2.1
143.07022	4.7
143.08562	6.4
145.06410	2.1
145.10091	18.1
147.08054	2.6
147.11687	14.5
149.09593	13.4
149.13231	8.5
151.11171	4.5
153.12708	1.2
155.08540	1.4
157.08582	7.1
157.10019	8.0
159.11676	9.6
161.09619	1.8
161.13231	1.6
163.11157	10.9
165.12781	1.4
169.10069	1.5
171.06538	1.8
171.10172	2.4
171.11639	2.4
173.04474	1.6
173.09601	1.5
173.11835	2.7
173.13235	4.0
175.11171	8.1
177.12717	1.4
181.12164	2.0
184.07329	7.4
187.14735	1.2
189.11208	4.1
191.10728	1.3
193.12199	19.7
195.13789	1.5
199.13245	2.3
208.58211	1.2
209.11658	2.6
211.13214	15.8
211.14978	1.4
217.08012	1.4
227.12750	4.9
229.14256	1.7
233.21941	1.2
247.20406	1.4
255.15823	10.3
267.15881	12.7
269.17392	18.7
273.18484	1.3
275.19998	7.9
283.15292	5.2
285.16916	13.2
291.19452	4.7
293.21170	1.6
297.16882	1.5
299.14783	1.8
301.16388	22.2
347.40070	1.3
349.23679	9.1
365.23004	2.0
367.24524	1.5
391.54010	1.1
411.26956	1.6
423.27496	10.4
447.27322	2.3
453.28928	1.7
461.28467	2.0
465.28510	6.3
477.28287	5.0
481.27859	6.2
495.29349	18.0
557.34473	6.5
559.36200	2.6
575.35718	13.0
593.36853	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	790.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01650	1.7
55.01868	24.3
55.05505	64.5
57.03429	33.2
57.07053	2.2
61.02903	7.4
63.52131	1.6
64.70329	1.8
67.05141	3.1
67.05491	72.0
69.03431	12.5
69.06776	1.7
69.07057	30.4
71.04977	8.5
73.02892	9.5
79.05477	70.4
81.03388	27.3
81.06596	3.1
81.07040	69.2
82.04205	4.1
83.04958	29.5
83.08596	39.2
85.02872	10.4
91.05461	56.6
93.07016	64.8
95.04943	100.0
95.08586	30.4
97.02859	4.2
97.06503	20.7
97.10152	25.4
98.07266	8.0
99.04424	4.4
99.08067	2.4
101.05981	2.0
103.05400	2.3
105.07006	50.7
107.04941	27.7
107.08578	47.9
109.06484	11.7
109.10127	22.9
111.04433	14.2
111.08029	12.9
116.04669	15.1
117.06979	20.1
119.08555	38.7
121.06482	15.4
121.10085	24.4
123.08065	13.8
123.08804	1.6
123.11690	3.1
125.09611	22.8
128.06187	2.3
129.05449	46.4
129.06914	12.5
131.04872	1.9
131.08557	26.1
133.10085	30.9
135.08025	7.3
135.11624	14.9
136.08905	2.0
137.09587	7.2
139.11188	2.9
141.07028	2.0
142.07739	1.7
143.07004	9.2
143.08537	3.7
145.06557	2.4
145.10104	32.8
147.08022	4.4
147.11656	18.1
149.09586	36.5
149.13295	1.9
151.11156	3.3
153.09128	2.0
157.08572	19.2
157.10074	12.2
159.11685	12.7
161.09540	4.5
163.11142	40.1
165.12704	4.2
169.10094	3.8
171.10173	8.2
171.11671	3.0
173.09656	3.1
173.11711	2.2
173.13274	1.7
175.11150	7.1
177.12773	7.3
185.11732	2.3
187.11183	4.5
187.14816	2.9
189.11229	14.2
193.12215	8.4
195.13701	2.4
199.13226	8.4
209.11629	2.9
210.12422	2.0
211.13226	3.7
223.13226	31.5
227.12756	14.5
239.17865	2.1
247.20555	2.8
255.15916	2.3
257.18930	8.3
267.15753	9.2
275.19995	48.4
283.15247	3.7
291.19528	8.1
293.21011	26.5
301.16373	77.2
349.23578	18.3
367.24725	36.8
521.34540	2.5
530.85144	2.0
557.34509	7.4
558.35474	2.4
559.36084	8.8
575.35760	23.9
576.36279	2.3
593.36761	72.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	26.9
55.05502	71.3
57.03425	38.5
57.07062	3.7
59.04978	2.5
60.97586	1.6
61.02900	10.6
65.03923	3.6
67.05488	90.0
68.05791	2.3
69.03413	12.4
69.06670	1.6
69.07049	42.5
71.04972	12.1
73.02883	9.0
79.05470	86.2
81.03394	34.0
81.07036	100.0
82.04158	3.5
83.01363	1.6
83.04951	32.7
83.08604	44.3
83.92783	1.6
85.02878	15.1
85.06515	8.8
87.04443	2.3
91.05457	85.2
92.05798	1.9
93.07016	79.3
94.07816	2.3
95.04949	52.8
95.08575	51.8
97.02856	10.0
97.06505	22.4
97.10132	18.6
98.07280	8.0
99.04440	3.0
103.05431	1.7
104.94410	1.5
105.06361	3.3
105.07008	66.1
107.04934	30.3
107.08569	61.7
109.06506	22.5
109.10135	27.6
111.04427	4.0
111.08047	16.3
115.05428	2.5
116.04710	18.8
117.06991	30.5
118.75079	1.6
119.08558	58.5
121.06483	13.8
121.10115	32.6
123.08026	13.3
123.11660	3.0
124.99979	1.7
125.09595	23.3
127.07456	2.2
129.05457	49.9
129.06915	14.7
131.08527	38.1
133.06512	3.3
133.10092	48.2
135.08020	11.0
135.11642	16.6
137.09583	9.6
139.11118	2.0
141.06888	1.9
143.07045	13.9
143.08508	10.5
144.09265	2.7
145.06427	2.2
145.10117	36.7
147.08031	6.7
147.11647	27.2
147.76460	1.7
149.09578	28.6
149.13290	8.0
151.11166	8.0
155.08522	9.1
157.08569	22.7
157.10075	16.2
159.07983	2.8
159.11659	17.8
161.09483	3.8
161.13214	6.6
163.11147	33.5
165.12692	6.5
169.10117	6.9
171.10112	6.3
171.11603	6.5
173.09618	3.9
173.11803	2.0
173.13216	9.9
175.11136	11.8
177.12630	4.0
181.12224	2.6
183.11714	3.1
183.81790	1.6
184.07300	8.1
185.13254	2.9
187.11104	2.4
189.11140	12.5
189.12708	3.1
191.14365	2.1
193.12154	10.6
197.13171	4.2
199.13237	9.8
200.13954	2.8
205.12068	1.9
211.13292	7.7
215.14287	1.8
221.74052	1.7
223.13205	2.0
227.12706	16.3
229.14294	2.5
229.19449	3.9
230.49310	1.8
239.17947	7.1
255.15576	2.7
257.18884	8.3
267.15744	12.3
269.17438	3.5
273.18588	2.0
275.19989	59.5
283.15317	8.9
285.16849	2.0
293.21036	7.9
301.12921	2.8
301.16376	80.4
349.23587	42.2
367.24719	16.6
423.27298	2.6
461.28519	2.0
463.30765	3.6
482.00870	1.9
503.33459	4.1
541.34796	7.1
543.36121	7.0
557.34326	7.9
558.35724	1.9
559.35773	3.2
575.35712	48.3
593.36761	47.7
607.34857	2.0
636.53149	1.8
756.97986	1.8
789.13995	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4577
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	18.2
55.05502	35.4
55.05757	1.5
57.03426	23.6
57.07060	4.4
59.04992	1.1
61.02907	5.5
63.80136	0.7
65.03926	1.4
67.05491	55.0
69.03410	6.8
69.06706	1.5
69.07054	23.7
70.04196	0.9
71.01330	1.2
71.04964	4.8
73.02897	5.0
77.81737	0.7
78.25471	0.7
79.05474	51.1
79.41081	0.8
80.06242	0.9
81.03390	17.5
81.07037	100.0
81.64307	0.8
82.04171	1.9
83.04964	16.6
83.08600	18.8
85.02872	6.0
85.06519	2.1
87.04446	1.0
91.03920	1.1
91.05460	43.5
91.06003	1.7
93.07027	44.5
94.07785	1.0
95.04948	23.3
95.08580	27.2
97.02837	6.6
97.06509	13.8
97.10152	11.7
98.07301	5.0
99.08055	2.5
101.05988	1.0
103.05462	1.3
105.04450	1.2
105.07013	33.8
105.51339	0.8
107.04940	12.0
107.08575	27.0
109.06506	23.6
109.07185	1.4
109.10126	15.6
111.04457	1.8
111.08033	7.1
116.04686	14.6
117.07003	12.7
119.08564	29.8
121.06473	7.9
121.10117	17.5
122.07262	0.8
123.04391	1.0
123.08037	11.3
123.11684	4.8
125.05933	0.8
125.09605	13.1
127.11219	1.2
129.05464	33.8
129.06912	7.9
129.41678	0.8
131.08539	18.7
133.06470	1.8
133.10098	24.5
133.11032	1.3
135.08014	6.7
135.11658	8.1
137.09595	5.1
139.11166	0.8
141.06935	1.0
143.06987	6.2
143.08556	3.3
145.06487	0.9
145.10141	12.8
147.08018	3.7
147.11659	18.5
149.09613	11.5
149.13254	5.7
151.11102	3.3
153.09122	1.4
155.08528	0.9
157.08614	14.7
157.10112	7.8
159.11641	6.3
161.09604	3.7
161.13275	3.3
163.11148	9.6
165.12764	4.5
169.10088	1.3
171.06508	1.2
171.10144	6.7
171.11604	1.6
173.09584	1.8
173.11824	1.0
173.13269	3.5
175.11179	3.9
177.12653	3.8
184.07430	1.3
185.11761	1.3
187.14804	1.0
189.05008	1.0
189.11180	7.1
193.12190	7.0
195.13770	1.6
196.88002	1.1
199.13185	3.1
200.14163	1.2
209.11646	1.1
211.13205	1.3
219.13654	1.1
222.60237	0.9
227.12756	7.0
229.14415	1.1
229.19521	1.8
233.15523	1.0
247.20441	1.4
255.15739	0.9
257.19000	1.9
267.15976	3.7
269.17426	3.3
273.18488	1.6
275.19989	29.8
283.15329	3.4
291.19608	1.4
293.21021	4.3
301.16409	53.7
349.23618	15.0
367.24680	14.6
423.27518	2.0
541.35431	8.0
557.34479	3.7
559.35956	4.1
575.35645	31.0
593.36835	34.1
639.82813	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	19.7
55.05500	42.2
57.03428	25.6
57.07068	3.2
61.02913	9.9
65.03925	3.2
67.05489	86.9
69.03421	12.3
69.06670	1.6
69.07049	44.7
71.01339	5.3
71.04962	9.3
73.02908	1.5
79.05470	77.8
80.06266	1.3
80.70712	1.3
81.03399	55.3
81.07036	100.0
83.04961	25.8
83.08598	25.8
85.02887	26.3
85.06530	5.7
88.38615	1.1
91.03938	2.2
91.05459	81.3
93.07016	63.6
93.89508	1.5
95.04945	36.9
95.08580	43.3
97.02872	10.1
97.06481	16.7
97.10151	12.0
98.07297	2.3
99.04409	1.9
99.08089	2.0
105.07009	56.5
107.04919	15.9
107.08572	27.5
109.06491	12.0
109.10127	20.5
111.04394	1.9
111.08070	11.3
115.05466	2.7
117.07005	18.8
119.08556	42.0
121.06508	7.2
121.10109	21.3
123.04416	1.4
123.08034	10.7
123.11689	6.6
125.09558	9.5
127.03831	1.6
128.06221	2.6
129.05434	12.1
129.06949	15.8
131.08546	24.2
133.06494	2.0
133.10089	32.5
135.08061	6.7
135.11665	17.7
137.09610	8.9
142.07736	2.5
143.08559	5.2
145.10129	12.8
147.08044	5.8
147.11653	18.6
149.09596	14.2
149.13225	6.0
151.11188	2.4
157.08722	3.6
157.10103	15.2
159.11670	6.8
161.13203	2.2
163.11125	10.1
165.09128	2.1
165.12704	1.6
169.10092	2.6
171.11592	2.8
173.09563	1.5
173.11809	2.6
173.13199	2.7
175.11162	12.3
177.12802	1.5
189.11234	1.9
189.12764	1.4
193.12198	23.0
195.13821	1.8
211.13266	25.3
227.12700	2.8
229.14316	5.5
252.34502	1.4
255.15901	7.0
267.15887	15.8
269.17355	7.4
275.19952	15.3
283.15479	2.5
285.16922	24.0
291.19669	5.0
301.16418	14.4
310.09042	1.5
333.24869	1.4
349.23651	15.9
365.22806	1.9
423.27191	3.2
439.26517	6.3
453.28186	1.6
465.28366	2.1
481.28036	2.7
495.29297	11.7
541.34875	5.5
557.34259	3.1
559.36304	15.4
563.30609	1.5
575.35559	12.5
577.37170	2.5
593.36487	1.7
745.57489	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	790.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.0
57.03417	0.6
57.07058	1.2
61.02898	0.9
63.09871	0.4
65.21142	0.4
65.85167	0.5
67.05504	3.4
69.03417	5.8
69.07042	0.6
71.04965	0.8
79.05473	1.9
80.14954	0.4
81.03396	0.7
81.07037	17.9
83.04945	0.8
85.02885	91.8
87.04450	2.4
91.03883	0.4
91.05457	8.3
93.07014	2.5
95.04940	1.2
95.08590	5.6
97.02867	4.8
97.06557	0.6
105.07008	9.2
107.04949	0.8
107.08575	6.7
109.02830	0.6
109.06488	3.8
109.10133	13.4
111.04430	1.0
115.03903	2.6
117.06936	0.6
117.84626	0.5
119.04903	5.9
119.08539	9.2
121.06509	0.8
121.10123	10.7
123.08027	1.9
123.11675	100.0
124.72986	0.5
125.05973	7.8
125.09629	0.5
127.03853	0.9
131.08525	2.4
133.04926	2.3
133.06442	1.7
133.10059	0.5
135.04355	0.5
137.05914	0.5
137.09631	0.9
141.05397	1.0
143.08560	0.7
145.04883	0.9
145.10095	6.0
147.04382	20.1
147.08015	3.8
147.11652	16.5
149.09587	9.2
151.07524	3.2
156.09221	1.6
160.24712	0.4
161.13231	2.4
163.03824	0.8
163.11107	0.7
165.12726	2.0
169.08669	1.5
171.11652	1.1
174.10393	1.1
175.03841	4.5
178.79005	0.5
179.14293	0.9
189.12697	18.6
192.04147	1.1
207.06483	8.7
207.13757	52.0
223.09564	0.6
225.07516	4.9
225.14799	49.8
303.05157	0.5
327.54785	0.5
369.19131	0.7
390.23245	0.6
404.22803	1.8
422.40125	0.5
611.51019	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.1
56.05013	0.8
57.07053	0.2
58.06580	0.3
58.29864	0.2
60.08150	8.6
60.49807	0.2
69.07056	0.2
71.07356	4.5
79.05456	0.4
81.07001	0.3
85.38522	0.2
86.09685	48.5
91.05480	0.2
94.46649	0.2
95.08576	0.2
98.98432	3.6
99.00182	0.2
99.61063	0.2
104.10709	3.9
105.07030	0.2
107.08527	0.3
116.99474	0.2
117.17881	0.2
124.99974	35.3
131.08524	0.2
143.01042	0.8
183.01805	0.2
184.07298	100.0
185.07704	0.2
284.77994	0.2
788.54144	10.3
789.54114	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.5426
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05033	0.5
58.06584	0.3
58.81970	0.2
60.08150	8.3
64.32852	0.2
67.05476	0.4
67.75513	0.2
71.07354	4.7
79.05499	0.4
81.07038	0.9
86.09689	49.7
91.05485	0.3
93.07014	0.4
95.08597	0.4
98.98443	5.1
100.34767	0.2
104.10720	4.4
105.07008	0.3
119.08562	0.2
124.99977	36.5
127.78863	0.2
136.08112	0.2
143.00996	0.5
184.07301	100.0
185.07729	0.4
596.70984	0.3
690.46185	1.4
770.52539	1.0
788.53912	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	789.5132
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.8
55.05496	22.6
57.03415	6.6
60.08137	5.8
67.05492	47.9
68.91624	3.2
69.07056	23.5
79.05482	32.6
81.07037	59.9
83.08605	3.6
86.09684	49.9
87.09998	3.7
91.05463	58.3
93.07018	41.7
95.01301	5.2
95.04964	5.4
95.08583	43.4
97.06524	12.0
98.98402	3.8
105.07009	67.9
106.55593	2.9
107.04948	13.2
107.08555	17.7
108.98470	3.2
109.10129	13.1
117.07001	7.6
119.07832	2.9
119.08524	27.7
121.10102	13.1
123.08009	3.4
124.99987	39.0
131.08521	15.3
133.10078	26.5
135.11702	5.9
145.10104	7.3
147.11679	5.8
159.11572	3.6
160.35934	3.7
184.07297	100.0
185.07660	7.7
234.73280	3.1
275.20154	23.7
287.59213	3.3
335.25848	38.6
339.98822	3.1
349.23572	5.4
609.45105	72.9
783.35016	3.7
788.52502	4.6
789.54834	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	788.5427
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05488	0.6
56.05006	0.4
60.08151	8.6
67.05487	1.3
69.03392	0.4
69.07035	0.5
71.07356	4.1
77.48801	0.4
79.05476	1.0
81.07036	1.6
86.07304	0.4
86.09689	50.3
91.05447	1.8
92.08875	2.2
93.07014	1.7
95.04939	0.4
95.08569	2.0
98.98442	3.8
104.10713	3.5
105.06995	1.4
107.08571	0.7
116.41341	0.4
119.08563	1.6
121.10138	0.5
124.99979	34.6
133.03304	0.4
133.10074	0.6
143.01001	0.6
145.10147	0.6
148.00722	0.4
159.11705	0.5
160.85536	0.4
184.07307	100.0
185.07620	0.9
228.69394	0.4
235.05475	0.4
397.25174	0.5
770.52643	6.2
788.54413	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	788.4773
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	14.3
55.05233	1.2
55.05500	35.1
57.03424	23.2
57.07051	2.6
59.04982	1.5
61.02906	4.6
65.03926	3.1
67.05486	62.9
67.80944	0.6
69.03106	0.6
69.03419	6.6
69.07049	29.8
69.48251	0.7
71.01340	0.8
71.04970	14.7
73.02898	1.6
73.06535	1.2
79.04987	1.3
79.05467	54.7
81.03391	82.2
81.07030	93.8
83.04955	19.2
83.08594	29.8
85.02879	20.5
85.06526	5.7
91.05451	74.9
93.07015	53.1
95.01307	4.7
95.04942	39.9
95.08571	40.4
97.02851	6.1
97.06493	16.6
97.10141	5.9
99.04420	1.1
99.08061	2.9
103.05453	1.1
105.04472	1.5
105.07002	82.9
106.07291	0.8
107.04932	24.4
107.08566	31.3
109.02810	0.8
109.05806	1.1
109.06496	18.7
109.10130	24.7
111.04441	6.0
111.08060	11.5
113.05997	1.7
113.09632	1.3
115.05447	3.3
116.04703	0.8
117.06982	15.7
119.04937	1.1
119.08544	52.0
121.06463	10.1
121.10097	19.6
123.04417	1.4
123.08041	9.2
123.11667	5.1
125.05960	1.2
125.09592	4.9
127.07525	0.8
128.06195	0.9
129.05437	3.7
129.06964	15.7
130.07753	0.9
131.08536	30.4
133.06448	7.0
133.10092	51.4
135.08043	6.9
135.11641	8.5
137.09579	6.1
141.07022	1.3
142.07751	3.8
143.08536	4.7
145.06487	1.4
145.10092	17.6
147.08006	6.8
147.11652	26.4
149.09598	15.8
149.13249	4.5
151.11133	9.0
155.08514	1.7
157.08742	1.8
157.10075	14.9
159.08044	1.5
159.11659	11.5
161.09598	4.2
161.13235	5.5
163.11139	8.8
165.12698	4.3
169.10089	3.2
169.12161	0.9
171.11679	3.4
173.09604	0.7
173.13232	3.9
175.11118	15.0
177.12634	2.6
179.14264	6.9
183.11664	3.4
184.07301	1.4
185.13264	1.7
187.11232	1.4
193.12192	30.0
197.13245	1.6
199.13313	0.9
205.12224	1.4
209.11742	0.7
211.13228	16.0
219.13696	1.0
223.13202	1.2
233.15462	1.0
247.20561	3.1
253.14288	15.7
257.18942	4.0
265.72125	0.8
267.15833	45.0
273.18298	1.8
275.19989	32.8
283.15286	1.7
285.16861	30.3
285.20041	1.0
286.09824	0.8
291.19519	4.3
293.20929	1.3
301.16379	5.0
307.22546	2.8
311.58130	0.7
327.42337	0.8
347.21753	1.2
349.23608	25.3
365.23135	4.7
379.08466	0.7
381.26282	9.9
400.25818	0.7
541.35095	100.0
542.35223	3.8
559.36121	24.5
573.36633	1.3
577.37012	6.2
582.08716	0.8
591.39154	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4423
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01639	1.4
55.01857	13.6
55.05506	26.8
57.03426	24.5
57.07072	1.6
61.02911	1.9
64.32967	1.4
65.03924	2.9
67.05490	56.3
67.05850	2.5
68.88940	1.3
69.03422	6.2
69.07054	15.1
71.01337	2.3
71.04980	5.9
79.05474	65.3
80.34116	1.2
81.03401	44.0
81.07038	100.0
82.04214	1.6
83.04967	23.2
83.08597	15.5
85.02888	17.6
85.06520	3.2
86.09689	2.9
91.05463	57.6
93.07027	43.3
95.04951	46.6
95.08597	22.4
96.05762	1.5
97.02896	2.6
97.06518	7.8
97.10145	8.1
99.08067	2.2
103.05415	1.4
105.07018	38.3
107.04933	30.7
107.08571	23.1
109.02848	2.0
109.06501	45.4
109.10143	15.5
111.04432	3.3
111.08042	6.1
113.05973	2.7
115.05456	3.0
117.06992	18.1
119.08566	34.9
121.06499	11.1
121.10133	12.9
122.07262	7.0
123.04382	2.2
123.08054	9.2
124.99989	3.0
125.09605	8.8
127.53059	1.2
128.06201	1.7
129.05447	6.2
129.06985	12.3
131.04883	1.4
131.08536	21.4
133.06471	9.4
133.10124	12.8
135.08044	9.3
135.11662	5.0
137.09602	12.1
139.92871	1.5
142.07774	2.6
143.08556	2.3
145.06416	2.9
145.10092	12.4
146.67194	1.2
147.08052	14.0
147.11684	11.5
148.66496	1.3
149.09558	14.0
151.07600	1.5
151.97115	1.3
153.09108	1.6
157.08765	1.9
157.10118	12.4
159.07973	2.3
159.11647	2.3
161.09604	16.9
162.10391	2.3
163.11153	6.5
165.09091	1.9
171.11627	1.6
173.09621	2.0
173.13237	1.8
175.11147	10.6
177.09103	1.6
184.07283	12.9
187.11064	1.6
187.14810	1.4
189.11096	1.6
189.12645	1.8
191.10753	1.5
193.12242	20.0
211.13237	16.9
211.57288	1.5
215.14317	1.5
227.12782	3.4
249.14764	1.4
261.14697	2.5
264.94766	1.4
267.15927	10.6
271.16888	1.8
273.18411	11.1
275.20071	1.9
283.15225	1.5
285.16922	28.1
289.17984	3.3
290.18842	2.5
291.19531	11.0
301.16415	3.1
307.19006	3.3
319.40463	1.4
337.75055	1.6
347.22125	5.6
363.21515	2.4
365.23157	3.0
381.22562	16.1
439.26746	2.5
537.32495	1.6
555.32965	2.2
557.34393	6.6
573.34155	29.4
574.34314	2.7
591.35138	46.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4418
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	29.3
55.05504	41.5
57.03428	26.7
57.07059	4.3
59.04985	1.4
61.02905	6.7
65.03920	4.7
67.05495	87.6
69.03424	13.2
69.07058	35.7
71.04984	8.6
71.08565	1.1
73.02888	5.6
73.06543	1.4
79.05476	68.4
80.05814	1.2
81.03403	73.4
81.07038	100.0
82.04172	2.6
82.16923	1.0
83.01366	1.0
83.04972	27.2
83.08598	22.4
85.02886	9.3
85.06529	10.0
90.25147	1.0
91.03932	1.6
91.05461	99.0
92.08951	4.3
93.07026	68.0
95.01296	4.2
95.04949	44.2
95.08588	41.7
97.02863	7.9
97.06508	22.9
97.10135	8.1
98.07264	5.2
99.04415	4.1
99.08063	1.6
103.05448	2.1
105.04469	1.8
105.07017	97.2
107.04944	25.3
107.07861	2.2
107.08579	55.1
108.05714	1.0
109.06519	16.9
109.10147	53.4
111.04427	5.5
111.08051	10.2
113.05978	1.1
115.05423	4.8
116.04671	6.9
117.07003	24.6
119.04917	1.5
119.08564	49.3
121.06500	12.1
121.10107	16.2
123.04370	1.8
123.08039	9.2
123.11679	10.0
125.09599	10.8
127.07523	2.4
127.11117	1.1
128.06204	2.3
129.05458	19.2
129.06955	12.8
130.07790	2.2
131.08546	33.3
133.06444	6.5
133.10106	90.4
135.08011	10.7
135.11671	11.7
137.09615	7.4
141.06975	1.8
142.07759	2.5
143.06985	4.0
143.08566	8.8
145.06511	1.2
145.10126	20.0
147.08070	5.3
147.11653	17.5
148.08658	1.3
149.09607	15.9
149.13206	2.6
151.11172	25.5
155.08545	1.8
157.08585	9.0
157.10085	12.6
159.08072	2.3
159.11655	8.5
161.09566	7.0
161.13222	4.4
163.11154	10.7
165.09019	1.4
165.70639	1.1
169.10060	1.9
169.12227	4.7
171.06494	1.7
171.10191	2.2
171.11673	5.0
173.09616	2.1
173.13235	4.6
175.11107	9.0
177.09111	1.2
177.12764	4.2
178.69263	1.2
179.10640	1.2
179.14305	5.3
183.11681	2.5
184.07312	2.1
185.13226	1.5
187.14809	1.2
189.11230	2.0
191.10674	1.1
193.12146	14.7
199.13211	1.6
201.12781	1.3
205.12215	1.3
205.95851	1.1
209.11514	1.8
211.13297	5.2
227.12715	5.5
253.14307	46.7
257.19080	1.3
263.20160	1.5
267.15842	50.2
267.18625	2.1
271.15271	1.7
273.18359	13.4
275.19995	24.3
285.16861	2.7
291.19522	14.6
301.16394	30.4
325.16406	2.3
347.21967	7.3
349.23596	14.7
365.23251	16.3
395.24216	1.1
461.28537	1.2
463.26993	1.3
497.20425	1.7
497.27325	19.8
519.32507	1.4
541.35156	98.6
557.34601	2.3
559.36127	5.8
573.34705	1.4
591.35052	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	788.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	30.1
55.05505	60.6
57.03426	27.5
57.07069	2.3
59.04989	2.7
61.02916	11.7
65.03914	2.2
67.05493	92.7
69.03427	12.1
69.06706	2.8
69.07052	48.7
69.66677	1.5
71.01313	6.7
71.04982	15.4
73.02888	6.9
75.44956	1.3
77.08402	1.4
79.05000	2.0
79.05470	94.9
81.03404	35.4
81.07037	100.0
83.01338	14.1
83.04964	34.1
83.08603	22.9
85.02878	14.5
85.06522	3.9
91.03939	2.6
91.05459	86.9
93.07017	88.1
95.04942	40.1
95.08579	47.1
97.02861	13.8
97.06512	21.2
97.10169	11.9
99.04446	3.1
99.08072	2.3
103.05492	2.0
105.07011	65.8
107.04957	19.3
107.08577	47.6
109.06483	20.6
109.10138	28.1
111.04426	7.1
111.08053	11.3
115.05429	2.0
116.04668	3.2
117.06985	22.7
119.08559	44.0
121.06488	15.0
121.10122	21.1
123.08044	15.8
123.11675	6.8
125.09599	11.6
127.03878	3.2
128.06192	3.3
129.05466	14.6
129.06981	12.7
130.07750	6.1
131.08537	25.1
133.06439	3.2
133.09157	2.9
133.10106	42.1
135.08069	11.1
135.11658	22.2
137.09612	12.9
141.07050	2.1
143.06998	2.4
143.08536	6.8
145.10083	30.4
147.08026	7.9
147.11665	17.8
149.09595	15.5
149.13277	2.1
151.11166	8.5
153.12776	2.7
155.08542	2.4
157.10144	3.9
159.11674	8.1
161.09569	3.6
161.13228	3.0
163.11136	38.0
171.11679	2.8
173.09596	3.5
173.11815	2.4
173.13231	1.7
175.11160	3.3
177.12712	3.1
181.12190	3.4
189.11183	3.0
191.10617	2.4
193.12233	2.1
205.12129	1.9
209.11720	8.6
211.13286	3.1
223.13293	3.7
227.12793	7.9
229.14351	1.9
239.18027	1.8
253.14409	11.9
257.18973	3.2
267.15829	7.2
269.17560	2.1
273.18448	7.7
275.19891	19.0
283.15353	53.8
285.16919	3.0
291.19504	30.3
301.16562	8.1
349.23764	17.0
365.23117	16.9
379.21024	3.3
437.25323	11.0
451.26938	8.0
461.28973	8.0
463.26770	7.1
492.30780	2.0
507.99390	1.7
557.34717	28.1
573.33765	3.2
591.34808	16.8
598.23352	1.8
627.07281	2.5
666.50494	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	24.7
55.05502	54.1
57.03432	26.0
57.07087	3.7
59.04990	5.4
61.02911	5.6
61.47818	1.0
64.93787	0.9
65.03921	1.3
67.05488	60.2
68.38687	0.9
69.03410	6.6
69.07051	28.4
69.78126	0.8
71.01359	0.9
71.04974	10.4
73.02895	1.7
79.05470	76.9
81.03394	31.1
81.07037	100.0
83.01324	13.3
83.04472	1.4
83.04960	32.4
83.08595	36.8
85.02882	15.5
85.06533	4.2
85.24898	1.1
91.03949	1.8
91.05460	54.9
93.07019	67.8
95.04940	29.3
95.08580	31.8
97.02863	7.7
97.06508	13.0
97.10146	36.8
99.04452	4.9
99.08075	1.6
105.04511	1.1
105.07008	40.5
107.04935	27.5
107.08566	44.0
109.06499	19.6
109.10136	14.5
111.04432	19.3
111.08073	11.8
115.05396	2.1
117.06992	27.7
119.08557	38.2
121.06490	20.3
121.10123	23.1
123.04430	1.8
123.08042	37.1
125.06010	2.0
125.09615	26.6
125.10524	1.3
128.06184	2.2
129.06969	13.9
130.07750	1.9
131.08536	22.2
133.06442	4.3
133.10110	14.0
135.08026	14.0
135.11665	21.0
137.09596	9.8
139.07581	1.1
139.11153	1.3
141.06932	1.4
142.07784	1.8
143.08540	9.1
144.09335	1.1
145.06483	5.4
145.10092	37.0
147.08008	17.0
147.11610	9.0
149.09598	9.7
149.13203	2.3
153.09074	2.6
153.12730	8.2
155.08545	5.6
157.10081	8.3
159.07974	4.2
159.11674	6.5
161.09526	9.5
161.13261	1.1
163.11137	43.8
163.12471	1.8
165.09120	5.0
165.12669	1.4
169.10184	1.8
171.11673	5.7
173.09573	10.5
175.11172	7.5
177.12770	1.2
181.12201	8.9
183.11702	1.8
185.09613	1.5
185.13249	1.4
189.11221	13.7
189.12770	1.9
191.10652	6.8
193.12209	8.0
209.11624	7.8
223.13252	4.1
227.12764	19.5
245.19011	2.0
249.14743	1.6
255.17456	2.1
267.15985	2.5
273.18417	31.8
283.15326	77.6
289.18079	1.9
291.19479	57.7
309.20596	9.9
347.22049	8.6
365.23169	26.5
383.24240	16.6
453.24808	4.0
509.26898	1.7
533.60748	1.1
537.32202	1.2
555.33020	17.0
573.25092	2.2
573.34106	68.5
574.34076	1.3
591.35223	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	788.4421
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	14.9
55.05235	1.6
55.05501	47.5
57.00696	1.1
57.03174	1.8
57.03426	28.6
59.04972	2.3
60.13546	0.9
61.02905	7.9
63.56902	0.9
64.20677	1.0
65.03904	2.0
65.47870	1.1
67.05489	50.0
69.03417	10.4
69.07051	33.1
71.04977	10.1
73.02901	1.8
79.05473	61.8
81.03396	86.1
81.07033	71.0
83.04971	32.6
83.08599	38.8
85.02887	36.7
85.06504	2.1
87.04470	1.1
87.12328	1.2
91.03941	1.3
91.05454	63.3
92.08626	2.8
93.07015	44.3
95.04945	44.5
95.08584	20.4
96.89720	1.2
97.02863	10.1
97.06503	12.6
97.10143	16.3
99.00797	2.5
99.04402	2.2
99.08059	2.3
103.05434	1.4
105.04526	1.4
105.07008	43.8
107.04933	21.0
107.08573	29.5
109.02843	7.2
109.06489	18.5
109.10139	9.6
111.04411	9.4
111.08069	12.8
113.05983	4.8
115.03919	1.4
115.05428	6.6
117.07005	14.9
119.08549	43.4
121.06470	10.0
121.10113	18.2
123.04395	5.7
123.08038	8.9
123.11693	5.0
125.09624	10.9
127.07526	1.3
128.06201	2.4
129.06972	18.7
131.08530	24.6
133.06479	9.0
133.10100	27.5
135.04388	2.0
135.08008	17.6
135.11642	4.9
137.05898	1.3
137.09557	4.0
141.06960	1.7
142.07727	5.7
143.08548	6.7
145.06435	5.2
145.10121	12.1
147.08005	10.4
147.11656	20.2
149.08376	1.2
149.09564	11.4
151.11143	4.7
153.09016	2.0
153.12650	2.5
155.08507	2.2
157.10110	19.3
159.08003	9.3
161.09576	7.7
163.07480	7.9
163.11130	7.0
165.12715	5.2
172.33659	1.3
173.09587	4.6
175.11115	17.5
179.10649	2.6
189.11143	2.6
191.10741	1.6
193.12202	67.7
200.90909	1.3
211.13245	51.0
213.66945	1.2
219.13728	1.4
221.94449	1.2
227.12730	5.9
243.29630	1.3
243.79788	1.1
261.18436	1.8
267.15869	21.1
271.16965	2.7
283.15274	7.7
285.16904	46.8
289.15182	1.7
289.17960	20.6
307.19031	5.0
363.21542	8.0
381.22632	51.7
382.23013	1.4
475.26663	2.3
477.28256	2.8
481.29111	1.5
493.27985	1.9
499.30621	1.7
537.31378	1.4
555.33087	19.6
573.34143	45.5
574.33966	1.8
591.35132	100.0
592.35822	2.0
785.66650	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4988
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	13.2
55.05266	1.4
55.05506	28.1
56.18991	1.1
57.03425	11.7
57.07063	1.7
59.04976	1.2
61.02909	1.9
63.19247	1.0
65.03916	1.5
67.05143	2.9
67.05490	71.2
69.03410	2.5
69.07049	34.6
71.04966	3.2
71.08600	1.7
77.03940	1.3
79.05473	62.5
81.03400	9.8
81.07034	64.1
82.07346	1.5
83.04970	9.7
83.08593	10.1
85.02883	1.9
85.06533	2.0
86.09657	1.2
91.05459	81.9
92.05766	1.4
92.08736	1.8
93.07025	58.5
94.07347	2.2
95.01293	5.7
95.04935	14.8
95.08582	43.3
97.06522	18.0
97.10159	1.5
103.05443	2.1
105.07009	100.0
107.04919	20.9
107.08570	31.0
109.06505	7.5
109.10142	21.6
111.04476	1.7
111.08054	2.2
115.05445	2.7
117.06995	23.6
119.08560	53.3
121.06489	5.6
121.10104	16.2
123.08059	3.0
123.11667	2.8
129.07004	10.3
131.08525	26.8
133.06522	1.9
133.10098	49.0
135.07997	2.7
135.11697	10.7
135.82280	1.3
137.09599	1.4
142.07777	2.0
143.08562	9.9
143.35957	1.2
145.06551	1.4
145.10097	20.9
147.08008	1.5
147.11674	19.2
149.09586	5.9
149.13225	5.3
155.08527	1.7
157.10098	6.6
159.08066	1.4
159.11656	17.8
161.13235	10.6
167.25690	1.3
169.10153	3.0
171.11617	6.4
173.11812	1.7
173.13257	6.0
175.14793	5.3
179.14278	7.2
183.11674	2.7
185.13242	6.7
187.14769	1.3
199.14807	2.0
223.13138	1.4
229.14304	7.4
241.19391	7.6
257.18906	4.8
259.20416	11.9
275.19983	33.0
277.21579	1.3
278.83774	1.3
315.23224	4.6
333.24200	24.9
335.25797	8.6
336.26099	2.6
343.37286	1.3
349.23822	14.5
362.59726	1.4
489.36093	1.7
490.35559	1.8
607.43488	37.0
625.44263	6.5
772.04340	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	787.4986
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.9
55.05507	41.4
57.03426	14.6
57.07049	2.8
61.02931	2.5
65.03936	11.7
67.05497	66.6
69.03419	16.3
69.07062	29.8
71.04971	4.8
74.05598	2.2
79.05479	65.9
80.77529	2.4
81.03413	34.2
81.07043	63.2
83.04970	11.3
83.08616	13.4
85.02895	6.7
85.06537	3.5
91.04942	4.8
91.05468	66.4
93.07024	64.5
95.04954	14.9
95.08597	37.4
97.02859	5.4
97.06516	10.7
105.07022	65.3
107.04936	10.2
107.08600	36.9
109.06509	5.0
109.10143	13.4
111.08038	2.6
117.07014	26.6
119.08556	44.0
121.02866	4.6
121.06444	5.1
121.10143	18.0
123.11678	3.1
127.03890	3.5
128.06183	4.7
129.05458	3.6
129.06975	23.0
131.08548	36.2
133.10101	31.0
135.08118	4.5
135.11676	9.7
139.03874	3.6
141.07011	5.6
143.08554	22.7
145.10080	28.6
147.07982	3.9
147.11725	18.3
149.02341	100.0
149.03387	5.4
149.09619	5.2
149.13310	9.7
150.02661	28.9
154.34351	2.9
155.08572	11.4
157.10066	20.6
159.11685	18.1
161.13243	3.2
163.11089	3.8
167.08557	4.5
169.10110	16.9
171.11690	14.9
173.09566	2.7
173.13249	5.8
179.08556	4.3
181.10121	5.2
183.11713	13.5
185.13225	9.8
187.32849	3.0
193.04944	58.1
194.05287	17.9
195.11732	5.2
197.13239	4.0
199.14955	5.0
201.12930	3.9
209.13237	4.8
211.14723	2.9
237.16402	2.8
240.40729	2.5
259.20511	4.5
265.19064	3.1
275.20044	5.5
299.25919	2.6
315.23318	2.7
333.24295	3.5
341.06876	3.1
357.05032	2.7
513.35284	4.6
527.37213	11.5
607.44012	23.9
625.44476	27.1
635.39319	3.3
769.48633	5.0
770.17932	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	786.5271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63738	0.7
56.05038	0.7
56.06259	0.7
57.70659	0.8
60.08154	9.2
67.45341	0.7
71.07350	2.0
79.05474	1.2
86.09692	50.6
98.98467	3.8
104.10738	4.9
124.99988	31.9
184.07304	100.0
218.54738	0.8
387.24033	1.1
457.75449	1.0
458.54681	0.9
785.57281	1.0
786.52124	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	786.5722
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	5.5
55.05502	32.5
57.03430	35.3
57.07070	80.6
67.05492	64.4
69.07059	42.0
71.08619	57.4
72.89697	4.3
79.05478	57.3
81.07035	72.3
83.08594	20.4
85.10169	20.8
86.09721	8.2
91.05476	78.4
92.08638	13.7
92.63603	4.9
93.07025	85.7
95.08588	52.5
97.10183	5.2
105.07024	100.0
107.08574	24.3
109.10150	24.4
117.07002	19.4
119.08563	78.4
121.10134	32.6
123.11752	6.2
124.99939	6.3
129.06979	6.5
131.08566	12.4
133.10100	54.6
134.13603	5.7
135.11687	7.4
143.08559	8.4
145.10103	11.5
147.11665	40.9
149.13243	9.3
157.10139	10.5
159.11656	18.7
161.13251	31.6
171.11682	10.0
173.13298	9.1
180.02933	5.4
184.07262	9.7
185.13287	11.3
199.14719	8.2
212.35202	5.3
241.19475	21.5
259.20532	65.4
313.27368	75.5
333.24185	46.3
350.17297	7.4
376.85849	6.0
387.12714	5.3
470.89844	5.4
476.85590	5.8
490.75208	6.8
499.48245	5.6
568.13239	5.9
571.46710	11.3
581.93677	5.3
589.48102	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4989
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	5.1
55.05502	20.6
57.03429	18.4
57.07056	1.8
59.04991	4.4
61.02914	2.6
65.03920	1.5
67.05493	100.0
69.03425	4.6
69.07063	15.0
71.04985	5.3
71.15969	0.9
73.02910	1.6
79.05477	38.4
81.03400	7.7
81.07037	57.2
83.04976	2.4
83.08601	7.4
85.02900	5.5
91.05459	28.1
93.07023	48.5
94.50311	0.9
94.85948	0.9
95.04954	10.4
95.08585	38.0
95.65115	0.9
97.02895	1.9
97.06513	4.7
97.10165	1.9
99.08083	1.4
105.07008	22.0
107.04942	7.2
107.08581	19.0
109.06503	7.3
109.10139	54.4
109.10845	2.1
111.04479	1.0
111.08040	2.5
117.06988	12.2
119.08562	20.0
121.06490	6.8
121.10106	12.2
123.08112	2.1
123.11693	1.7
125.09600	1.5
128.06238	1.3
129.06979	2.2
131.08513	10.6
132.66318	1.1
133.10117	9.3
135.11719	7.1
137.09615	2.5
139.64514	1.0
141.06982	1.9
145.10100	8.4
147.11676	6.1
149.13261	5.7
159.11688	8.7
161.13289	1.6
169.10155	3.9
171.11641	1.3
173.11719	8.4
173.13190	1.9
177.12747	1.9
182.89700	1.1
187.14871	2.3
199.14821	1.4
223.13214	10.2
227.12674	1.4
229.14299	36.6
243.21060	1.3
261.21985	7.9
275.19922	1.4
297.17047	14.0
308.16318	1.2
317.24200	1.2
335.25732	56.7
489.35681	23.8
507.36954	1.6
539.37250	2.1
557.38214	12.1
768.76947	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.5269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81469	0.2
56.05028	0.4
60.07864	0.5
60.08148	10.6
67.05483	1.4
71.07356	4.7
72.77964	0.3
73.03313	0.3
79.05479	0.4
81.07027	1.3
86.09686	51.0
91.05452	0.6
92.09146	1.4
93.07021	1.2
95.08572	0.4
98.98437	3.9
104.10709	4.1
105.06986	0.7
107.08569	0.4
116.99474	0.4
119.08504	0.4
124.99971	34.3
133.10120	0.3
184.07295	100.0
185.07658	0.4
186.33888	0.3
212.62164	0.3
270.46686	0.3
323.88959	0.3
533.03394	0.3
728.91388	0.3
768.50671	0.5
786.52606	12.2
787.53204	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.527
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81178	0.5
55.05484	0.5
56.05007	0.8
58.72297	0.5
60.07867	0.5
60.08150	9.0
62.69476	0.5
71.07350	4.7
76.18133	0.5
86.09689	51.7
97.18034	0.5
98.98438	4.3
104.10708	3.7
106.88738	0.5
110.28863	0.4
124.31963	0.5
124.99982	36.6
143.01030	0.7
170.75581	0.5
184.07303	100.0
358.04996	0.5
448.43536	0.5
768.51178	0.7
786.52203	9.0
818.36865	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81744	2.1
55.01856	9.4
55.05501	51.8
57.03419	27.2
61.02913	11.8
65.03930	2.6
67.05139	3.8
67.05486	94.7
69.03405	14.4
69.07048	36.1
71.04967	4.7
73.02886	2.2
79.05471	100.0
81.03397	23.8
81.07034	90.0
83.04953	19.2
83.08595	18.5
85.02892	13.8
85.06546	2.0
91.05456	92.2
92.09302	2.5
93.07018	84.2
95.04962	34.1
95.08578	49.9
97.02880	9.8
97.06509	13.8
97.10152	11.5
99.04469	3.6
103.05372	3.4
105.07005	85.3
107.04926	19.8
107.08573	44.2
109.06506	11.8
109.10121	22.6
111.08089	4.5
115.05444	4.0
117.06996	39.1
117.78522	2.4
119.08549	44.1
121.06486	11.6
121.10127	23.5
123.08070	9.3
123.11665	2.5
125.09612	9.7
129.06955	21.0
130.07779	3.2
131.08543	37.6
133.10077	29.6
135.08047	4.9
135.11633	17.7
141.06995	3.6
143.08554	19.2
145.06516	4.2
145.10056	24.3
147.07991	3.1
147.11671	19.4
149.09575	9.8
149.13235	4.1
151.11067	3.3
155.08519	3.1
157.10129	9.3
159.07996	3.8
159.11682	20.7
161.13202	10.7
163.11125	11.3
167.08572	2.4
169.10103	5.4
171.11678	12.9
173.11710	3.7
173.13223	8.9
175.14740	3.6
183.11671	5.0
185.13152	2.6
189.11156	3.0
195.11674	3.2
223.13188	31.9
227.12679	4.2
229.14301	4.4
241.19470	4.0
253.14233	2.9
257.19012	3.9
259.20474	14.0
269.17572	3.1
275.20105	9.6
283.15521	3.9
297.16776	25.0
304.26395	4.2
306.84045	2.8
327.23148	2.5
333.24179	8.4
349.23654	5.0
469.58023	2.4
472.33939	2.9
473.06720	2.7
473.71283	3.0
491.29956	18.8
555.36462	13.4
557.34680	5.1
640.41510	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	786.463
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	18.8
55.05504	45.1
57.03416	17.5
59.04959	2.6
61.02907	3.8
64.33278	3.4
67.05497	100.0
69.03409	5.8
69.07057	40.3
71.04970	5.1
79.05055	4.6
79.05481	95.4
81.03400	15.9
81.06604	4.1
81.07044	78.3
83.04961	17.7
83.08593	22.0
85.02901	4.0
85.06506	3.0
85.80560	2.8
91.05464	89.0
93.07025	84.8
95.04939	40.1
95.08582	46.0
97.06522	15.9
97.10177	4.6
105.07017	61.8
107.04949	24.3
107.08586	32.8
107.30856	3.4
109.06495	7.7
109.10137	25.8
111.08071	3.7
112.30750	3.2
117.07065	23.2
119.08562	48.0
121.06487	4.3
121.10127	13.9
123.08044	4.2
129.06982	14.9
131.08548	18.9
133.10088	26.2
135.11679	14.4
137.09650	6.3
143.08514	6.0
145.10117	27.3
147.11719	28.8
149.09583	15.6
159.11650	11.7
161.09572	5.3
161.13168	5.1
163.11147	22.8
171.11664	20.6
173.13300	3.3
207.13779	6.6
227.12712	6.1
257.19080	5.0
275.19995	23.5
281.17355	24.3
283.15302	16.0
349.23663	18.5
385.71472	3.5
435.27228	20.2
555.37085	26.8
555.44122	3.4
557.34265	18.9
575.35895	4.0
589.37341	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4474
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	14.0
55.05502	31.6
57.03425	20.9
57.07079	0.9
59.04985	3.5
61.02917	1.7
65.03923	3.3
66.26010	0.7
66.49608	0.7
67.05489	51.7
69.03411	14.3
69.07041	8.4
71.01344	1.5
71.04982	13.9
73.02892	4.4
75.04456	1.0
79.05472	41.2
81.03395	100.0
81.07032	42.5
82.04160	1.4
83.04954	18.0
83.08596	23.1
85.02881	8.4
85.06519	4.8
91.05455	33.6
91.06001	1.5
92.09316	3.5
93.07013	34.0
94.04178	1.1
95.04942	36.5
95.08578	17.7
97.02863	12.7
97.06502	12.2
97.10141	15.6
98.03641	7.3
99.04424	4.3
99.08066	1.6
103.03893	1.0
103.05406	1.1
105.07003	26.2
105.07655	1.3
107.04933	24.8
107.08578	18.8
109.02844	6.8
109.06501	7.7
109.10136	20.6
110.07278	5.6
111.04438	11.6
111.08055	8.7
113.05994	3.9
115.05472	1.8
116.04698	3.6
117.06992	10.9
119.04946	1.4
119.08553	22.4
121.02863	3.7
121.06441	7.4
121.10119	18.5
123.04404	5.3
123.08051	7.0
123.11649	0.9
125.05962	1.8
125.09599	12.8
127.03880	4.3
128.06216	1.3
129.05466	7.1
129.06958	12.7
131.04951	1.0
131.08539	15.5
133.06482	6.2
133.10088	9.9
135.04396	3.4
135.08018	3.7
135.11684	12.2
137.09616	1.9
141.06992	1.5
142.07771	1.3
143.08499	2.9
145.06487	4.4
145.10088	11.5
147.04437	1.1
147.08038	5.7
147.11655	15.0
149.09581	11.2
153.09058	5.3
153.12708	9.0
155.08577	4.1
155.84244	0.9
157.08751	2.5
157.10118	11.9
161.05930	1.4
161.09579	1.5
163.11145	15.0
165.12762	3.6
173.04443	6.9
173.09605	3.6
173.11703	3.9
175.11122	9.6
181.12076	6.0
183.11624	1.4
185.13202	0.9
187.11166	1.5
189.11206	5.3
191.10617	4.2
193.12195	24.1
195.11734	1.2
199.05983	1.3
199.13292	1.6
205.12169	1.7
209.11725	5.6
211.13268	3.8
219.13788	1.1
224.14000	1.1
227.12712	16.4
229.14308	14.8
231.13727	1.3
235.13310	1.4
241.14259	1.0
245.13734	1.1
247.13237	7.7
249.14735	3.5
255.15906	0.9
259.15524	1.4
267.15839	41.7
268.16238	1.4
269.17523	1.1
273.14667	1.3
283.15405	10.1
285.17078	1.2
289.14212	1.2
301.13647	1.3
301.16483	3.7
315.17877	1.5
321.16797	1.4
383.22049	3.2
401.22882	1.3
421.25659	12.4
447.27304	1.5
457.26151	1.1
459.27234	3.3
475.26611	11.6
477.28162	1.2
493.27667	5.4
507.29333	1.1
525.30273	3.5
546.51025	1.0
601.30176	1.1
619.31042	2.0
621.32751	1.7
637.31787	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	786.4269
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	26.9
55.05503	52.4
57.03427	27.1
57.07059	2.6
59.04979	6.9
61.02909	9.3
65.03912	1.3
67.05140	1.7
67.05490	43.5
69.03404	7.5
69.06706	2.1
69.07051	35.7
71.04974	8.7
73.02891	2.2
79.05474	64.8
81.03388	28.2
81.07035	73.7
83.01329	17.8
83.04963	29.0
83.08599	31.7
84.86396	1.3
85.02893	14.5
85.06477	1.2
85.92903	1.3
91.03951	1.8
91.05458	47.1
93.07018	64.5
95.04948	26.3
95.08580	20.2
97.02882	10.4
97.06503	9.8
97.10134	17.8
97.58344	1.3
99.00783	5.0
99.04411	3.0
99.08053	1.5
102.15108	1.2
103.05438	2.0
105.07018	35.0
107.04942	26.6
107.08571	40.1
109.02855	9.2
109.06492	23.4
109.10127	7.6
111.04414	8.3
111.08053	6.5
115.05424	2.5
117.07011	23.7
119.08546	27.6
121.02792	1.8
121.06467	13.7
121.10120	15.8
123.04422	5.1
123.08044	15.8
123.11707	1.8
125.05952	2.3
125.09605	12.2
129.06978	8.6
130.07759	2.1
131.04907	1.5
131.08559	12.1
133.06522	4.5
133.10083	17.4
135.08026	25.0
135.11656	18.0
137.05975	5.3
137.09586	8.9
139.07544	1.3
142.07733	1.5
143.08536	5.1
145.06456	8.7
145.10112	27.8
147.08012	6.6
147.11638	2.1
149.05960	1.6
149.09621	2.6
151.11148	2.5
152.81496	1.3
153.09119	2.7
153.12672	5.6
155.08516	5.6
157.10036	3.1
159.07979	6.8
161.09608	11.0
163.07520	8.7
163.11143	33.9
173.09547	7.6
175.11206	2.6
179.10657	5.7
181.12169	2.7
189.11157	4.9
191.10666	5.6
193.12190	19.7
209.11644	8.2
223.72766	1.3
225.16608	1.3
227.12680	10.3
261.18457	3.1
271.16791	5.3
283.12231	2.9
283.15335	88.5
289.17889	19.4
307.18982	2.7
363.21341	9.2
379.20993	1.5
381.11868	1.7
381.22607	70.3
496.81308	1.5
539.84515	1.3
571.32391	16.2
589.33606	100.0
590.33734	1.5
616.22961	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	783.3788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	6.3
55.05512	14.8
57.03426	13.9
60.72273	1.4
61.02906	1.7
64.33228	1.6
67.05489	25.7
69.03409	29.2
69.07043	6.8
71.04967	8.7
79.05470	23.1
81.03394	100.0
81.07030	35.7
83.04972	21.9
83.08598	19.4
85.02885	23.2
91.05462	37.2
93.07021	25.1
95.04945	28.7
95.08572	10.0
95.09111	1.6
97.02872	27.2
97.06493	3.5
97.10114	3.2
99.04448	8.1
101.02350	2.1
102.16299	1.8
103.05397	2.0
105.07012	28.1
107.04945	14.2
107.08587	14.7
109.02872	17.9
109.06493	6.2
111.04420	9.4
111.08049	9.2
115.05412	2.1
117.06985	4.0
119.04909	2.0
119.08553	19.8
121.06500	3.4
121.10126	10.2
123.04372	6.6
123.08022	2.1
123.11693	2.4
125.09641	1.7
127.03888	18.3
128.06206	1.8
129.07002	19.3
131.08565	11.2
133.06499	3.2
133.10077	11.3
143.08568	2.9
145.10118	6.6
147.04366	3.3
147.11682	17.6
149.09587	8.4
153.12755	2.6
157.10091	13.0
159.07994	2.6
159.11697	2.3
161.06010	2.3
163.11165	7.1
165.12695	5.9
167.07117	2.1
173.04422	3.6
175.11113	15.1
193.12207	32.5
198.31030	1.8
211.13245	27.5
227.12614	1.9
232.05125	1.7
267.15851	13.9
269.12039	1.7
285.10052	3.8
285.16904	7.1
301.14380	2.3
337.16302	6.2
352.97275	1.8
355.17392	2.9
376.50079	1.7
393.19189	2.6
411.20355	6.2
429.21118	6.6
438.18298	2.6
459.27316	10.8
477.28195	6.5
495.29483	2.5
603.31000	6.6
621.32410	12.9
639.33167	2.0
765.36267	2.3
783.38062	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	784.5324
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	0.2
56.05030	0.8
59.20803	0.2
67.05492	0.5
68.05003	0.2
69.07050	0.9
71.08611	1.3
72.73785	0.2
75.61305	0.2
79.05470	0.8
81.07027	1.0
86.09688	100.0
87.10004	0.2
91.05467	1.0
93.07011	1.1
95.08591	0.5
98.09666	1.2
98.87067	0.2
103.05458	0.8
105.07018	2.3
105.45156	0.2
107.08567	0.3
109.10143	0.2
110.09710	0.2
112.11217	7.7
119.08559	0.3
120.08078	40.7
121.10066	0.2
131.08525	0.3
133.10109	0.3
146.09624	2.2
154.15880	18.9
157.13322	11.2
167.11777	0.2
185.12819	11.9
188.14305	7.1
191.11696	0.7
199.18013	15.3
209.16415	0.7
216.02873	0.2
219.11244	1.1
225.19563	5.9
227.17493	11.3
233.16434	15.9
235.18019	0.3
237.15839	0.3
243.14835	0.3
253.19058	5.8
259.17975	2.0
261.15912	11.6
267.24243	6.4
277.22620	0.2
280.20386	0.3
287.17548	1.8
295.23740	3.2
298.21185	5.7
301.22672	5.7
311.21228	0.3
329.22137	3.7
332.19583	4.3
333.62888	0.2
334.39813	0.2
340.25732	1.2
356.23175	0.3
366.27393	2.0
374.24307	2.6
383.29831	0.7
400.25717	2.0
408.32108	0.2
411.29565	2.0
417.28271	0.9
425.34457	0.3
442.30493	1.5
445.28137	2.0
453.33823	0.2
459.33014	0.7
479.35782	0.8
487.32870	1.3
513.34448	1.6
513.41125	0.2
524.37683	2.7
530.36523	1.1
555.38727	0.3
558.28290	0.3
558.36395	4.6
568.33673	0.2
592.43506	0.7
600.40411	1.0
626.42670	2.5
637.45892	1.2
643.45587	2.6
653.43872	0.3
671.44720	9.9
681.41595	0.3
739.50818	1.7
756.41663	0.2
756.53735	4.9
766.51691	1.4
784.53137	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	781.4349
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	1.9
58.08640	1.7
59.93415	2.4
61.02911	9.2
67.05492	14.0
69.03422	2.9
69.07060	2.3
73.02906	2.8
79.05487	8.2
81.03388	1.8
81.07043	10.2
85.02881	9.4
91.05489	2.6
91.87368	2.1
93.07044	8.3
95.08608	4.0
97.02886	9.8
101.02351	3.2
105.06995	4.2
107.08586	4.2
109.10173	4.6
112.03947	1.9
119.08512	2.8
121.10143	3.3
127.03902	3.2
135.11726	2.8
195.09915	2.5
357.04565	2.3
413.17462	3.9
453.96152	2.0
519.28973	11.4
541.49139	2.0
691.40253	100.0
781.42865	22.8
798.13751	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	783.2156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	3.4
57.03431	4.2
61.02909	4.6
65.38642	0.2
69.03413	14.7
69.59890	0.2
71.01321	0.2
71.04973	1.6
73.02903	3.2
81.03392	2.8
85.02885	77.3
86.03221	0.3
86.80246	0.2
87.04441	1.5
91.03926	2.7
97.02869	31.2
98.98441	100.0
99.04427	5.2
101.02341	1.7
103.03924	0.3
106.16792	0.2
109.02861	7.9
109.03602	0.3
115.03902	1.9
116.99473	5.2
127.03888	39.9
133.04927	0.2
145.04933	35.6
146.05287	0.3
163.05978	12.9
195.00563	0.9
196.15498	0.2
199.79138	0.2
225.01529	5.4
259.08127	0.5
261.03641	34.3
279.04694	18.1
280.04895	0.3
289.09210	1.8
307.10138	0.3
325.11185	6.1
343.12234	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	780.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	27.4
57.03432	4.4
57.07072	50.9
67.05186	5.1
67.05499	72.0
69.07047	23.6
71.04947	4.4
71.07430	3.6
71.08617	57.4
79.05482	30.1
81.03399	15.9
81.07034	56.7
82.06557	7.1
83.08606	22.0
85.10174	9.9
86.09692	19.5
91.05436	28.7
93.07043	29.0
94.06539	3.8
95.04943	15.7
95.08581	45.6
97.06509	6.7
97.10155	8.2
105.07027	16.9
107.08575	8.2
109.10137	35.9
119.08554	6.1
120.16134	4.2
124.99998	17.6
131.08575	5.1
133.10043	6.5
135.11708	5.6
141.13922	3.7
147.11731	4.7
159.11716	5.0
177.12708	8.2
184.07301	44.4
202.07106	4.0
220.16872	34.9
238.17981	6.6
267.15918	6.8
313.27432	17.6
318.14642	6.7
327.28824	5.4
374.17145	4.9
392.18185	8.7
467.36972	58.0
519.40100	8.3
521.42053	21.9
571.46307	10.8
589.48175	69.2
630.41217	100.0
664.78235	4.8
712.48566	16.2
730.49457	4.6
732.72571	4.8
746.08105	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	780.5532
Annotation	Unknow
Peak:m/z	Relative Intensity
55.24258	0.2
56.05019	0.4
58.06593	0.3
60.08152	8.4
60.68451	0.2
67.05515	0.3
70.12411	0.2
71.07353	4.7
81.07031	0.3
86.09689	48.8
92.08683	0.3
98.98446	4.8
104.10715	3.1
113.98763	0.2
124.99979	36.1
136.14453	0.3
143.01001	0.4
167.34692	0.2
184.07303	100.0
185.07713	0.4
261.97256	0.2
279.99896	0.2
360.03094	0.2
555.26715	0.3
589.20648	0.3
780.43475	0.3
780.55389	5.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05499	2.2
57.03437	2.1
58.64885	0.2
59.16774	0.2
61.02908	5.9
67.05489	3.9
69.03405	3.4
69.07057	2.4
71.01334	0.3
71.04980	0.5
73.02892	3.6
75.04463	0.3
76.56497	0.4
79.05463	3.5
81.03391	3.4
81.07041	8.9
81.27042	0.3
83.04977	0.7
83.08620	1.1
85.02888	6.0
85.06519	0.3
86.09701	0.6
91.03934	2.2
91.05473	3.9
93.07010	2.9
95.04952	1.6
95.08581	2.9
97.02867	4.5
97.06535	0.5
97.10159	0.3
98.36100	0.3
99.04441	0.7
101.02374	1.6
103.03943	0.3
105.07008	3.5
107.04965	0.7
107.08575	1.8
109.02859	0.4
109.06510	1.3
109.10121	1.2
111.08067	0.6
117.06997	0.6
119.08562	2.8
121.10153	1.7
123.08102	0.4
123.11726	1.3
125.00037	0.3
127.03933	1.2
129.07014	0.4
131.08568	1.8
133.10127	1.6
135.11629	0.5
137.09679	0.4
145.10138	0.5
147.11678	2.5
147.15009	0.3
149.09653	0.5
157.10136	0.7
159.11742	0.4
163.11232	0.4
165.12775	0.4
175.11177	0.5
184.07243	0.7
185.04187	0.4
193.12239	0.5
243.08371	3.9
251.12567	0.6
275.19897	0.5
293.69131	0.3
303.19199	0.4
333.20361	2.9
377.08157	0.3
389.22910	0.5
405.55341	0.3
423.19821	1.2
425.21576	0.4
469.20389	6.9
484.95743	0.4
551.28040	7.9
555.45050	0.3
648.73254	0.5
651.33844	0.5
779.41687	100.0
780.41980	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	1.1
55.05506	2.9
55.87043	0.2
57.03431	2.4
60.12217	0.2
61.02919	5.1
63.26386	0.2
65.88920	0.2
66.00111	0.2
67.05497	4.4
69.03416	3.2
69.07055	2.1
69.07353	0.2
71.01340	0.3
71.04983	0.5
73.02904	3.2
76.01205	0.2
79.05477	4.3
81.03396	3.6
81.03799	0.2
81.07041	4.0
83.04972	1.7
83.08604	2.4
85.02894	5.5
86.09704	1.8
91.03934	2.6
91.05463	5.1
91.05995	0.3
93.07013	3.6
93.47674	0.3
95.04944	4.3
95.08581	2.0
97.02873	4.5
97.06540	0.5
97.10127	0.9
99.04421	1.9
101.02374	2.3
103.03967	0.4
105.07008	3.3
107.04945	1.1
107.08578	2.9
109.02866	0.6
109.06501	1.1
109.10166	1.2
111.04424	1.6
111.08085	1.0
117.07003	0.4
119.08586	1.8
121.06465	0.4
121.10124	1.7
123.08079	0.4
123.11710	0.3
125.00017	0.9
125.09650	0.4
127.03925	1.4
129.07005	1.2
131.08572	1.4
133.10097	1.7
135.11707	1.0
145.10173	1.2
147.11691	1.2
149.09656	1.5
157.10114	0.8
159.11742	0.3
161.09566	0.2
163.11189	1.5
175.11290	0.4
184.07349	2.9
185.04237	0.3
193.12311	1.0
203.05278	0.4
207.13527	0.3
211.13292	0.5
223.13240	0.3
241.06886	0.3
243.08360	3.5
251.12592	1.2
275.20090	1.1
285.17020	0.2
303.19415	0.3
307.15201	0.3
333.20444	2.3
389.23065	1.1
469.20355	7.1
551.28210	9.6
579.86804	0.3
735.82831	0.3
779.41718	100.0
780.42322	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	779.4184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.6
56.89621	1.2
57.03434	2.0
61.02927	3.4
67.05494	5.5
68.00227	1.3
69.03423	6.0
69.07037	1.9
71.04955	1.5
73.02889	3.1
79.05496	3.5
81.03383	6.1
81.07026	3.8
84.77613	1.4
85.02901	5.8
86.09716	1.5
91.03926	2.7
91.05475	6.2
93.07035	9.4
93.30273	1.5
95.04958	3.0
95.08585	2.9
97.02862	2.1
97.06583	1.4
101.02380	2.1
105.07022	2.8
107.08615	2.3
109.06571	1.6
109.10152	2.5
117.07011	1.7
119.08551	1.8
121.10107	2.0
125.00005	2.6
125.36564	1.9
133.10147	2.3
143.08551	1.8
184.07350	6.9
185.04265	6.6
201.03627	1.6
215.12259	1.5
221.15382	1.7
243.08305	2.3
301.08746	15.6
315.10486	3.6
352.24210	1.7
383.16968	1.8
385.18182	11.4
429.16986	1.9
465.21021	2.3
499.34503	2.5
525.22736	16.9
535.28680	11.2
555.32397	1.6
607.30530	3.0
693.34711	6.9
695.39917	3.7
761.39917	3.0
779.41406	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	779.4178
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81556	0.4
55.01848	0.9
55.05253	0.4
55.05502	2.6
57.03425	2.1
60.04522	1.1
61.02911	4.8
67.05497	4.8
69.03405	4.6
69.07054	1.0
71.01338	0.6
71.04977	0.7
73.02902	4.6
77.96011	0.4
79.05470	3.1
81.03395	4.2
81.07028	5.0
83.04964	1.2
83.08622	2.4
85.02879	6.0
87.04432	0.6
91.03947	2.9
91.05447	4.7
93.07030	2.6
95.04940	2.5
95.08600	2.9
97.02868	4.7
97.06515	0.5
99.04405	0.9
101.02368	2.1
105.07009	4.5
107.04961	2.1
107.08585	1.1
109.10169	1.7
111.08088	0.6
117.07023	0.7
119.08522	3.6
121.10143	0.9
123.11753	0.8
127.03835	0.7
129.06967	1.1
131.08549	0.8
133.10124	1.0
135.11720	0.6
145.10056	0.5
147.11679	1.2
149.09586	1.0
157.10059	1.0
159.11684	0.7
175.11176	0.7
184.07350	2.0
193.12216	1.7
211.13277	0.8
243.08459	3.1
248.44077	0.5
251.12642	0.6
307.15015	0.7
316.28644	0.8
333.20236	5.3
353.17911	0.4
469.20245	11.6
509.10739	0.5
551.28046	4.8
551.94348	0.6
716.88757	0.6
778.40759	2.2
779.41565	100.0
780.41760	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	779.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.8
57.03421	2.6
61.02914	5.4
61.45421	0.4
67.05498	4.2
69.03411	3.0
69.07053	1.7
69.25096	0.4
71.01332	0.5
71.04987	0.6
73.02898	3.7
79.05465	3.9
79.65356	0.3
81.03412	4.2
81.07027	5.7
83.04971	0.6
83.08627	0.8
84.91608	0.4
85.02888	5.9
91.03954	3.0
91.05457	4.0
92.09232	0.4
93.07015	3.2
95.04944	2.8
95.08607	2.4
97.02855	4.6
97.06512	0.5
97.10128	0.3
99.04484	0.6
101.02365	1.4
103.03877	0.5
105.07005	3.4
107.04948	0.7
107.08588	2.0
109.02827	0.4
109.06491	0.7
109.10156	0.7
111.08106	0.6
119.08585	1.9
121.10157	1.6
123.08083	0.4
124.43078	0.4
125.73032	0.3
127.03914	1.5
129.05458	0.4
129.06972	0.8
131.08575	1.5
133.10133	1.6
142.07803	0.4
145.10052	0.4
147.11694	3.0
149.09578	0.4
149.13306	0.3
151.77972	0.3
157.10152	1.6
163.11168	0.4
165.12718	0.4
175.11188	0.8
185.04268	0.5
193.12271	2.2
210.17923	0.3
211.13353	0.4
243.08342	4.1
251.12666	0.7
275.19962	0.5
307.15146	0.5
315.65134	0.4
333.20325	4.3
389.23108	0.8
469.20306	11.2
551.28284	4.5
587.74634	0.4
653.36194	0.6
772.07550	0.5
779.41687	100.0
780.41736	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	778.53
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	2.5
55.05502	43.4
57.03426	28.4
57.07067	26.0
67.05485	56.8
69.03435	3.6
69.07052	42.9
71.04974	3.0
71.08608	18.1
79.05469	29.7
80.47794	2.4
81.03397	100.0
81.07035	55.9
83.04964	11.1
83.08606	49.4
85.10155	6.4
91.05456	31.8
93.07030	33.2
95.04939	35.7
95.08591	42.3
97.02860	4.3
97.06496	13.9
97.10144	19.5
105.07007	25.4
107.04965	11.6
107.08571	18.5
109.06504	3.5
109.10146	29.1
111.08037	6.5
111.11681	3.9
114.64902	3.2
119.08577	19.2
121.06449	6.3
121.10109	26.8
129.06967	15.5
131.08553	13.6
133.10161	6.2
135.11681	3.7
147.07990	5.5
147.11623	11.1
149.09598	5.7
157.10120	18.6
175.11125	11.5
175.96277	2.6
184.07350	10.3
193.12257	27.8
220.17004	5.8
223.13063	2.9
229.14401	10.5
267.15833	99.8
297.16797	2.5
313.27316	12.5
339.28876	76.9
357.34909	3.4
467.37152	6.1
507.94290	2.8
528.41064	2.9
531.40320	79.5
549.41644	19.1
587.46332	6.6
630.40857	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	778.5274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.4
55.05500	41.6
57.03430	25.9
57.07067	32.2
62.90371	2.2
63.06238	2.7
64.82707	2.2
67.05492	55.3
69.03433	2.6
69.07054	50.3
71.04990	2.3
71.08614	28.6
75.40109	2.8
79.05480	40.3
80.04999	3.6
81.03397	100.0
81.07035	57.3
82.06573	3.2
82.07378	3.0
83.04936	3.1
83.08594	44.7
85.06558	3.0
85.10166	11.6
86.09673	5.0
91.05461	34.5
93.07021	36.5
93.35426	2.7
95.04944	35.0
95.08588	58.8
97.06516	11.5
97.10155	16.2
105.07017	32.9
105.47807	2.8
107.08575	22.2
108.08945	2.7
109.06515	3.5
109.10140	31.5
111.08068	6.3
111.11697	3.1
117.07000	10.4
119.08575	17.3
120.11864	2.4
121.10130	18.9
123.08103	3.4
129.06993	16.9
131.08572	14.8
133.06468	6.2
133.10112	16.1
135.11699	12.8
143.08562	2.9
145.10078	5.4
147.11691	13.0
149.09633	4.3
149.13231	5.9
157.10129	12.2
159.11743	4.0
175.11127	5.2
177.12718	4.9
184.07341	15.9
185.07758	2.7
193.12180	26.6
220.16936	16.6
267.15860	86.2
282.27844	2.9
300.13882	3.2
313.27420	19.6
339.28839	83.4
467.37100	12.4
521.41742	4.0
531.40387	74.8
549.41333	13.0
569.45465	5.5
587.46552	34.2
630.41339	44.2
700.46649	2.7
710.47314	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	778.5371
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05026	0.6
57.80615	0.1
58.06583	0.2
60.08151	8.0
60.08461	0.3
71.07356	4.5
79.05487	0.3
81.07020	0.2
85.33071	0.1
86.09686	46.0
87.10001	0.1
89.45415	0.1
92.09277	0.3
95.08599	0.2
98.98442	4.0
104.10735	2.6
106.91571	0.1
112.24534	0.1
121.72335	0.1
124.99976	33.5
135.11652	0.2
143.01024	0.7
145.10126	0.2
162.00507	0.2
184.07300	100.0
185.07655	0.8
192.15608	0.2
195.98563	0.1
387.52505	0.2
469.06940	0.2
469.85269	0.2
516.06726	0.2
778.40912	0.2
778.53711	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01883	0.3
55.05502	32.0
57.03416	0.9
57.07058	0.9
59.04979	1.7
61.02906	0.3
67.05489	2.6
69.03408	2.9
69.07050	2.3
71.04966	0.9
72.22224	0.2
79.05470	1.4
81.03407	0.3
81.07040	3.9
83.04961	18.9
83.08601	25.2
85.02887	1.9
85.06060	0.2
85.06515	1.7
91.05450	1.0
93.07023	4.0
94.35938	0.2
95.04943	2.9
95.08583	4.3
97.02865	0.8
97.06513	2.8
97.10145	4.8
98.97572	0.4
99.04422	0.5
99.08067	0.8
105.06999	2.2
107.08571	10.4
109.02839	0.4
109.06514	3.1
109.10138	13.6
111.04415	0.3
111.08055	6.0
112.08846	0.3
113.09601	1.3
113.80193	0.2
119.08595	1.4
121.10114	7.2
123.08083	0.3
123.11675	5.8
125.09601	7.0
127.03873	0.8
131.08556	1.0
133.02831	3.8
133.10104	5.2
135.04407	0.3
135.08022	0.4
135.11659	1.0
137.05951	0.8
137.09583	0.3
139.11136	0.4
145.10107	0.5
147.04405	0.4
147.11649	0.8
149.05887	0.3
149.13240	4.4
151.11156	35.0
152.11493	0.3
153.01826	0.2
153.09059	1.6
163.03821	1.0
163.14781	1.0
165.05428	0.8
167.14278	44.6
168.14630	0.2
173.13237	3.3
178.02602	1.5
191.14265	3.2
193.04927	40.7
203.07423	0.2
209.15327	100.0
210.15660	1.4
227.16411	1.2
237.02650	0.3
265.10959	1.0
283.12076	0.4
355.10092	2.7
371.16452	0.4
371.20651	0.9
426.19794	1.2
426.69843	1.0
444.81027	0.3
788.56018	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	0.6
65.03939	0.1
65.73107	0.1
67.01843	0.9
68.99762	0.7
69.03399	0.6
71.04974	0.8
71.26548	0.1
81.03394	29.8
82.40641	0.1
85.02859	0.3
89.19939	0.1
91.05449	3.2
92.09308	0.5
95.04927	0.8
97.02865	2.5
99.04426	12.5
109.02855	100.0
119.04910	11.7
121.89863	0.2
123.04416	1.1
127.03883	21.5
141.05392	0.6
147.04379	42.6
152.05296	0.1
169.04915	90.1
170.05232	0.7
207.06557	0.2
211.05968	28.0
212.06279	0.2
271.08008	0.2
289.09097	10.5
406.94031	0.1
437.11951	0.9
455.13104	2.1
604.99036	0.2
681.04694	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	778.349
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01839	0.2
55.05503	10.2
55.36257	0.1
56.05832	0.4
57.03424	0.4
57.07054	0.4
59.04976	0.3
60.34206	0.1
61.02929	0.2
67.05487	1.4
69.03407	1.6
69.07071	1.3
71.04966	0.8
73.02905	0.2
79.05488	0.7
81.03384	0.3
81.07030	2.8
83.04964	6.8
83.08604	8.8
84.05328	0.3
84.08940	0.7
85.02895	1.6
85.06519	0.8
91.05447	1.0
93.07034	2.3
95.04948	3.3
95.08588	2.3
97.02847	0.3
97.06503	2.3
97.10153	1.5
98.97562	0.2
99.04406	0.8
99.08076	0.4
105.07018	1.8
107.08581	6.3
109.02840	0.3
109.06498	3.8
109.10142	6.3
110.10427	0.2
111.04408	0.2
111.08052	2.2
113.05944	0.2
113.09610	0.4
115.07546	0.3
119.08556	0.9
121.06488	0.2
121.10113	5.5
122.10513	0.2
123.08048	0.8
123.11665	2.6
125.09605	2.9
127.03895	0.7
131.08542	1.6
133.02831	10.0
133.10095	5.9
134.10445	0.2
135.04395	0.3
135.08015	0.9
135.11638	1.7
137.05975	1.7
139.11168	0.3
145.10077	0.9
147.11694	1.9
149.05945	0.9
149.13220	2.9
151.03868	0.2
151.11162	11.3
152.11501	1.4
152.40887	0.2
153.09099	1.6
153.63342	0.2
158.10887	0.7
161.02303	0.2
163.03862	1.0
163.14795	0.9
165.05431	2.0
167.14279	14.3
168.14603	2.0
173.13229	3.2
178.02577	4.3
191.14265	3.9
193.04929	100.0
194.05247	1.5
197.08112	0.2
209.15332	38.0
210.15691	5.7
227.16382	3.5
315.37592	0.2
355.10159	6.4
371.20599	0.3
524.44501	0.2
762.96240	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4026
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	1.6
55.05512	3.0
57.03430	3.3
61.02905	5.7
62.25396	0.3
65.03931	0.4
67.05493	6.4
69.03416	3.7
69.07046	2.6
71.01361	0.5
71.04954	0.5
71.27136	0.4
71.89793	0.4
72.57033	0.4
73.02896	4.0
79.05460	6.1
80.05782	0.4
81.03391	5.5
81.07040	7.2
83.04932	1.6
83.08594	3.0
85.02879	7.5
86.09666	0.5
91.03885	1.5
91.05453	7.8
93.07008	5.9
94.07411	0.5
95.04941	3.7
95.08595	4.5
97.02863	4.8
97.06516	0.8
99.04451	0.6
101.02351	1.0
105.07029	6.0
107.04924	2.5
107.08569	3.2
109.06534	1.5
109.10134	2.1
111.08086	1.5
117.06999	1.7
119.08573	4.6
120.08871	0.4
121.10132	1.9
124.99987	0.7
127.03873	0.9
129.05489	0.7
129.07018	1.8
131.08556	2.0
133.10100	4.3
134.10480	0.6
135.08049	0.4
135.11649	0.6
141.08966	0.5
142.07773	0.7
142.89737	0.4
143.08583	0.8
145.10127	1.8
147.07962	0.6
147.11624	3.1
149.09576	1.7
149.13298	0.5
157.10074	1.7
157.59927	0.4
159.11708	0.5
161.13206	0.4
163.11139	0.6
175.11162	0.9
183.11653	0.5
184.07362	2.0
188.96312	0.4
193.12244	2.8
203.43546	0.5
211.13234	0.5
230.82550	0.5
243.08420	3.4
285.16788	0.5
313.17752	0.5
331.18768	2.8
451.18613	0.4
469.20306	8.5
513.63940	0.5
531.25690	0.6
541.22406	0.6
551.28186	1.0
588.13605	0.4
759.38806	4.7
777.39972	100.0
778.40228	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	777.4027
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81522	0.5
55.01863	2.6
55.05505	6.2
57.03427	4.8
61.02912	5.3
64.33138	0.5
66.19614	0.5
67.05489	9.9
69.03411	4.1
69.07050	4.4
69.71111	0.4
71.04970	2.6
73.02905	4.6
78.65609	0.4
79.05475	10.2
81.03398	8.7
81.07040	12.4
83.04956	3.5
83.08603	4.1
85.02895	8.5
85.06521	0.9
86.09709	2.1
87.04485	0.5
91.03951	2.3
91.05454	8.5
93.07020	7.3
94.07360	0.7
95.04952	4.7
95.08578	6.2
97.02885	5.2
97.06519	0.9
97.10152	0.6
99.04455	0.6
101.02360	2.3
105.07014	6.7
107.04947	2.8
107.08579	4.9
109.02902	0.6
109.06516	2.1
109.10144	4.0
111.04430	0.6
111.08074	1.9
117.06994	1.1
119.08581	4.8
120.08978	0.5
121.06479	0.9
121.10116	2.6
123.08085	0.8
124.99995	1.2
125.09597	0.6
127.03888	0.6
129.06987	0.7
131.04912	1.9
131.08522	3.5
132.08913	0.6
133.10097	5.7
135.11696	2.8
136.41261	0.6
137.09708	0.6
141.45023	0.5
145.10123	2.5
147.11688	3.0
148.12094	0.5
151.11208	1.0
157.10168	2.0
163.11203	3.1
165.12737	0.5
167.08318	0.5
169.10643	0.5
184.07304	3.9
193.12242	2.2
203.05289	0.6
211.13303	0.9
243.08334	4.4
249.11002	1.9
255.10091	1.1
267.15717	0.9
285.17068	2.1
331.18973	0.7
333.20419	1.1
351.25079	0.8
467.18848	5.3
469.20331	6.0
522.34393	0.6
543.37054	1.0
544.37164	1.0
549.26703	3.7
551.28241	2.5
561.38025	1.2
562.38177	2.1
579.38501	0.6
777.40155	100.0
778.40540	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	777.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
54.93317	0.7
55.01865	1.8
55.05509	8.4
57.03431	4.3
57.07069	1.7
60.08147	2.1
61.02916	7.0
67.05492	18.9
69.03423	4.4
69.07066	5.1
71.04971	4.6
71.07349	1.3
72.40321	0.7
73.02902	5.1
79.05479	16.0
81.03395	7.6
81.07042	20.0
82.03725	0.8
83.04972	4.2
83.08607	4.9
85.02885	7.1
85.06528	1.4
85.10182	2.1
86.09690	17.1
87.10056	1.1
91.03950	1.7
91.05459	13.1
92.05821	1.4
93.07017	13.8
94.07346	0.9
95.04940	6.7
95.08589	9.4
97.02870	6.4
97.06527	4.4
98.98489	1.3
99.04449	1.0
101.02367	1.5
101.56522	0.9
104.10752	1.8
104.45553	0.8
105.07015	10.4
106.07391	1.1
107.04933	1.9
107.08584	7.7
109.06531	5.2
109.10167	7.8
111.08072	1.7
113.09604	1.8
114.89104	0.8
117.06986	1.9
119.00532	0.9
119.08569	8.8
121.06497	1.0
121.10143	4.8
123.08032	1.8
124.99985	12.3
125.09615	0.9
127.03896	1.1
129.07040	3.3
131.08617	3.8
133.06577	0.8
133.10139	5.1
135.11693	3.3
143.08556	1.0
145.10138	5.3
147.11682	5.2
149.09605	2.0
149.13272	1.0
155.08582	1.1
157.10138	2.0
159.11716	3.6
161.13185	0.9
163.11201	2.1
165.12776	3.5
175.11246	1.1
184.07297	36.8
185.07663	1.7
193.12279	1.1
211.13266	1.9
215.30476	0.9
243.08459	4.8
267.15952	1.1
274.18903	1.0
275.20053	1.1
285.17026	1.6
305.13660	0.9
333.20340	3.2
346.95529	0.9
351.25519	1.4
380.47446	0.8
389.22485	1.3
467.18951	9.1
543.36798	1.4
544.37408	3.8
551.28156	8.6
561.38086	1.8
562.38214	1.8
580.39075	1.7
696.07990	1.0
727.43854	3.1
777.40076	100.0
778.40570	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	777.3866
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	1.0
57.03421	2.7
59.04981	1.5
60.39196	1.2
61.02909	8.5
61.43758	1.1
63.05158	1.1
67.05484	10.4
69.03384	5.6
71.04953	1.9
73.02885	6.0
73.98401	1.1
79.05478	6.1
81.03397	7.5
81.07024	7.4
83.08566	1.6
85.02879	8.5
86.09713	1.4
91.03915	5.3
91.05452	2.0
93.07012	5.2
95.04936	2.9
95.08585	1.4
97.02879	9.0
101.02367	2.6
105.07014	2.7
107.04932	1.9
108.96072	1.2
109.10111	11.6
119.08547	1.9
121.10085	2.8
131.08560	1.5
133.10098	1.6
147.11703	1.4
149.09676	1.5
157.10097	2.2
181.99919	1.2
184.07269	2.2
193.12253	1.4
195.09853	1.8
203.44206	1.3
211.84425	1.3
229.14310	1.7
241.12610	1.4
243.08545	2.0
283.15125	8.5
339.17419	1.5
362.36923	1.4
413.17764	24.6
437.16833	1.4
501.23026	22.4
673.34125	100.0
674.33386	2.0
777.38641	25.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	777.4024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	2.2
55.05497	6.0
57.03419	1.3
57.07056	1.5
58.72523	1.1
61.02911	7.1
66.77744	1.1
67.05482	7.9
69.03410	2.8
69.76738	1.1
73.02899	2.6
79.05485	7.9
81.03401	2.1
81.07052	8.0
85.02886	7.5
86.09692	1.5
91.03956	4.5
91.05463	10.1
93.07030	7.7
95.04963	2.4
95.08572	5.0
97.02901	5.2
105.07021	6.2
107.04964	1.6
107.08598	5.2
109.10113	1.3
117.06995	2.0
119.08569	5.1
121.10110	2.1
121.95977	1.4
127.03864	2.0
133.10101	2.2
135.11688	1.2
138.77754	1.2
147.11725	2.1
185.04181	2.1
243.08453	5.7
301.08905	10.1
315.10452	1.8
315.19247	8.8
371.16849	5.2
373.10873	5.7
383.16855	1.5
385.18295	6.9
413.22867	2.9
469.19986	1.7
495.21960	3.0
497.31873	1.9
533.27185	2.7
537.27240	1.3
565.29077	1.7
605.29187	3.0
619.31458	1.8
675.36493	2.5
676.37585	5.1
759.38751	1.9
776.42542	9.3
777.40155	100.0
778.39795	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	777.4017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	2.2
55.05507	3.7
57.03424	3.7
57.07042	0.5
59.32700	0.4
59.93889	0.4
61.02915	6.0
61.19751	0.4
62.57018	0.4
67.05486	9.8
68.05822	0.7
69.03401	4.7
69.07042	3.3
71.04980	2.1
71.65718	0.4
73.02902	4.9
73.40510	0.4
79.05469	9.0
81.03403	6.2
81.07034	9.9
81.68489	0.4
83.01340	0.5
83.04972	3.1
83.08620	2.0
85.02880	8.0
85.06523	0.7
86.09711	0.8
91.03931	3.6
91.05456	7.6
93.07011	7.6
94.07344	0.5
95.04945	4.8
95.08583	4.2
97.02872	6.7
97.06538	0.8
97.10149	0.8
98.97587	2.0
99.04415	0.8
101.02379	2.3
103.03919	0.4
105.06995	5.1
107.04935	0.9
107.08565	5.7
109.02885	0.8
109.06529	0.8
109.10124	3.7
110.97542	0.4
111.04437	0.5
111.08031	0.6
116.98619	0.8
117.07001	1.1
119.08558	4.7
121.06459	0.5
121.10112	3.3
123.08065	1.1
123.11706	0.8
124.99998	0.6
125.09698	0.5
127.03887	1.0
128.60527	0.4
129.06999	0.9
131.08577	2.7
133.10112	3.5
135.11681	3.5
137.09674	0.8
145.10100	3.2
147.11705	2.6
149.01256	1.7
149.09657	2.0
151.11189	0.8
157.10075	0.8
159.11699	0.6
163.11159	2.4
177.00713	0.6
184.07303	3.9
185.04222	0.6
189.00754	0.9
193.12268	1.8
201.88335	0.5
209.11653	0.5
243.08333	3.4
257.12329	0.9
279.03931	0.6
283.15488	0.6
285.16843	0.6
322.05069	0.5
331.18768	0.9
349.18533	0.7
451.18933	0.5
467.19019	4.8
469.20154	5.0
549.26685	1.8
551.28284	2.5
579.38623	0.5
717.32916	0.7
777.40082	100.0
778.40173	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	776.4782
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81861	1.4
55.01860	9.9
55.05266	2.1
55.05507	41.2
56.96561	1.5
57.03423	27.1
57.07065	22.7
59.04966	1.5
60.08144	7.1
61.02902	6.0
61.94765	1.3
62.51007	1.4
65.03918	2.4
66.82642	1.3
67.05488	81.8
69.03409	9.2
69.07053	33.3
70.66403	1.4
71.04968	14.1
71.07365	2.3
71.08608	6.8
73.02891	1.8
79.05473	64.2
80.05789	1.9
81.03399	89.7
81.07037	100.0
83.04971	33.4
83.08601	38.1
85.02887	31.8
85.06535	8.1
85.10162	40.2
86.09689	33.9
91.05460	84.5
92.05775	2.0
92.09322	5.9
93.07018	68.0
94.07381	2.1
95.04942	58.8
95.08581	47.2
97.02866	7.2
97.06516	15.0
97.10145	16.2
98.98417	2.2
99.04436	1.6
99.08074	3.3
105.04498	1.8
105.07011	76.0
106.07319	1.7
107.04936	26.1
107.08575	38.0
108.05293	1.7
109.06478	15.8
109.10141	31.6
111.04464	2.4
111.08067	16.8
113.05986	3.0
113.09631	31.7
115.05419	2.3
117.07020	9.9
119.04943	1.9
119.08555	46.0
121.06468	2.7
121.10120	30.5
123.08080	11.6
123.11706	6.9
124.99983	21.1
125.09599	8.4
127.69162	1.4
129.06960	25.0
131.08551	26.6
133.06464	3.6
133.10107	33.1
135.08047	5.9
135.11702	11.5
137.09608	3.6
142.07762	6.6
143.08501	5.5
145.10051	13.6
147.08043	3.0
147.11655	30.4
149.09590	21.3
149.13261	6.4
151.11188	10.7
157.10092	23.7
159.11667	7.4
161.13237	7.7
163.11185	10.0
165.12721	55.6
171.11618	6.4
173.11777	1.9
173.13283	5.8
175.11134	19.0
175.14774	1.7
179.14381	1.8
181.12158	2.8
184.07301	77.0
185.13234	5.3
193.12195	40.0
207.13779	2.7
210.22281	1.5
211.13264	40.0
231.20863	2.0
259.20514	6.1
267.15839	27.9
277.21555	52.0
285.16898	51.4
295.22635	88.9
318.04535	1.8
333.24368	1.7
333.73312	1.5
347.78973	1.5
351.25226	30.6
369.26312	39.2
461.28989	3.1
479.30063	11.9
506.20987	1.6
525.35632	2.9
530.87732	2.0
542.35724	3.3
543.36639	42.9
561.37714	64.4
578.36829	1.9
579.38733	85.8
650.29230	1.8
708.41895	7.7
776.39276	7.3
777.39966	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	776.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.5
55.05302	2.5
55.05509	40.2
55.64351	2.4
57.03437	23.5
57.07069	5.3
67.05145	3.8
67.05495	85.0
69.07059	40.3
71.04984	5.9
74.90084	2.7
79.05486	45.2
81.03403	97.0
81.07042	100.0
83.04967	15.8
83.08607	38.1
86.09695	10.6
91.05465	59.7
93.07027	79.1
95.04945	43.6
95.08583	71.1
97.02858	3.8
97.06535	6.0
97.10119	14.0
99.04400	2.7
103.13057	2.3
105.07011	62.6
107.04989	6.5
107.08590	44.0
109.06499	6.2
109.10145	34.2
111.08055	13.4
117.06995	10.6
119.08572	46.0
121.06500	6.6
121.10106	31.3
123.08084	6.0
123.11700	5.9
124.63593	2.7
125.00017	4.4
125.09592	4.4
129.06989	17.8
131.08527	28.2
133.06413	4.0
133.10121	28.3
133.11021	2.6
135.08041	3.5
135.11697	6.2
137.09685	2.5
137.13213	3.3
141.06987	3.1
142.07764	9.6
143.08557	6.0
145.10083	16.3
147.08070	2.9
147.11694	21.9
149.09599	10.4
157.10135	19.5
159.11623	6.0
161.13187	5.6
163.11185	3.4
163.14789	4.0
173.13190	5.3
175.11177	13.9
175.14774	3.5
184.07228	20.9
193.12215	24.0
202.19839	2.5
263.23776	3.2
263.57162	2.9
267.15857	73.4
337.27283	71.4
424.18317	3.6
449.67963	3.0
529.38666	75.9
543.53735	3.1
547.39795	48.7
561.41614	4.3
776.41473	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	776.4784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	5.5
55.05503	46.7
57.03428	18.2
57.07067	2.2
59.04986	1.6
61.02906	3.0
65.03912	2.0
67.05490	100.0
69.03401	2.2
69.07047	19.7
71.04972	5.0
73.02895	1.3
79.05471	52.1
80.36154	1.0
81.03397	4.9
81.07033	69.7
83.04949	6.1
83.08606	15.4
85.02880	11.4
85.06522	1.7
86.09695	1.3
87.04451	5.1
91.05453	32.4
93.07025	46.6
95.04940	10.6
95.08586	40.9
97.02862	2.7
97.06493	5.4
97.10126	13.3
99.44533	1.3
101.21323	1.1
105.07008	24.7
107.05019	1.2
107.08583	34.9
108.08926	1.2
109.06513	2.9
109.10139	42.7
109.10847	1.8
111.08078	1.4
117.07010	8.8
119.08570	18.2
121.06457	1.7
121.10114	19.2
123.08056	2.2
123.11660	2.2
124.99972	2.3
125.09605	12.4
129.06981	1.6
131.08559	14.9
132.08852	1.6
133.10109	15.2
135.11670	12.7
137.09578	2.1
143.08597	2.1
143.10693	2.0
145.10077	13.5
147.11691	8.2
149.09627	2.3
149.13242	5.3
155.08510	1.8
156.09496	1.4
157.10114	2.4
159.11646	6.6
161.13239	4.2
163.11116	3.0
173.11694	5.3
173.13223	4.6
181.09984	1.3
184.07309	2.7
191.10880	1.2
197.13167	1.7
209.11665	1.5
227.12775	2.1
229.14276	20.1
243.20906	1.4
261.22052	7.4
267.15857	1.6
275.19537	1.5
301.16370	10.9
335.25702	41.7
477.35590	8.1
489.35681	8.3
525.04980	1.3
543.36572	2.6
561.37915	10.6
579.38470	5.0
759.81213	1.3
772.02051	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	776.4777
Annotation	Unknow
Peak:m/z	Relative Intensity
54.31289	1.4
55.01863	8.4
55.05506	58.9
57.03431	16.1
57.07064	3.7
59.05001	2.0
61.02911	6.8
65.03934	2.5
66.97015	1.2
67.04044	1.3
67.05136	3.3
67.05492	100.0
69.03415	7.2
69.07056	20.9
71.04967	3.1
73.02918	2.2
79.05473	58.5
81.03393	6.3
81.07038	75.2
83.04956	13.3
83.08602	16.6
85.02886	14.9
85.06532	6.4
86.09677	2.0
87.04478	3.0
91.05460	52.4
93.07023	74.9
95.04955	16.3
95.08587	52.0
97.02875	2.5
97.06511	9.6
97.10148	11.0
103.05426	1.6
105.06366	2.2
105.07019	48.3
107.04940	2.2
107.08566	44.3
109.06515	9.7
109.10137	40.0
109.10851	2.1
111.08068	3.1
113.60748	1.5
115.05477	1.6
117.07014	10.3
119.08559	28.0
121.10130	21.4
123.08041	4.0
123.11678	3.4
125.09621	12.9
128.06158	2.5
129.07016	3.2
131.08537	20.2
133.10106	17.9
135.11633	12.2
137.09587	2.9
141.06964	1.9
142.07800	2.8
143.08551	9.1
144.09254	2.1
145.10092	17.1
147.11639	13.1
149.09618	2.5
149.13239	3.0
155.08548	3.3
157.10100	9.7
159.11620	12.7
161.13251	6.9
163.11145	2.9
163.14761	1.9
169.10130	2.1
171.11656	3.7
173.11790	3.8
173.13248	6.6
175.11165	2.0
183.11700	2.2
184.07269	2.9
185.13284	2.7
195.11650	2.2
199.13237	3.3
199.14867	2.0
201.16316	1.7
227.12698	2.4
229.14276	20.5
261.22144	7.8
301.16461	7.8
305.98239	1.6
318.85233	1.6
335.25745	32.0
357.58722	1.8
465.20782	2.7
466.21463	1.9
477.35306	3.6
479.74289	1.9
489.35593	11.5
561.37787	3.9
689.34595	6.0
690.35693	13.1
776.42108	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	775.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.5
55.05505	5.8
57.03426	2.9
61.02909	4.7
65.03941	0.7
67.05486	13.0
69.03428	3.5
69.07054	5.0
71.04971	0.7
73.02890	4.4
75.68409	0.7
79.05474	12.3
81.03412	5.5
81.07027	12.4
82.07391	0.6
83.04967	2.8
83.08590	2.4
85.02897	4.9
85.06524	0.9
86.09717	0.8
91.03944	2.9
91.05455	11.1
92.05791	0.6
93.07021	9.5
95.04944	4.8
95.08606	5.5
97.02883	4.8
97.06512	2.4
97.10160	1.0
99.04419	1.2
101.02369	0.7
105.07010	7.7
107.04922	0.9
107.08567	7.3
109.06511	2.6
109.10146	3.0
111.08073	0.8
117.07030	2.5
119.08549	6.1
121.06503	0.7
121.10162	2.6
127.03928	1.0
129.07031	1.5
131.08559	2.7
133.10080	4.6
135.11708	1.4
145.10126	2.4
147.11703	2.6
149.09723	0.8
149.13271	0.7
156.09006	0.7
157.10204	0.7
159.11670	1.1
171.11682	1.4
184.07405	0.9
193.12314	0.8
243.08434	4.3
247.13190	1.0
283.15436	0.8
333.20184	2.2
465.20853	11.5
542.35834	0.7
551.28021	5.9
768.77765	0.8
775.42169	100.0
776.42792	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	775.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	1.5
55.05501	8.3
57.03428	7.1
61.02920	8.4
67.05488	18.1
69.03409	5.4
69.07058	7.4
71.04994	1.8
73.02888	7.0
79.05466	16.4
80.05817	1.2
81.03394	6.2
81.07036	21.2
81.07474	1.1
81.70863	0.6
83.04963	3.8
83.08617	1.7
83.24211	0.7
85.02898	8.7
91.03945	3.0
91.05465	13.3
93.07022	15.2
95.04973	4.8
95.08570	8.4
97.02857	8.9
97.06522	1.8
99.04434	0.9
99.08044	0.7
101.02382	1.0
105.07006	11.4
107.04951	1.5
107.08570	8.5
108.08958	1.0
109.02912	1.0
109.06531	2.8
109.10165	4.6
117.07005	1.4
119.08560	7.9
121.06532	1.8
121.10130	3.4
123.08069	1.3
127.03874	1.6
129.05482	1.2
129.07033	1.2
131.08612	3.5
133.10153	5.8
135.11725	1.9
143.08585	1.0
145.10146	3.9
147.11755	4.5
149.13326	1.1
157.10141	1.6
159.11710	3.5
161.13271	1.4
163.11179	3.2
185.13251	1.2
193.12300	1.1
194.40327	0.7
243.08456	4.3
269.17685	1.3
275.19955	1.0
285.16934	0.8
301.16586	1.0
465.21024	4.7
467.19067	3.0
549.26593	1.3
551.28375	3.7
757.37671	3.8
771.55945	1.0
775.41235	100.0
776.40503	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	775.4228
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.2
55.05500	18.5
57.03437	8.7
57.06793	1.4
57.07077	2.2
61.02915	7.1
63.51654	1.4
65.03916	1.7
67.05488	36.6
68.05821	3.6
69.03420	11.2
69.07047	12.5
71.05001	1.8
71.08604	1.8
73.02911	3.6
77.44949	1.4
79.05470	29.5
80.05834	2.2
81.03411	10.1
81.07036	37.6
81.07462	1.9
82.07379	1.7
83.04975	12.4
83.08620	8.4
83.34539	1.6
85.02889	12.6
91.03950	2.3
91.05451	25.7
92.05800	1.8
93.07013	32.0
94.07362	2.5
95.04940	13.6
95.08581	19.8
96.08957	1.6
97.02888	6.8
97.06511	3.9
97.10164	2.4
105.07021	28.3
106.07354	2.4
107.04980	2.1
107.08598	18.7
109.06527	4.0
109.10169	10.9
111.04472	1.7
112.37945	1.7
117.07017	8.4
119.08562	18.4
121.06506	2.2
121.10156	10.5
123.28526	1.7
125.09621	3.0
129.05498	3.6
129.07025	2.9
131.08562	13.6
133.10057	12.3
135.08066	3.1
135.11720	3.9
143.08611	6.7
145.10139	9.9
147.11603	11.8
149.09647	6.4
149.13293	2.5
149.46202	1.4
155.08577	2.3
157.10156	6.3
159.11629	6.2
161.13295	2.5
169.10031	1.9
171.11661	3.8
185.13255	2.1
187.16504	1.7
243.08284	2.2
269.17587	2.7
301.16486	2.4
333.20676	1.7
351.25372	2.2
366.23312	1.6
465.21036	9.3
551.28339	3.1
555.24420	1.8
577.37421	2.4
578.37805	2.5
670.79608	1.9
775.42297	100.0
776.41272	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	775.3872
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	4.3
55.05502	7.4
56.05834	0.8
57.03426	5.2
61.02915	9.1
62.62827	0.8
63.35550	0.8
67.05489	13.5
68.47355	1.0
69.03422	6.0
69.07054	9.0
71.04980	1.7
72.55351	0.8
73.02874	6.3
76.56253	0.9
79.05467	14.3
81.03401	4.9
81.07034	18.9
82.07370	1.3
83.04965	3.9
83.08617	2.1
85.02885	8.6
85.06508	0.8
91.03955	3.3
91.05456	13.8
92.05816	1.1
93.07021	16.0
94.07388	1.1
95.04948	5.3
95.08588	8.4
97.02877	6.5
97.06502	2.1
97.10143	0.9
101.02386	2.1
103.05506	0.9
105.07016	12.6
106.07374	1.2
107.04947	1.6
107.08572	9.7
109.02864	1.3
109.06516	4.4
109.10152	3.7
117.07010	3.8
119.08557	7.3
121.06514	1.0
121.10130	3.2
123.08084	1.7
123.11674	1.1
127.03910	0.9
131.08580	5.5
133.10127	7.5
135.08044	1.3
135.11702	2.1
141.07098	0.8
143.08551	1.0
145.10141	5.1
147.11728	4.2
149.09570	2.1
151.11125	1.3
157.10123	1.0
159.11723	1.5
161.13242	1.0
163.11182	5.2
184.07310	1.6
222.67656	0.9
243.08356	3.6
269.17499	1.1
331.18634	2.0
467.18784	10.0
544.37054	1.2
677.31433	1.8
757.37158	6.2
775.38654	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	775.3869
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	5.3
55.05511	10.1
56.83332	0.9
57.03423	5.8
61.02914	6.6
67.05494	14.5
69.03417	5.7
69.07063	6.3
71.04971	1.2
73.02901	5.2
73.83499	1.2
79.05476	13.2
81.03414	5.9
81.07038	17.1
82.07375	2.4
83.04958	1.9
83.08586	2.7
85.02881	9.6
91.03935	2.5
91.05456	14.3
92.09336	1.2
93.07022	16.5
95.04950	2.8
95.08591	8.7
97.02878	7.2
97.06528	2.9
105.07012	11.2
107.04976	1.5
107.08575	8.5
108.08922	1.2
109.06435	1.3
109.10158	5.0
111.08080	1.2
117.07002	2.5
119.08585	6.6
121.06462	1.3
121.10116	2.1
123.08096	2.1
123.27485	1.0
125.09666	1.5
127.03945	1.2
131.08589	1.8
133.10132	4.7
135.11714	4.5
143.08569	1.5
145.10133	2.4
147.11671	2.6
149.09610	1.7
149.13319	1.3
157.10101	1.9
159.11690	2.2
161.13239	1.3
163.11179	5.7
171.11739	1.2
184.07336	1.5
193.12166	1.2
243.08441	6.3
269.83286	1.2
283.15433	1.5
291.19489	2.2
465.21042	5.1
467.18924	8.9
549.26379	5.1
577.36682	1.7
578.37988	2.0
580.50287	1.4
768.58978	1.2
775.38898	100.0
776.39240	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.5632
Annotation	Unknow
Peak:m/z	Relative Intensity
54.34451	0.3
55.05505	0.4
56.05023	0.5
56.08521	0.3
58.06581	0.3
60.08152	7.3
67.05501	0.3
71.07350	4.0
78.65308	0.3
80.78616	0.3
86.09688	46.1
91.05488	0.4
91.61221	0.3
92.09174	2.7
93.07033	0.4
95.08559	0.4
97.68463	0.3
98.98442	3.1
104.10741	3.3
107.08557	0.4
124.99976	31.5
184.07301	100.0
193.19046	0.3
756.55255	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	775.372
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.2
55.05494	4.1
57.03422	5.0
57.07063	1.6
61.02933	7.6
67.05482	7.0
69.03417	5.0
69.07051	1.3
71.04958	1.2
72.82063	1.1
73.02872	7.1
79.01611	1.4
79.05458	6.1
81.03400	4.4
81.07048	6.1
83.01083	4.3
83.08618	2.0
85.02887	9.4
86.09692	2.4
88.10706	0.9
91.03932	6.7
91.05460	6.5
93.07013	5.3
95.01058	1.6
95.04955	4.6
95.08604	1.8
96.01836	1.5
97.02866	8.5
97.06521	1.9
97.10151	1.4
99.04427	1.7
101.02405	2.2
105.07027	2.4
107.04952	1.4
107.08571	5.4
109.02872	1.8
109.06569	1.3
109.10138	1.6
117.06976	2.1
119.08568	3.7
121.10145	2.2
123.04257	1.1
124.99912	1.3
125.09660	1.9
127.03860	1.7
129.05463	5.6
131.08551	1.8
133.10135	1.8
135.11700	1.0
139.03671	1.3
145.04938	1.2
145.10068	1.8
149.09514	0.9
157.10121	1.3
157.61363	0.9
174.44035	1.0
178.01109	1.1
181.04745	2.2
183.51877	1.0
184.07260	7.3
185.04199	15.9
193.04741	1.3
201.03651	6.9
201.14897	1.1
202.45615	1.1
209.11559	1.1
226.04564	1.4
227.05260	1.5
241.06859	2.2
243.08386	7.7
265.14249	1.2
277.14020	1.3
281.13342	1.1
285.09982	1.6
293.13556	1.5
295.15176	1.1
301.08868	35.5
313.09021	6.2
315.10565	6.9
341.12143	3.5
343.13696	1.5
346.73923	1.0
351.59753	0.9
355.13895	1.5
357.15164	1.4
371.16669	1.3
373.10956	5.7
383.16931	5.4
385.11014	1.2
385.18231	19.5
392.08633	1.0
401.17871	5.5
411.23129	1.1
413.18115	1.9
443.18289	1.6
455.19580	1.7
457.20145	4.0
467.18723	1.9
469.20441	1.9
473.19901	1.6
499.21570	1.3
501.23080	2.1
511.21451	1.1
513.23102	1.9
527.20538	11.9
573.25195	4.0
596.31500	4.5
611.31073	6.8
671.32751	1.5
727.35767	1.4
775.37134	100.0
776.37689	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	774.4631
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	9.2
55.05506	40.1
57.03172	1.6
57.03431	29.4
57.07055	1.3
57.91339	0.9
59.04990	1.4
61.02907	4.9
65.03938	2.2
67.05492	80.9
67.99094	0.9
68.48639	1.2
69.03419	12.3
69.06708	2.1
69.07056	34.7
71.04974	10.1
71.24552	1.2
73.02905	2.2
73.23681	1.1
79.04993	1.5
79.05476	77.1
81.03403	80.4
81.07043	100.0
82.96096	1.2
83.04972	31.3
83.08606	30.6
85.02892	35.1
85.06525	5.3
87.04440	1.7
91.05463	82.4
93.07027	68.6
95.04945	42.3
95.08588	39.5
97.02869	9.0
97.06528	16.1
97.10152	10.5
99.08081	2.4
103.05437	1.2
105.07015	58.8
107.04943	19.3
107.08578	41.5
109.02840	2.0
109.06506	13.5
109.10151	9.8
111.04460	2.5
111.08070	13.9
113.06011	2.4
115.05431	2.6
117.07021	15.8
119.08553	39.6
120.99467	1.1
121.06485	7.1
121.10133	23.0
123.08028	5.8
123.11707	5.3
125.09623	5.3
127.03918	2.1
129.05470	1.6
129.06989	18.9
130.07790	1.7
131.08554	30.4
132.82240	1.2
133.06476	7.6
133.10106	28.4
133.11038	2.3
135.08032	2.6
135.11694	13.4
137.09587	1.7
141.07019	1.4
142.07765	4.6
143.08502	1.6
145.10132	12.3
147.08032	6.7
147.11662	22.4
149.09599	19.9
149.13245	8.9
151.11121	1.8
155.08565	1.8
157.10101	19.1
159.11670	11.3
161.13234	1.7
163.11168	7.1
165.12737	2.7
171.11655	2.7
173.09637	1.5
173.13161	2.7
175.11172	17.5
177.12653	2.5
179.14262	1.5
183.11705	1.9
184.07346	1.1
193.12207	35.5
195.13736	1.9
211.13252	39.8
214.38768	1.2
227.12790	1.4
229.19453	1.3
247.20395	1.1
255.15887	6.6
257.18921	6.6
267.15829	25.1
269.17389	18.7
275.20038	16.9
285.16885	45.8
293.21014	1.6
349.23682	14.6
414.13196	1.5
447.27112	8.9
461.28894	17.2
465.28238	12.4
479.29944	54.8
541.35156	9.8
559.36151	21.8
577.36951	6.9
623.33948	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	14.5
55.05501	73.1
57.03422	28.9
59.04978	3.7
60.08167	3.4
61.02921	6.1
64.87843	3.0
67.05493	81.8
69.03409	19.0
69.07061	30.6
71.04970	13.7
79.05474	100.0
81.03400	88.2
81.07035	74.2
83.04955	40.1
83.08602	60.7
85.02879	30.6
86.09686	6.9
91.05460	84.5
93.07014	68.2
95.04941	45.1
95.08585	30.2
97.02863	5.8
97.06486	6.0
97.10147	65.3
105.07016	77.2
107.04929	25.4
107.08573	70.7
109.06506	19.0
109.10140	15.3
111.04430	3.9
111.08075	6.9
115.05441	3.8
117.07013	22.3
119.08556	54.6
121.06478	5.9
121.10146	24.3
123.08044	5.8
124.99996	4.3
125.09608	48.3
129.06967	20.5
131.08537	31.7
133.10114	31.5
133.11026	3.7
134.81625	3.6
135.08022	13.7
135.11627	6.2
142.07817	5.4
145.10100	32.5
147.11705	27.8
149.09619	25.6
155.08517	3.3
157.10057	29.7
159.11668	5.4
163.11139	4.6
175.11157	15.1
184.07327	23.1
189.11212	23.2
193.12219	43.6
211.13229	47.7
227.12738	49.1
256.07355	3.4
257.18948	13.1
267.15851	18.4
275.20050	39.6
285.16937	42.6
349.23718	33.2
414.18341	4.2
429.10162	3.4
437.24963	6.8
455.26587	23.7
523.33081	4.0
541.35095	49.2
559.28595	4.5
559.36255	98.2
577.37085	13.7
588.58069	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	774.4625
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	7.1
55.05502	26.5
57.03426	14.5
57.07069	1.0
59.97116	0.8
61.02918	5.0
65.03930	1.6
65.40051	0.8
67.05491	44.8
69.03417	2.4
69.07059	20.3
70.58869	0.8
71.04979	2.0
73.02904	1.1
79.05473	44.4
81.03400	46.8
81.07038	100.0
83.04964	15.1
83.08606	24.1
85.02889	18.2
85.06533	1.7
91.03962	1.2
91.05463	44.0
93.07023	32.7
95.04951	27.9
95.08585	27.1
96.58081	0.9
97.02883	2.1
97.06501	11.6
97.10152	4.5
99.08053	1.3
105.07012	41.0
107.04944	11.7
107.08580	19.2
109.06503	23.0
109.10102	8.5
111.04421	1.6
111.08051	9.6
115.05415	1.1
117.07006	6.3
119.08559	33.7
121.06459	7.6
121.10105	15.8
123.08057	8.9
123.11673	6.6
125.09612	4.9
129.06979	10.0
131.08539	21.6
133.06511	2.1
133.10103	22.0
135.08057	3.9
135.11655	5.2
137.09628	4.3
143.08571	2.1
145.10100	10.0
147.08009	1.6
147.11658	23.4
149.09584	9.1
149.13263	4.7
151.11203	1.7
157.10057	14.1
159.11684	5.1
163.11182	7.5
165.12756	5.9
173.09587	0.9
173.13217	3.9
175.11150	13.7
177.12697	1.1
178.19331	0.9
183.11818	0.8
184.07294	1.7
189.12791	1.3
193.12227	21.9
199.14781	1.3
211.13260	18.2
257.18991	2.2
267.15839	14.2
275.20035	25.9
285.16891	30.3
288.40387	1.0
293.21072	6.2
315.51968	0.9
336.10367	0.9
349.23633	17.1
367.24783	18.5
467.31680	1.3
541.35107	24.0
559.36206	42.7
577.37238	46.1
783.09930	1.1
798.48547	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4624
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	15.2
55.05503	69.6
57.03426	24.7
57.07053	3.7
61.02898	4.6
65.73029	1.7
67.05489	85.4
67.05844	3.1
67.97722	1.6
69.03391	7.0
69.07049	37.6
71.04962	10.8
73.02942	2.0
79.05468	75.4
81.03394	83.5
81.07035	97.1
83.04964	26.4
83.08599	63.2
83.09089	2.4
85.02888	38.3
85.06518	4.5
86.09675	3.6
91.05457	85.7
93.07017	86.2
95.04941	61.0
95.08582	57.2
97.02860	7.7
97.06501	21.5
97.10126	9.1
99.08080	4.2
103.05426	3.1
105.07008	92.9
107.04931	32.0
107.08578	45.1
109.06493	17.0
109.10127	27.6
111.04377	3.5
111.08065	24.4
113.05981	2.3
117.06988	27.9
119.08552	69.9
121.06467	11.9
121.10126	39.0
123.08029	15.0
123.11658	7.3
124.12152	1.9
124.99944	2.1
125.09626	4.6
129.06973	24.0
130.07797	3.1
131.08531	42.1
133.06442	2.5
133.10094	50.1
135.08041	7.3
135.11679	16.1
137.09583	13.5
142.07741	2.4
143.08533	10.8
143.77534	2.0
145.06493	3.4
145.10092	38.6
147.08011	10.0
147.11662	40.2
149.09601	40.7
149.13260	3.6
151.11136	9.3
155.08551	4.0
157.10086	24.6
159.11725	16.3
160.41643	2.4
161.09624	3.2
161.13281	4.6
163.11134	35.4
165.12726	9.6
169.10138	4.0
171.11687	3.0
173.09685	2.5
173.13203	7.7
175.11107	21.7
177.12721	3.7
184.07303	15.8
187.11087	2.4
189.12791	2.0
193.12196	45.1
197.13083	2.2
201.12729	2.2
205.12231	2.1
211.13208	42.3
211.14954	3.0
227.12877	2.7
229.19351	2.7
239.17929	4.8
247.20633	3.2
257.18826	13.6
267.15826	30.9
269.17343	2.2
275.19977	72.7
285.16879	66.3
285.19980	2.4
293.21194	13.4
349.23599	67.7
349.27597	3.0
367.24667	29.7
479.29755	4.8
541.35120	51.5
559.36157	100.0
577.37177	60.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01652	1.2
55.01866	18.0
55.05505	45.2
57.03427	29.0
57.07070	2.4
61.02901	6.6
65.03921	2.0
67.05492	76.0
67.31876	1.2
69.03410	7.3
69.07054	29.4
70.27700	1.0
71.04961	8.7
73.02898	6.5
75.04476	1.1
77.03928	1.2
78.30184	1.1
79.05476	82.0
81.03400	29.6
81.07037	75.5
81.07526	1.4
82.04176	3.1
83.04970	22.2
83.08598	16.5
85.02896	13.6
85.06513	6.3
86.09674	1.9
91.03938	1.6
91.05462	100.0
93.07023	83.6
94.07840	1.4
95.04950	39.6
95.08587	38.1
97.02868	6.8
97.06504	10.0
97.10156	12.2
98.07282	7.9
99.04388	1.3
99.08061	2.5
103.05414	2.0
105.04545	1.9
105.07015	95.4
107.04950	12.9
107.08579	47.9
109.06493	10.4
109.10133	16.8
111.08041	6.4
113.05955	1.2
115.05405	4.8
116.04681	12.1
116.06144	1.5
117.06991	26.9
119.08560	69.6
121.06495	4.8
121.10113	27.9
123.08046	8.3
123.11685	2.5
124.99989	2.5
125.09621	14.5
126.17696	1.3
128.06184	2.6
129.05466	37.3
129.06943	23.8
131.08540	38.1
133.06529	2.3
133.10110	53.4
135.08014	5.4
135.11664	19.2
137.09621	3.1
141.06972	2.1
142.07756	3.1
143.07013	7.5
143.08549	10.7
144.09315	1.7
145.10110	28.6
147.08034	2.3
147.11670	42.7
149.09589	8.0
149.13223	11.1
151.11153	2.1
155.08553	2.9
157.08582	14.0
157.10106	19.3
159.11684	21.2
161.13249	17.3
163.11133	7.5
165.12677	1.5
169.10129	3.0
171.10239	3.7
171.11678	13.8
173.13161	10.2
175.11172	8.9
175.14783	7.8
183.11646	2.1
184.07355	4.4
185.13153	11.3
187.14737	2.8
189.11134	6.5
193.12219	12.0
198.11690	1.2
199.11134	1.4
199.13121	2.1
199.14772	5.3
201.16280	1.7
211.13222	11.5
213.33604	1.4
227.12740	6.6
231.21068	2.7
241.19492	12.9
257.18967	2.6
259.20532	39.8
267.15863	6.9
269.17419	1.9
273.54401	1.2
275.20032	15.7
283.15213	1.7
285.16876	14.6
297.22021	1.7
301.13287	2.4
301.16409	36.6
313.21417	1.5
315.23157	2.2
333.24109	24.9
349.23712	5.2
359.96014	1.3
394.19540	1.5
461.28540	1.4
477.28149	2.5
479.29669	2.1
525.35535	10.0
541.35199	1.7
543.36481	6.6
559.35956	14.3
577.37054	6.0
609.47119	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	12.7
55.04773	1.0
55.05501	55.1
55.47184	0.8
57.03426	22.2
61.02909	6.0
62.41364	1.2
63.33522	1.2
65.03922	1.8
67.05486	55.2
67.07927	1.0
69.03412	8.4
69.07053	22.0
71.04980	10.6
73.02918	1.6
74.78329	1.1
79.05004	1.7
79.05468	54.6
81.03394	64.3
81.07032	63.0
83.04961	32.3
83.08601	54.6
85.02885	41.0
85.06520	4.8
91.04884	2.2
91.05457	60.8
93.07024	54.8
94.27015	1.1
95.04942	100.0
95.08576	31.3
97.02879	5.0
97.06490	11.9
97.10146	17.5
98.42326	1.1
99.04434	4.9
99.08076	2.7
105.04508	1.1
105.07008	54.9
107.04928	20.5
107.08570	39.4
109.06483	10.4
109.10126	15.6
111.04428	16.3
111.08050	15.7
113.05996	5.3
115.05437	1.8
117.06984	14.2
119.08562	45.1
121.06479	12.1
121.10108	26.5
121.10864	1.6
123.08046	8.8
123.11686	5.3
125.09613	10.1
128.06210	1.7
129.06963	18.8
130.07671	1.2
131.08533	29.2
133.06497	2.7
133.10103	25.9
135.08034	6.9
135.11618	10.6
137.09618	2.1
139.11160	2.3
141.06909	2.2
142.07756	2.9
143.08543	4.8
145.06480	2.3
145.10110	29.2
147.08035	7.8
147.11659	21.4
149.09587	38.7
149.10703	1.8
151.11168	2.9
153.12755	1.3
157.10109	15.3
159.11644	9.6
161.09662	2.1
161.13266	1.5
163.11139	34.4
165.12726	6.0
169.10052	2.4
171.10310	1.3
171.11723	5.3
173.09639	1.4
173.13206	1.9
175.11179	13.1
177.12663	5.0
181.12143	1.5
184.07329	1.6
187.11127	5.0
189.11165	4.9
191.10612	1.6
193.12196	36.5
205.12228	2.2
211.13243	35.1
223.13260	29.1
229.19577	1.5
239.17886	4.9
247.20525	1.5
257.18829	4.4
267.15863	23.2
267.70749	1.4
275.20013	43.1
285.16907	46.0
293.21072	22.8
349.23660	20.6
367.24704	31.0
390.60303	1.1
449.06900	1.4
541.34869	12.9
559.36212	42.6
560.36920	1.7
577.37225	72.1
578.37262	1.4
775.69940	1.5
775.84674	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	774.4626
Annotation	Unknow
Peak:m/z	Relative Intensity
54.20858	1.2
55.01851	8.2
55.03139	1.2
55.05505	30.7
55.57308	1.2
57.03424	19.8
60.97385	1.4
61.02903	2.6
67.05492	47.2
69.03409	6.9
69.07050	24.2
71.04963	2.9
79.05471	53.0
79.76868	1.5
81.03393	52.8
81.07036	100.0
83.04967	15.7
83.08600	30.5
85.02881	24.6
85.06532	6.1
91.05459	48.6
92.05766	2.1
93.06487	2.5
93.07027	44.1
95.04946	33.3
95.08580	31.0
97.02871	5.0
97.05939	1.3
97.06483	11.9
97.10150	5.6
99.04437	1.8
105.07014	38.8
107.04932	16.8
107.08577	26.2
109.06498	23.3
109.10149	10.7
111.04441	2.1
111.08095	9.9
113.05936	3.2
117.07003	9.1
119.08560	42.0
121.06482	3.4
121.10110	22.4
123.08031	6.3
123.11673	7.5
125.09534	4.8
129.06992	14.2
131.08545	21.1
133.06442	2.8
133.10106	22.3
135.08014	1.9
135.11674	7.4
137.09586	5.6
142.07706	3.2
143.08566	2.8
145.10110	13.1
145.54616	1.6
147.07985	6.7
147.11655	26.3
149.09604	12.8
149.13228	5.6
151.11166	1.5
157.10075	15.9
159.11656	7.1
161.13266	1.5
163.11156	8.6
165.12730	6.3
173.09489	1.8
173.13226	3.4
175.11139	14.2
184.07274	2.1
185.13409	1.6
193.12221	33.5
211.13263	28.3
229.19498	1.5
241.35471	1.5
257.18658	1.9
267.15820	22.9
269.17334	2.5
275.19986	31.4
285.16895	44.1
293.21143	3.2
349.23727	17.9
365.22964	1.7
367.24591	19.6
368.25482	1.7
539.26495	1.5
541.35095	40.1
559.36194	56.0
577.37274	36.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	36.8
56.44887	4.2
57.03426	7.5
57.07046	6.4
64.33631	6.1
67.05495	100.0
69.07050	31.4
71.34782	5.0
79.05465	74.0
81.07040	95.7
83.08621	7.4
85.02912	7.9
91.05456	96.4
93.07022	86.8
95.04948	8.1
95.08573	47.5
105.07011	77.5
107.08585	55.9
109.10139	22.8
117.06979	31.9
119.08559	58.1
120.59966	5.1
121.10130	31.2
123.08012	7.5
129.06937	8.0
131.08553	52.6
133.10132	43.6
135.11684	12.8
143.08568	11.0
145.10112	33.5
147.11647	35.7
157.10088	10.6
159.11656	19.3
161.13237	10.5
169.10213	7.8
171.11650	13.0
173.13281	11.9
175.14841	10.4
183.11731	7.1
185.13164	7.6
187.14743	8.1
228.81146	5.8
241.19531	8.2
259.20560	27.0
289.81161	5.2
333.24121	9.5
335.25711	45.1
431.74045	6.0
483.80182	5.2
506.65677	5.9
556.80731	5.8
601.43573	6.6
611.46271	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	773.5187
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	2.5
55.05501	36.7
57.03432	14.0
57.07048	4.1
61.02897	10.8
63.73524	1.7
67.05150	3.7
67.05491	100.0
69.03403	7.7
69.07053	32.0
70.88553	1.7
71.04971	3.0
72.75914	2.0
73.02894	4.3
79.05473	94.3
81.03413	2.8
81.07035	95.0
83.04940	2.1
83.08586	12.5
85.02871	8.9
85.06509	2.1
91.05454	90.6
93.07014	94.9
95.04944	13.9
95.08584	65.0
97.02859	3.5
97.06496	4.6
97.10150	2.8
105.07006	76.8
107.04931	3.0
107.08572	53.6
109.06519	2.1
109.09452	1.7
109.10117	17.3
117.07002	30.3
119.08548	61.8
121.06461	2.4
121.10110	30.7
123.08007	2.5
123.11614	2.5
128.06158	3.3
129.06952	21.0
130.07751	2.9
131.08543	44.7
133.09203	2.3
133.10123	47.0
135.08012	2.6
135.11682	20.0
141.06982	3.4
143.08539	17.0
145.10088	36.2
147.11652	31.6
149.09589	3.4
149.13177	10.7
155.08516	8.3
157.10078	16.8
159.11635	20.8
161.13232	21.9
163.14761	4.7
169.09985	4.0
171.11659	15.9
173.13206	18.1
175.14789	11.2
179.08542	2.0
183.11589	8.3
185.13232	11.0
187.14789	4.5
197.13171	2.6
199.14775	9.1
201.16412	2.7
207.11443	2.2
231.21039	3.8
241.19579	16.3
243.21167	2.8
257.18915	3.0
259.20490	34.5
261.22101	4.5
315.23022	2.8
333.24072	27.6
335.25696	52.3
519.41907	3.5
593.45264	4.2
611.46637	57.1
701.47314	2.2
724.53455	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	773.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05506	6.3
57.03429	1.5
60.40460	1.1
61.02907	5.8
63.60747	1.2
67.05489	8.6
69.03419	4.8
69.07047	5.4
73.02893	4.0
79.05487	14.2
81.03405	2.5
81.07037	10.9
83.04953	2.2
83.08607	1.7
85.02901	5.6
86.09673	1.5
86.54377	1.1
91.03969	1.1
91.05460	9.6
92.05818	1.0
92.66682	1.1
93.07014	9.9
95.04962	5.1
95.08593	6.6
97.02868	4.8
97.06535	1.6
97.10150	1.8
97.51579	1.2
101.02353	1.4
105.07039	8.0
107.04973	1.4
107.08591	7.9
109.10127	2.5
117.07020	2.4
119.08575	6.5
129.06967	1.8
131.08531	2.7
133.10106	2.3
135.11658	1.2
143.08560	1.6
145.10146	2.9
147.11707	2.3
149.09616	2.2
159.11708	1.7
172.70233	1.3
243.08371	4.4
265.20221	1.2
465.20993	10.4
549.26685	5.2
692.64160	1.4
711.77295	1.5
773.40637	100.0
774.41278	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	773.5192
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	34.5
57.03418	24.4
57.07058	8.3
61.02903	7.1
63.20510	5.3
65.23428	4.5
65.71909	6.4
67.05495	81.4
67.05824	8.2
69.07048	31.5
79.05479	100.0
81.07033	90.9
83.04964	6.0
83.08608	6.9
89.75594	5.4
91.05454	73.8
93.07032	98.5
95.04942	7.6
95.08572	60.2
105.07034	75.1
107.08558	41.6
109.10131	23.6
115.05422	6.6
117.06982	34.1
119.08549	61.5
121.10086	29.1
127.42126	4.7
129.06955	20.5
129.47815	5.0
131.08531	43.3
133.10088	39.3
135.11646	13.3
143.08521	10.8
145.10117	31.0
147.11728	19.0
150.71584	5.3
157.10178	12.8
159.11630	24.8
161.13225	24.9
163.14752	5.9
171.11630	8.0
173.13210	9.4
183.11696	10.2
241.19446	9.7
259.20615	27.7
333.23996	10.2
335.25671	42.4
337.27591	5.8
586.79193	6.1
593.46033	6.0
611.46240	56.1
686.81073	7.1
773.44849	23.5
792.64294	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	773.4074
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.5
55.05499	7.2
57.03422	2.9
61.02907	7.4
67.05486	18.9
69.03398	2.9
69.07059	2.8
71.04964	1.7
73.02882	4.4
76.56061	1.1
79.04360	1.1
79.05470	14.6
80.08884	1.1
81.03399	6.0
81.07042	17.5
83.04991	2.2
83.08616	2.0
85.02906	7.1
86.09692	1.4
91.03947	1.8
91.05456	16.2
91.26064	1.2
93.07027	14.0
95.04949	7.7
95.08599	10.3
97.02892	6.7
97.06513	1.2
105.07006	10.7
107.04958	2.2
107.08582	5.5
109.06522	4.6
109.10158	6.4
117.06995	2.4
119.08541	9.7
129.07027	2.7
131.08553	2.6
133.10149	6.5
135.08055	1.7
135.11615	1.4
143.08598	2.5
145.10133	5.0
146.10439	1.4
147.11658	2.0
162.70969	1.4
169.10168	1.2
171.11702	1.6
184.07381	5.5
193.12289	1.8
215.74069	1.2
243.08362	1.5
247.12965	2.0
331.18857	2.2
335.25809	1.7
451.19083	1.6
465.20715	11.4
531.25531	2.4
549.25635	1.3
675.32550	1.6
755.39685	8.6
773.40588	100.0
774.40399	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	773.4071
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05506	6.3
57.03429	1.5
60.40460	1.1
61.02907	5.8
63.60747	1.2
67.05489	8.6
69.03419	4.8
69.07047	5.4
73.02893	4.0
79.05487	14.2
81.03405	2.5
81.07037	10.9
83.04953	2.2
83.08607	1.7
85.02901	5.6
86.09673	1.5
86.54377	1.1
91.03969	1.1
91.05460	9.6
92.05818	1.0
92.66682	1.1
93.07014	9.9
95.04962	5.1
95.08593	6.6
97.02868	4.8
97.06535	1.6
97.10150	1.8
97.51579	1.2
101.02353	1.4
105.07039	8.0
107.04973	1.4
107.08591	7.9
109.10127	2.5
117.07020	2.4
119.08575	6.5
129.06967	1.8
131.08531	2.7
133.10106	2.3
135.11658	1.2
143.08560	1.6
145.10146	2.9
147.11707	2.3
149.09616	2.2
159.11708	1.7
172.70233	1.3
243.08371	4.4
265.20221	1.2
465.20993	10.4
549.26685	5.2
692.64160	1.4
711.77295	1.5
773.40637	100.0
774.41278	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	773.3255
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76078	0.8
55.01859	1.6
55.05501	3.1
56.96552	10.4
57.03425	1.8
63.92278	0.7
67.05493	6.9
69.03412	1.5
69.07040	0.9
71.04986	0.9
73.02884	0.7
79.05465	4.8
81.03393	10.9
81.07026	4.3
82.03723	0.8
83.08591	1.4
84.29051	0.8
85.02897	1.9
85.06492	0.8
91.05453	4.2
93.07012	4.5
95.04942	5.6
95.08578	1.8
97.02865	0.8
98.97552	4.3
105.07005	3.5
107.04958	1.2
107.08587	1.3
109.10082	1.1
112.99132	1.8
116.98589	1.9
117.07020	1.0
119.08553	3.3
121.06414	1.0
121.10096	1.6
123.04501	0.9
128.98570	1.4
129.05411	1.0
131.00153	8.3
131.08527	1.8
134.99588	1.4
143.00230	1.0
147.11644	1.2
149.01184	11.0
157.01784	1.4
158.99623	1.9
159.11600	0.8
161.01253	1.8
167.02248	1.5
171.03262	3.6
172.17973	0.8
173.01213	1.6
173.04666	1.2
175.11261	1.0
177.00684	4.1
185.01202	1.4
185.04759	6.4
189.04353	1.0
191.02240	2.0
193.12227	1.9
199.02792	1.5
203.02277	1.2
203.05902	7.5
211.06406	1.0
211.13301	0.9
217.03932	1.5
221.08488	1.2
229.14305	1.2
231.06825	1.1
233.03349	1.0
239.09628	1.6
241.07483	1.8
249.07785	6.2
251.09436	1.3
257.10333	0.9
263.09457	1.2
267.08978	94.5
267.15671	3.2
269.10580	4.2
274.25241	0.9
281.10504	5.0
283.15442	1.3
285.10019	100.0
286.10599	1.1
290.10559	1.6
293.05380	4.8
293.10510	1.3
303.11157	1.7
309.09970	12.4
323.11588	6.6
327.11026	1.9
459.20334	1.5
467.15665	4.3
475.58075	1.1
485.16815	44.4
501.21103	1.9
677.27869	4.5
698.05414	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.5482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.47607	0.2
56.05022	0.7
58.06580	0.3
58.14095	0.2
58.34082	0.2
60.07858	0.4
60.08154	9.4
65.33712	0.2
71.07355	5.1
71.07718	0.4
76.17945	0.2
79.05453	0.2
81.07036	0.3
86.09689	47.7
87.10013	0.3
92.09011	1.5
98.98437	3.7
104.10718	2.5
105.07011	0.3
107.08549	0.2
110.50848	0.2
124.99979	34.3
127.94378	0.2
143.01007	0.8
184.07303	100.0
185.07663	0.3
215.66566	0.2
216.52791	0.2
222.69891	0.2
270.53146	0.2
309.02982	0.3
454.58652	0.2
575.79956	0.2
754.53674	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	773.2127
Annotation	Quercetin 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
55.01859	0.4
55.05510	0.1
55.75562	0.1
57.03425	2.5
59.04992	0.1
60.96447	0.1
61.02610	0.1
61.02905	0.8
64.57385	0.1
67.05464	0.1
68.99775	0.4
69.03413	1.7
70.65301	0.1
71.01309	0.1
71.04974	9.7
73.02879	0.7
75.04440	0.5
81.03400	0.9
83.04972	1.3
85.02887	16.0
87.04428	0.2
91.03957	0.2
91.05434	0.1
93.03369	0.2
95.04947	0.4
95.08590	0.9
97.02867	2.0
99.04427	0.5
103.03925	0.1
109.02844	1.1
111.00782	1.2
111.04427	0.6
119.08544	0.1
121.02866	1.0
121.10087	0.1
123.04385	0.2
127.03889	1.2
129.05446	2.2
135.04492	0.1
137.02319	2.9
138.70375	0.1
140.62027	0.1
145.04893	0.9
147.06462	1.0
149.02316	0.6
153.01793	3.3
161.05971	0.2
163.03867	0.7
163.05894	0.2
165.01790	2.3
166.02556	0.1
173.05968	0.2
177.05302	0.1
179.07138	0.1
183.02888	0.8
183.04315	0.2
187.03778	0.2
191.03232	0.1
195.02835	0.2
201.05437	1.4
205.04893	0.2
207.13756	0.7
213.33505	0.1
219.02853	0.1
219.06505	0.2
229.04897	4.2
237.07520	0.1
247.05888	0.9
257.04358	3.0
274.04736	0.8
275.05283	0.1
285.03781	1.3
303.04922	100.0
304.05121	0.9
446.45456	0.1
465.10080	1.4
478.16132	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	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	6.6
55.05502	17.9
55.16652	0.6
57.03431	9.2
60.17179	0.6
61.36353	0.5
65.03931	0.8
67.05486	22.9
69.03416	3.4
69.07062	7.7
70.62168	0.7
71.04992	5.1
78.79302	0.6
79.05002	0.9
79.05470	40.4
81.03403	20.5
81.07037	100.0
83.04971	11.7
83.08595	10.6
85.02884	12.4
85.06519	0.9
86.09679	1.7
91.05460	29.6
93.07032	19.8
94.14912	0.7
95.04948	18.2
95.08580	12.8
97.02870	1.0
97.06525	3.7
97.10146	7.8
103.05446	1.4
105.04499	0.9
105.07011	20.2
107.04955	7.7
107.08574	9.9
109.06496	45.5
109.10124	5.0
111.04422	8.8
111.08101	5.0
113.06046	0.7
115.05417	0.9
117.07000	13.6
118.22986	0.6
119.04935	1.5
119.08556	27.9
121.06482	8.7
121.10129	9.1
123.08073	5.9
125.09579	5.0
128.06221	1.4
129.06966	7.6
130.07770	0.9
131.08559	13.5
133.06458	4.1
133.10106	6.1
135.07979	4.9
135.11668	3.2
137.09599	1.2
142.07759	0.8
143.08505	5.6
145.06490	2.8
145.10110	12.6
147.08040	11.3
147.11678	5.5
149.09566	6.6
153.12738	1.2
157.10100	7.7
159.07983	1.2
159.11691	4.5
161.09578	8.7
163.11116	5.4
165.09114	0.9
169.10049	1.1
171.11707	2.7
175.11156	5.5
181.12227	1.0
184.07312	3.5
185.13283	1.0
187.11218	0.9
189.11192	1.5
191.10492	0.9
193.12111	6.4
199.11095	1.0
200.70677	0.7
211.13153	7.4
223.13179	1.3
227.12787	1.7
245.18933	1.1
249.14856	2.9
255.17531	0.9
267.15836	7.5
273.18433	14.5
283.15347	1.3
285.16928	14.1
291.19464	44.9
347.22168	8.3
365.23132	13.9
539.33325	4.0
557.34619	22.2
575.35687	25.5
643.92010	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81744	1.3
55.01866	18.7
55.05503	44.1
56.89679	1.5
57.03423	21.6
57.07059	1.6
58.58710	1.3
60.48862	1.1
61.02902	7.8
65.03935	2.2
67.05138	3.5
67.05488	94.7
69.03423	13.2
69.07056	24.5
71.04971	10.6
73.02908	2.0
79.05004	1.6
79.05473	73.9
81.03395	66.2
81.07034	98.9
83.01334	1.6
83.04964	31.1
83.08604	26.8
85.02889	26.5
85.06530	9.1
86.09667	2.8
91.05458	100.0
91.36027	1.5
92.08616	3.2
93.07022	67.1
95.04948	39.9
95.08583	33.4
97.02858	7.9
97.06512	11.9
97.10148	3.3
99.04439	3.2
99.08086	2.3
103.05416	2.0
105.07010	85.3
107.04930	24.6
107.08577	53.5
109.06490	20.0
109.10133	55.6
111.04423	3.9
111.08073	8.4
113.05978	2.6
115.05416	2.6
117.06973	16.6
119.08553	44.4
121.06482	15.4
121.10126	19.9
123.08022	13.1
123.11662	12.8
124.99904	1.9
125.09631	7.4
127.07504	2.6
128.06187	2.9
129.06992	19.3
130.07712	1.5
131.08536	28.5
133.06467	8.6
133.10101	76.9
135.08011	10.3
135.11667	13.5
137.09557	3.0
142.07756	6.4
143.08542	6.7
145.10126	17.9
147.08015	9.6
147.11647	17.9
149.09586	18.8
151.11171	23.3
155.08473	2.7
157.10094	15.3
159.11644	2.4
161.09595	6.6
161.13202	2.1
163.11130	16.8
165.12689	2.4
169.12238	2.6
171.11630	2.7
173.09589	2.4
175.09816	1.8
175.11176	13.8
183.11629	2.3
184.07306	8.4
184.08852	1.9
189.12636	1.8
193.12190	26.3
211.13223	36.9
245.19038	3.2
253.14291	58.3
257.18958	3.3
267.15778	10.4
270.35834	1.6
273.18475	17.0
275.20071	11.7
283.15302	26.1
285.16891	31.6
291.19403	15.1
347.21985	6.4
349.23834	11.4
365.23212	18.1
367.24600	3.7
392.91223	1.5
463.26828	15.1
481.27866	17.2
486.49637	1.9
506.95718	1.8
537.20746	1.8
539.33356	2.2
545.46204	1.8
557.34558	29.6
567.25079	2.0
575.35706	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4471
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	19.4
55.05503	67.3
57.03173	2.0
57.03428	37.4
57.07055	1.8
59.04982	3.0
61.02906	8.7
65.03922	2.0
67.05493	88.1
69.03415	20.8
69.07055	54.1
71.04977	14.1
73.02881	1.6
79.05474	87.9
81.02927	2.9
81.03396	72.8
81.07035	97.8
82.42073	1.4
83.00903	1.3
83.01306	10.4
83.04967	33.9
83.08607	44.4
85.02882	33.2
85.06536	5.4
91.03937	2.6
91.05458	85.3
93.07024	78.4
95.04946	47.2
95.08588	41.5
97.02876	19.6
97.06500	21.6
97.10142	19.8
98.18304	1.4
99.04421	2.2
99.08075	2.2
105.04469	2.8
105.07012	61.7
107.04939	25.4
107.08572	44.8
109.06508	18.3
109.10129	22.6
111.04434	6.8
111.08063	14.6
112.57214	1.3
113.06017	2.5
115.05433	3.3
116.06207	1.4
117.06993	26.6
119.04900	2.9
119.08561	49.1
121.06491	11.4
121.10126	23.8
123.04407	1.6
123.08043	14.8
123.11650	3.1
125.06026	1.5
125.09595	15.5
127.03867	1.7
128.06187	1.8
129.06972	22.1
130.07770	3.4
131.08551	37.2
133.06447	9.4
133.10098	33.1
135.08017	7.9
135.11664	23.2
137.09628	6.8
142.07788	3.1
143.08511	5.2
145.10103	30.7
147.08052	9.1
147.11658	19.0
149.09566	14.3
149.13246	7.2
151.11166	2.4
155.08524	3.0
157.10100	18.1
159.11662	13.3
161.09630	2.7
161.13205	1.4
163.11150	26.5
165.09073	1.7
165.12715	2.3
169.10056	1.9
171.11661	2.6
173.09546	3.3
173.13205	5.6
175.09891	1.7
175.11086	13.2
177.12727	5.7
181.12146	1.8
183.11588	2.1
189.11230	3.5
191.10637	1.9
193.12213	29.7
195.13719	2.3
209.11618	3.3
211.13264	29.9
223.13257	22.8
227.12808	12.3
249.14781	3.1
255.15858	2.9
257.18915	2.2
267.15836	29.5
269.17389	8.0
273.18552	14.8
275.19995	11.5
283.15344	52.7
285.16949	35.1
291.19485	100.0
309.20163	1.5
347.22141	1.9
349.23569	11.3
365.23117	38.9
382.85666	1.4
437.25259	2.4
459.26770	1.8
463.21002	1.7
463.26675	12.5
466.52066	1.5
477.28397	58.2
557.34692	60.0
575.35699	68.5
797.75043	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	15.3
55.05229	1.3
55.05501	37.8
55.47723	0.9
57.03423	25.3
57.07053	2.3
58.06975	1.0
59.04982	1.8
61.02908	4.2
62.01147	0.8
65.03912	4.5
66.42143	0.9
67.05486	84.0
69.03407	9.7
69.07047	31.0
71.01335	1.3
71.04974	12.8
73.02890	1.9
79.05468	81.2
80.05766	1.0
81.03396	46.8
81.07034	100.0
83.01320	5.7
83.04957	33.4
83.08601	24.4
85.02880	22.0
85.06509	6.5
85.35620	1.1
89.13078	1.1
91.05452	83.9
93.07013	70.2
95.04935	32.7
95.08577	35.7
97.02854	6.4
97.06518	12.6
97.10120	5.3
99.04431	4.1
99.08098	3.5
103.05473	1.6
105.04506	2.3
105.07002	71.6
107.04932	21.1
107.07857	2.3
107.08566	55.3
109.06502	15.1
109.10136	40.8
109.41116	1.1
110.75341	1.2
111.04427	1.8
111.08046	7.9
113.05917	2.0
115.05430	1.7
116.04620	1.1
116.06239	1.6
117.06995	20.5
119.08551	43.2
120.08869	1.1
121.06475	12.4
121.10107	24.7
123.08040	15.9
123.11657	7.8
125.09582	5.9
127.03824	1.7
127.07493	2.6
128.06206	4.0
129.05434	2.2
129.06982	18.1
130.07762	2.6
131.08530	30.7
133.06462	7.2
133.10095	55.9
135.04222	1.1
135.08043	9.6
135.11655	19.3
137.09590	6.1
139.07492	1.4
142.07787	1.3
143.08537	7.2
145.06416	1.4
145.10091	19.1
147.08063	10.3
147.11656	18.2
149.09584	15.4
149.13222	5.2
151.11150	16.4
153.12689	1.8
155.08533	4.5
157.10088	13.8
159.07997	2.4
159.11687	8.3
161.09563	7.8
161.13223	2.0
163.11131	21.2
165.09100	1.0
165.12723	2.7
168.46747	1.0
169.10005	1.3
171.11632	5.1
173.09544	2.3
173.13202	2.6
175.11136	10.5
177.12587	4.4
181.10144	1.4
181.12152	2.3
185.13118	1.4
187.11079	1.5
191.10599	1.3
193.12222	18.5
195.11766	1.2
195.13686	1.7
197.13077	1.1
199.11095	1.2
209.11713	2.1
211.13225	24.3
223.13208	1.2
227.12704	6.3
227.17743	1.2
245.18834	1.6
253.14236	24.2
257.18845	2.1
267.15845	10.5
267.26630	1.3
269.14352	1.0
269.17261	8.7
271.14871	1.1
273.18414	14.1
275.19928	10.7
283.15274	27.8
285.16891	20.4
291.19470	12.0
347.22144	8.0
349.23761	10.2
365.23010	15.3
367.24362	2.1
377.59842	1.1
437.24985	1.7
445.25458	1.8
463.26813	20.7
477.28314	43.0
481.27975	10.5
483.30838	1.2
539.33289	6.5
543.37396	1.5
557.34644	28.5
575.35638	48.4
727.00653	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.447
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	14.9
55.05501	35.7
57.03423	20.6
57.07047	1.7
61.02907	8.4
67.05489	46.0
67.74549	1.2
69.03407	2.8
69.07051	23.2
71.01329	1.9
71.04967	7.4
73.02882	1.9
76.55565	1.2
78.25907	1.2
79.05003	2.0
79.05469	55.3
81.03400	14.9
81.07032	100.0
83.01317	10.2
83.04947	19.6
83.08596	24.3
85.02881	11.5
85.06530	5.5
86.09682	1.5
91.03909	2.1
91.05453	46.0
93.07020	56.3
95.04952	20.8
95.08573	30.5
97.02845	5.7
97.06503	13.2
97.10178	1.6
99.04421	2.1
103.05406	1.5
105.07011	36.6
107.04926	17.8
107.08566	36.9
109.06493	29.3
109.10157	15.0
111.04402	2.2
111.08089	7.2
116.61800	1.4
117.06987	18.3
119.08561	33.9
120.58836	1.2
121.06483	9.0
121.10107	22.2
123.08027	18.6
123.11685	3.0
125.06043	1.9
125.09610	2.4
129.06967	7.6
131.08543	16.9
133.06444	2.0
133.10104	26.3
135.08029	8.5
135.11649	16.8
137.09589	3.3
143.08524	2.3
145.06444	2.6
145.10091	30.7
147.07991	2.5
147.11661	20.1
148.68990	1.4
149.09615	9.6
149.13237	6.0
151.11147	2.0
153.12744	1.7
155.08624	4.0
156.21873	1.6
157.10107	6.5
159.11630	7.4
161.09532	2.3
161.13232	1.6
163.11127	36.8
163.14784	2.4
163.64265	1.4
171.11662	3.4
173.09630	1.4
173.13107	4.3
175.11156	5.2
177.12663	1.9
179.28593	1.5
181.12201	5.4
183.11761	2.5
184.07217	2.5
187.11073	1.7
191.10602	2.8
195.13731	1.7
197.13176	1.4
200.87183	1.5
209.11642	5.2
219.17697	1.3
247.20384	2.9
267.15927	1.4
269.17651	1.6
275.20004	32.1
283.12192	3.3
283.15311	92.4
293.21011	6.7
349.23602	21.7
352.64816	1.6
367.24603	21.7
370.55243	1.6
383.21115	1.6
453.29465	1.4
539.33398	2.8
557.34564	81.6
575.35706	55.5
575.44604	1.4
615.36755	1.6
688.57306	1.6
760.41235	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	19.6
55.05502	67.6
55.96560	0.9
57.03427	23.6
57.07061	1.5
59.04981	4.1
61.02898	4.4
65.03927	1.5
67.05490	47.8
69.03407	4.8
69.06712	1.3
69.07053	22.4
71.04963	8.1
73.18460	0.9
79.05476	59.4
81.03400	19.1
81.07037	60.3
83.01332	10.5
83.04464	1.0
83.04960	26.3
83.08604	45.1
85.02886	11.2
85.06519	2.0
91.05459	48.2
93.06410	1.4
93.07021	61.4
95.04945	100.0
95.08585	36.0
95.98869	0.9
97.02888	3.7
97.06507	11.3
97.10143	13.4
98.07573	1.0
99.04436	6.7
99.08080	1.4
103.05444	1.3
105.04539	1.2
105.07013	44.7
107.04278	1.6
107.04939	23.9
107.08572	50.0
107.09291	1.9
109.06498	19.6
109.07179	1.3
109.10128	13.6
111.04424	14.0
111.08042	8.9
115.05398	1.2
117.06997	21.6
119.08563	37.6
121.06482	11.6
121.10120	28.0
123.08047	17.9
123.11698	2.0
125.05956	2.0
125.09598	10.4
129.06981	8.4
130.07764	1.9
131.04889	1.3
131.08548	25.5
133.06438	1.8
133.10120	22.9
135.08051	8.0
135.11650	25.0
137.09593	6.6
139.07608	1.2
139.11165	1.8
143.08504	7.4
145.06451	2.2
145.10097	41.0
147.08044	8.6
147.11646	12.0
149.09595	36.0
149.13255	1.9
151.11156	3.7
153.12766	4.3
155.08536	5.4
157.10109	3.9
159.11685	13.3
161.09618	1.7
161.13266	1.3
163.11143	59.2
165.12752	4.3
167.06824	0.9
168.09424	1.1
169.10109	4.7
171.11676	3.7
173.09627	6.2
173.13245	5.5
175.11124	1.8
175.14792	1.0
177.12686	4.0
181.12219	4.5
187.11244	1.2
187.14851	1.0
189.11192	6.0
191.10674	4.1
191.14285	1.8
197.13316	1.1
203.48836	1.0
205.12224	6.1
207.13506	1.2
209.11720	4.2
223.13246	24.2
227.12743	4.0
227.87468	1.0
229.19502	1.9
239.17915	3.8
247.20412	1.0
252.53937	1.1
257.18991	7.8
275.19983	37.2
275.22910	1.7
283.15329	78.4
293.21030	22.8
344.22058	1.1
349.23669	14.8
349.27930	1.4
367.24765	34.4
367.29169	1.5
368.25034	1.3
477.28244	1.4
539.33539	1.4
550.74670	1.2
557.34613	25.4
575.35687	87.4
576.35785	1.9
593.37054	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	772.4312
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82096	1.2
53.98252	1.0
55.01862	11.6
55.05264	2.1
55.05504	37.7
57.03429	25.1
59.04716	1.7
59.04988	31.0
59.99960	1.1
61.02907	1.2
65.03904	1.7
67.05488	93.5
69.03403	7.1
69.07060	13.2
71.01326	2.0
71.04967	19.6
74.61922	1.1
79.05474	49.8
81.03394	100.0
81.07034	45.8
83.04961	23.8
83.08602	34.6
85.02883	8.1
85.06514	7.2
87.04446	29.9
91.05456	51.3
92.63064	1.3
93.07018	39.2
95.04945	40.0
95.08580	22.5
97.02857	8.1
97.06520	9.5
97.10146	21.1
99.04441	10.7
99.08031	1.7
105.06362	1.9
105.07013	30.0
107.04932	18.8
107.08568	21.8
109.02847	2.1
109.06461	9.1
109.10133	51.4
111.04413	12.3
111.08041	10.8
113.05975	1.3
115.05384	2.4
117.07004	10.7
119.04896	1.9
119.08563	25.7
121.02832	2.2
121.06490	13.1
121.10118	24.6
123.04404	2.3
123.08042	5.9
123.11636	1.3
125.06020	1.5
125.09579	11.6
129.06963	17.8
131.08531	23.9
133.06470	8.3
133.10110	14.5
135.04385	7.3
135.08029	2.5
135.11679	6.2
137.05954	2.0
137.09618	5.4
137.20364	1.3
141.06937	2.1
142.07744	5.0
143.08565	3.1
145.06473	3.1
145.10124	9.2
147.04404	2.8
147.08006	9.1
147.11638	14.5
149.01140	1.9
149.05972	2.1
149.09621	17.7
151.11229	1.9
153.12711	10.4
155.08501	1.6
157.06473	1.6
157.10092	16.2
161.05933	2.6
163.11165	13.1
165.12666	2.3
169.10074	1.9
173.09564	3.1
173.11798	9.3
173.13106	1.5
175.11084	12.9
181.12231	2.8
181.19463	1.5
183.11592	1.9
185.09631	1.5
187.11188	1.5
189.11195	5.6
191.10605	3.3
193.12186	40.7
195.11736	1.6
197.15253	3.1
199.11472	1.4
199.13339	6.7
202.24294	1.5
203.14352	1.5
205.12180	2.1
206.93256	1.5
209.11684	7.5
211.11383	3.0
211.13251	24.7
213.12659	1.4
219.13879	1.6
225.14873	5.6
227.12711	9.1
229.14311	23.5
231.13727	3.0
235.13235	2.5
247.13266	6.0
249.14841	10.1
257.34851	1.2
259.13116	1.4
267.09103	5.9
267.15851	43.3
268.09317	1.9
283.08624	1.5
283.15359	7.4
285.10059	2.4
286.10483	2.5
291.16019	1.5
301.14172	1.4
310.90268	1.7
315.18024	1.7
337.21777	2.2
355.22513	6.9
365.20993	7.4
373.23584	1.7
375.05893	1.4
383.21979	14.8
387.37198	1.5
401.23029	15.6
415.24561	2.5
419.24194	3.0
421.25836	23.0
433.25684	7.9
439.18030	1.3
447.27405	1.9
457.26025	9.1
475.26660	16.7
489.28406	2.2
493.27756	8.1
507.29483	20.5
519.14716	1.8
522.05743	1.8
525.30579	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	771.4494
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81773	1.7
55.05506	3.4
64.22729	1.2
67.05494	9.5
69.07063	3.3
71.08617	1.9
73.02876	1.8
74.71593	1.2
77.66576	1.4
79.05482	3.7
81.03413	3.4
81.07027	10.2
82.26756	1.3
83.05011	1.2
85.02922	1.6
91.05492	5.9
93.07031	9.6
94.07492	1.4
95.04978	1.7
95.08599	6.2
105.07016	7.0
107.08597	3.5
109.10146	1.7
119.08519	2.0
121.10171	2.3
131.08563	2.7
133.10094	2.0
273.94821	1.4
283.15244	5.6
339.17670	2.2
465.17410	8.0
511.28851	7.1
630.48450	2.8
721.41180	41.8
771.44879	100.0
772.46112	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	771.5031
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	2.8
55.05505	18.4
57.03419	8.7
57.07053	1.7
58.75087	1.2
61.02915	14.5
67.05495	29.5
69.03403	7.8
69.07052	15.9
71.04968	1.9
71.44702	1.3
73.02882	7.8
76.56163	1.7
79.05477	21.0
81.03384	3.2
81.07032	27.7
83.04971	2.0
83.08595	6.6
85.02897	12.8
85.06516	1.8
91.03948	2.6
91.05452	19.5
92.09402	3.8
93.07015	23.2
93.34738	1.5
95.04926	3.5
95.08565	15.8
97.02855	10.4
97.10146	2.4
105.07014	23.8
107.08585	12.4
108.34529	1.4
109.06434	1.6
109.10113	7.8
117.06983	10.6
119.08541	15.6
121.10089	9.5
127.07552	1.4
128.06146	2.1
129.06987	12.3
131.08525	14.4
133.10098	13.2
135.07997	1.9
135.11711	2.1
141.06958	3.0
142.07744	1.6
143.08542	13.7
145.10092	15.1
147.11685	6.1
155.08488	14.9
157.10104	13.7
159.11665	11.7
161.13246	2.5
167.08560	6.0
168.09200	1.8
169.10063	17.5
171.11632	10.9
173.13258	2.5
179.08577	2.5
181.10104	10.0
183.11671	15.3
184.07317	3.0
185.13217	8.1
187.14746	2.4
191.75209	1.5
193.10091	2.3
195.11700	10.4
197.13229	12.6
199.14822	6.6
207.11615	3.4
208.12477	1.9
209.13219	7.1
211.14771	8.4
213.16452	5.7
221.13263	2.6
223.14729	2.2
225.16306	3.0
227.17905	1.6
237.16528	2.2
238.64394	1.8
251.17949	2.3
253.19440	1.6
266.85236	1.5
334.40405	1.5
341.24930	2.4
351.26733	1.7
444.88126	2.1
517.40289	3.7
591.44073	10.5
609.45007	100.0
651.45782	1.8
771.50281	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	771.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	3.0
55.05506	18.2
57.03425	6.8
57.07071	0.9
61.02908	18.5
65.03932	0.9
67.05489	34.4
69.03425	10.1
69.07047	13.7
71.01334	0.8
71.04966	3.0
71.08632	0.6
73.02898	10.3
74.85899	0.7
76.55881	0.6
79.05473	22.7
81.03397	3.5
81.07037	34.1
83.04945	3.0
83.08582	7.0
84.59663	0.7
85.02886	18.5
85.06480	1.2
91.03960	5.9
91.05457	23.7
93.07021	26.9
95.04932	4.3
95.08585	25.5
97.02859	12.6
97.06517	3.2
97.10164	4.9
101.02360	3.1
105.07010	24.0
107.08568	16.6
109.02892	1.6
109.06498	1.4
109.10133	8.9
111.04401	0.8
115.05437	1.4
117.07006	14.1
119.08555	21.9
121.10130	9.6
123.08085	1.0
123.11672	1.2
125.09563	0.7
127.03869	0.9
128.06178	3.7
129.06979	13.6
131.08546	19.4
133.10109	13.7
135.11678	6.7
137.09673	0.9
141.06975	7.1
142.07774	2.8
143.07425	0.7
143.08534	19.6
144.09349	1.1
144.40529	0.7
145.10109	19.1
147.11647	7.7
149.13228	1.6
153.06926	1.5
155.08510	13.5
156.09315	2.9
157.10100	19.9
159.11673	11.8
161.13243	4.3
163.11220	1.0
166.07791	0.8
167.08536	7.8
168.09248	3.6
169.10089	19.3
170.10872	1.6
171.11652	17.8
173.13246	8.2
175.14679	1.3
179.08521	3.0
180.09276	1.4
181.10077	11.7
182.10770	1.4
183.11673	16.8
184.12306	0.7
185.13249	11.8
187.14775	3.3
189.16330	1.0
193.10078	5.4
194.10971	1.2
195.11653	9.4
196.12479	1.1
197.13223	11.6
198.13914	0.9
199.14772	6.0
201.16302	1.6
207.11650	5.0
209.13220	7.6
211.14777	7.3
213.16389	1.2
215.17879	1.0
219.11700	1.1
221.13208	4.9
223.14783	7.0
225.12894	0.8
225.16360	5.5
227.17966	2.9
233.13283	1.5
235.14784	1.2
237.16290	4.5
239.17906	2.9
247.01286	0.6
249.16321	1.4
251.17888	3.5
253.19527	0.9
265.19455	1.0
277.19351	0.8
337.25351	0.8
351.26517	0.8
379.29907	1.0
393.95313	0.8
407.28732	0.8
447.32263	0.9
517.40656	5.0
535.40796	1.2
539.36755	1.5
541.38696	0.9
543.36084	0.8
591.44116	9.0
595.47351	0.9
607.43390	1.1
609.45020	100.0
610.45209	3.2
611.46423	1.0
621.45667	0.9
751.23755	1.0
753.49316	1.0
771.50842	19.5
772.50635	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.5323
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05041	0.4
60.08147	10.4
71.07363	5.6
76.56569	0.5
80.87948	0.6
81.07034	0.7
86.09690	56.8
88.36179	0.5
91.05466	0.6
93.07008	0.7
98.98427	4.6
104.10719	4.9
113.15415	0.5
124.99975	37.1
133.46935	0.5
184.07303	100.0
194.19261	0.5
222.80580	0.5
317.27451	0.6
770.53076	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	771.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	21.2
55.05302	2.8
55.05505	43.5
57.03421	25.0
59.04975	3.6
65.03912	3.4
67.05495	65.8
68.12201	2.9
69.03420	18.0
69.07060	25.6
71.04961	5.9
77.75092	3.5
79.05480	48.2
81.03402	100.0
81.07042	63.4
83.04961	34.9
83.08614	37.8
85.02885	25.1
87.04438	3.6
91.05461	55.5
93.07035	36.1
95.04950	42.1
95.08556	26.5
97.02870	18.5
97.06503	14.3
97.10142	14.2
105.07001	34.9
107.04948	22.3
107.08585	31.6
109.02850	4.4
109.06511	14.6
109.10133	27.9
111.04435	13.1
111.08060	15.1
116.29576	3.0
117.06998	16.7
119.08560	36.0
121.06497	6.6
121.10114	5.1
123.04430	3.1
123.08057	5.4
125.09617	12.9
126.48840	3.7
129.05508	6.0
129.06993	17.6
131.08548	21.8
133.06387	4.5
133.10097	13.2
135.08011	12.7
135.11676	6.2
137.09578	6.8
142.07803	3.3
142.67311	3.5
145.10139	13.6
147.08005	6.1
147.11641	15.3
149.09605	6.5
153.09082	4.3
155.08485	3.7
157.08699	3.5
157.10094	7.0
163.11195	5.0
165.30524	3.7
167.28964	3.2
175.11113	7.0
193.12210	30.6
208.74994	3.1
211.13264	29.6
227.12662	5.6
229.14304	7.4
267.15875	7.7
273.18372	7.2
283.15323	3.6
285.16980	3.7
291.19562	5.5
293.60266	3.5
306.51147	2.9
439.26770	16.6
452.71140	3.6
459.27228	5.0
477.28137	5.4
478.29150	3.3
541.57654	3.3
557.34167	3.7
568.28796	3.6
573.34015	3.7
591.35065	4.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	14.2
55.05503	32.5
57.03431	16.8
57.07036	1.2
59.04978	2.6
61.02916	2.2
65.03918	1.5
67.05489	87.9
69.03397	7.8
69.06713	1.6
69.07053	25.3
71.04984	9.1
77.27893	1.1
79.05472	84.6
81.03405	18.2
81.07037	100.0
83.01316	5.0
83.04961	23.4
83.08603	14.0
85.02886	6.4
85.06505	5.8
86.09696	2.1
90.13903	1.3
91.05458	80.1
93.07021	78.3
95.04946	25.4
95.08575	33.6
97.02873	6.9
97.06503	16.7
97.10140	5.2
99.04407	1.8
99.08080	1.6
105.07011	71.6
107.04942	16.0
107.08575	49.3
109.06507	16.2
109.10141	51.6
111.08034	2.4
115.05435	1.8
116.41869	1.4
117.06994	21.0
119.08549	28.4
121.06474	9.6
121.10123	14.9
123.04455	1.7
123.08054	7.0
123.11665	8.5
125.09616	1.7
127.07496	1.7
128.06152	1.9
129.06969	10.3
130.07784	1.9
131.08540	20.9
133.06450	5.3
133.10101	63.1
135.08054	9.5
135.11652	10.3
137.09561	2.3
143.08499	9.6
145.06448	1.7
145.10104	16.9
147.08009	4.6
147.11667	16.7
149.09561	10.0
149.13182	2.6
151.11172	22.8
153.12701	1.4
157.10045	2.5
159.11652	6.8
161.09599	9.5
161.13223	2.6
163.11119	13.1
171.11693	9.4
173.09521	1.5
173.13150	1.6
175.11156	1.6
189.12761	2.0
191.10692	1.4
207.13739	5.3
215.12901	1.3
224.46504	1.3
227.12685	1.9
253.14290	75.2
269.17392	8.9
273.18411	10.2
275.19971	6.2
281.17413	14.5
283.15332	21.8
291.19397	12.3
347.22125	4.5
349.23615	3.0
365.23190	14.1
461.28702	10.8
475.30420	52.5
479.26208	14.4
555.37189	12.6
573.33960	41.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	15.6
55.05502	48.7
57.03419	15.8
57.07057	2.2
59.04958	2.1
61.02909	3.8
65.03937	2.9
67.05493	77.0
69.03412	5.4
69.07044	26.7
71.04969	5.2
73.06551	2.2
78.75239	2.2
79.05476	94.5
81.03395	20.4
81.07040	97.0
83.01330	3.3
83.04965	33.5
83.08608	29.1
85.02917	8.1
85.06502	3.7
91.05458	94.6
93.07026	100.0
95.04343	2.3
95.04947	70.0
95.08582	40.5
97.02881	2.3
97.06506	13.5
97.10158	5.3
99.04453	2.8
105.07012	89.1
107.04951	27.7
107.08585	51.4
109.02813	3.4
109.06483	20.5
109.10150	32.7
111.04430	4.9
111.08020	10.1
114.39327	2.7
115.05452	2.8
117.06998	23.5
119.08551	48.8
121.06483	20.3
121.10104	21.5
123.08038	14.3
125.09600	9.9
129.06992	19.8
130.07755	3.0
131.08533	24.2
131.92119	2.4
133.06447	3.5
133.10095	51.7
135.07994	4.4
135.11673	15.6
137.09602	4.9
137.19147	2.2
141.06953	4.0
143.08540	16.9
145.06519	2.6
145.10114	27.3
147.07983	9.7
147.11652	26.8
149.09621	19.1
151.11150	10.0
157.10060	3.4
159.08022	3.6
159.11684	10.3
159.97232	2.8
161.09615	4.3
161.13211	9.5
163.11163	29.7
169.10065	3.1
171.11694	15.1
173.13245	3.7
189.12737	3.5
200.58282	2.5
207.13864	9.4
223.13243	14.1
227.12659	3.0
253.14252	28.9
257.18976	5.8
267.68900	2.3
273.18469	14.7
275.19992	29.5
281.17404	45.8
283.15280	22.3
289.18021	3.4
291.19312	9.0
293.20978	12.1
349.23599	15.7
365.23105	14.5
367.24673	10.9
479.25961	10.3
555.36908	47.7
573.38342	61.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4676
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.8
55.05500	40.1
57.03435	13.0
57.07066	1.7
61.02919	2.1
65.03935	2.9
67.05144	2.6
67.05492	77.3
69.03398	2.6
69.07056	25.6
71.04971	6.2
72.60175	1.4
79.05473	83.0
81.03377	12.8
81.07037	100.0
83.04967	14.6
83.08607	18.6
85.02893	2.4
85.06528	2.6
91.05457	86.4
93.07021	71.8
95.04951	28.0
95.08577	40.8
97.06505	9.1
97.10142	3.3
103.05422	1.7
105.07007	72.4
107.04953	11.4
107.08569	31.1
109.06493	22.9
109.10134	18.9
111.08049	5.6
115.05408	2.5
117.06981	28.2
119.08553	50.5
121.06486	7.7
121.10120	17.2
123.08035	10.1
123.11620	2.9
124.99980	1.8
125.09605	1.8
128.06236	6.3
129.06984	20.6
130.07848	1.8
131.08533	24.0
133.06497	2.3
133.10094	30.9
135.08051	6.4
135.11668	10.6
137.09602	2.7
137.67372	1.4
141.06992	2.9
143.08575	14.5
144.09546	1.5
145.10081	20.8
147.08003	3.2
147.11667	42.0
149.09572	6.0
149.13167	5.1
151.11185	1.9
155.08556	5.7
157.10095	8.9
159.11652	15.9
161.09494	2.5
161.13234	13.8
163.11179	3.6
165.12695	1.5
169.10106	6.0
171.11633	17.9
173.09683	2.1
173.13232	6.5
177.12787	1.9
183.11613	2.2
185.13283	8.1
187.11186	2.8
189.12769	5.4
189.19952	1.5
195.11728	1.6
197.13219	2.9
199.14720	2.5
207.13745	7.6
209.13094	2.0
223.13277	7.7
229.14249	2.7
229.19284	1.7
241.19392	1.8
247.20564	1.7
248.84222	1.5
257.18872	3.0
259.20547	13.5
275.20004	22.1
281.17441	31.8
293.20865	2.7
297.16992	6.0
333.24203	8.3
349.23718	11.7
367.24661	8.5
445.30411	2.1
527.37665	2.0
537.35486	8.1
555.36639	77.6
573.37769	47.5
664.78888	1.9
720.51318	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4318
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62330	1.7
55.01860	25.3
55.05505	44.1
55.87924	1.7
57.03432	21.4
57.07063	2.3
59.04970	2.8
60.33198	1.6
61.02907	4.4
65.03934	2.7
67.05145	3.2
67.05490	80.6
69.03394	8.1
69.07058	22.2
69.35613	1.9
71.04971	7.5
73.02902	1.9
79.05475	66.8
81.03398	19.8
81.07037	100.0
83.01318	11.0
83.04966	24.5
83.08593	19.2
84.00655	1.8
85.02884	7.0
85.06527	4.6
86.85184	2.6
91.05457	84.2
93.07021	72.9
93.43956	1.8
95.04935	30.6
95.08590	27.9
97.02860	3.2
97.06505	12.5
97.10130	2.3
99.04411	2.8
103.05420	2.0
105.07011	77.4
107.04939	16.8
107.08568	63.0
109.06496	19.6
109.10144	72.4
111.04420	3.7
111.08075	3.7
117.07010	17.8
119.08563	30.3
121.06496	8.6
121.10133	16.1
123.08028	10.6
123.11678	17.9
127.07594	1.9
128.06213	2.7
129.07007	6.8
131.08527	15.4
133.06483	6.9
133.10101	82.6
133.93135	1.7
135.08041	8.9
135.11667	15.9
142.07700	2.0
142.17569	1.9
143.08530	12.4
145.10112	25.9
147.08043	3.2
147.11673	4.4
149.09573	3.5
151.11162	33.8
155.08507	1.9
157.10129	3.0
159.07983	2.8
161.09569	10.1
161.13234	2.5
163.11166	20.2
169.10027	2.2
169.12111	2.4
171.11626	2.4
173.09547	3.7
175.11279	2.2
209.11652	3.6
223.13269	3.0
253.14296	90.3
267.27103	2.0
273.18396	12.3
283.15335	55.2
291.19547	19.9
309.20447	2.2
347.22202	4.2
365.23203	20.5
479.26392	39.6
555.33582	9.5
573.34076	70.0
574.34271	2.2
741.00787	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	770.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	9.3
55.05503	32.5
57.03419	16.6
67.05489	46.8
69.03405	9.0
69.07053	11.3
71.04977	9.6
77.92960	1.8
79.05475	46.5
81.03396	100.0
81.07032	38.5
83.04963	15.7
83.08594	30.1
85.02901	11.5
85.06516	2.2
91.05458	44.3
93.07014	36.7
95.04945	42.8
95.08571	14.5
97.02865	4.4
97.06484	12.4
97.10146	28.5
102.41811	1.8
105.07008	32.7
107.04940	22.7
107.08597	24.0
109.06523	14.2
109.10156	17.5
111.04430	4.1
111.08061	12.5
115.05402	2.4
117.07011	9.6
119.08566	25.7
121.06488	15.7
121.10121	22.4
123.04422	2.5
123.08046	8.6
125.09612	26.2
129.05501	2.9
129.06993	20.0
131.08534	22.5
131.54453	1.9
133.06464	8.0
133.10135	11.3
135.08041	8.0
135.11671	2.3
137.09631	3.1
141.06995	2.2
142.07787	4.0
143.08569	3.8
145.06496	8.8
145.10124	10.8
147.08038	11.8
147.11639	16.9
149.09583	10.4
153.09082	2.7
155.08553	4.4
157.06528	2.3
157.10118	14.5
159.08035	3.5
159.11710	2.1
161.09613	3.5
163.07610	2.1
163.11104	7.2
166.78751	1.8
169.10081	3.4
171.08138	1.9
173.09674	2.2
173.13190	2.1
175.11171	18.6
184.07265	2.3
189.11247	8.3
190.80446	1.8
193.12242	25.5
197.13283	2.4
204.90924	2.3
205.15895	2.3
206.60794	1.7
211.13263	11.6
215.14304	3.5
219.13759	1.9
224.90941	1.7
227.12781	3.4
233.15280	3.5
249.14755	2.6
267.15845	36.9
273.14862	8.2
310.69031	1.8
325.93362	1.7
339.23230	3.3
349.21481	7.8
367.22632	17.1
385.23669	18.5
403.24600	8.9
429.21033	2.7
439.90311	2.0
441.26187	9.6
459.27301	79.5
477.28372	98.4
491.29849	13.0
509.30905	12.0
580.07849	2.1
585.30420	7.3
603.31488	7.5
621.32532	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	770.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	11.1
55.05501	29.2
55.46835	1.3
56.39246	1.3
57.03431	14.1
57.07063	1.4
57.69040	1.3
65.03912	2.2
67.05492	85.8
69.03408	7.6
69.07059	24.9
71.04961	6.5
71.08573	1.4
79.05475	100.0
81.03394	16.9
81.07037	87.1
83.04965	22.6
83.08608	14.6
83.86839	1.6
85.02885	2.4
85.06541	3.4
85.48616	1.3
86.09681	7.4
91.05463	82.2
93.07022	92.2
95.04947	24.1
95.08585	39.2
97.02868	3.2
97.06509	18.3
97.10127	6.0
105.04493	2.3
105.07016	58.0
107.04935	12.3
107.08575	39.0
109.02859	2.0
109.06484	11.1
109.10140	14.9
111.08092	5.7
117.07006	20.9
119.08562	46.7
120.08098	2.5
121.06464	6.8
121.10136	13.8
122.77668	1.5
123.08022	6.6
125.09608	2.1
127.07503	2.0
129.06981	23.3
131.08543	15.3
133.10126	22.8
135.08054	2.6
135.11697	10.2
137.09622	2.4
143.08519	10.0
145.10107	20.0
147.07944	1.8
147.11667	29.7
149.09601	10.1
149.13254	2.2
151.11124	2.7
157.10086	3.6
159.11674	10.7
161.09634	2.9
161.13219	11.2
163.11130	8.3
169.10098	1.9
171.11635	19.4
173.13135	2.9
177.12628	1.8
183.11679	1.8
189.12743	5.7
195.13815	1.5
207.13652	12.0
239.17786	1.6
255.15767	2.5
257.19019	2.6
269.17450	8.8
275.19971	16.2
281.17383	33.8
349.23785	10.4
383.91357	1.9
461.28928	16.9
475.30493	72.6
476.30533	2.2
515.33862	2.3
555.36652	30.4
556.36993	1.8
573.37140	7.2
632.42566	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	770.4321
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15251	1.0
54.28884	1.0
55.01867	13.5
55.05504	41.5
57.03425	18.8
59.04969	2.1
61.02906	4.4
65.03947	1.3
65.09062	1.1
67.05148	1.5
67.05493	39.1
69.03416	14.6
69.06718	1.8
69.07056	37.2
71.04965	7.6
73.02901	1.5
75.83955	1.0
79.05476	52.0
81.03394	13.3
81.07040	43.1
83.01328	8.4
83.04975	16.2
83.08597	20.4
85.02887	9.0
85.06537	2.5
91.03932	1.2
91.05457	42.3
92.08602	2.9
93.07021	48.8
95.04944	23.3
95.08578	18.7
97.02870	17.3
97.06488	4.7
97.10147	14.2
99.04428	2.3
103.05496	1.1
105.04515	1.2
105.07010	36.5
107.04934	17.8
107.08584	27.6
109.06517	13.6
109.10134	11.9
111.04418	2.2
111.08049	4.8
115.05408	2.4
117.07008	19.1
119.04941	1.3
119.08562	26.4
121.06460	7.5
121.10107	13.3
123.08031	10.6
125.09576	9.0
128.06230	1.6
129.06972	7.8
130.07747	1.4
131.08540	14.2
133.06471	5.4
133.10089	10.8
134.07272	1.3
135.08028	7.0
135.11668	10.6
137.09550	2.8
141.06976	1.2
143.08536	7.4
145.06438	1.4
145.10077	22.3
147.08022	6.7
147.11638	5.9
149.09601	2.3
149.13228	2.2
153.12697	1.3
155.08528	1.2
157.10063	8.3
159.11684	7.9
161.09540	2.6
161.13278	1.7
163.11177	24.2
169.10046	2.3
171.11647	4.6
173.09543	1.9
173.13293	1.2
175.11124	2.6
184.07323	1.8
185.13164	1.6
189.11227	2.4
191.10692	1.9
209.11697	4.0
223.13271	21.5
227.12717	5.8
249.14812	1.6
253.14447	1.2
273.18433	12.0
275.19974	1.7
281.17392	1.2
283.15363	53.6
291.19498	100.0
292.19730	1.7
365.23157	36.2
438.86511	1.1
453.24521	1.4
493.27884	2.6
555.33942	5.0
573.34088	88.8
574.34076	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	770.4169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	40.3
55.05503	69.5
56.47850	0.7
57.03427	40.6
57.07067	5.7
59.04995	6.0
61.02900	3.6
65.03925	4.2
67.05492	100.0
69.03415	33.8
69.03691	0.6
69.07053	23.5
70.04189	1.8
70.77580	0.7
71.01330	5.1
71.04975	16.8
72.05743	1.4
72.81493	0.8
73.02904	14.3
77.26286	0.7
79.05470	76.7
80.05800	0.9
80.06252	3.8
81.03398	97.2
81.07037	59.0
81.07389	1.1
81.07528	1.4
82.04181	7.9
83.01321	5.1
83.04964	41.7
83.08605	31.0
84.02094	3.7
84.05737	5.4
85.02425	1.1
85.02894	14.7
85.06531	7.1
87.04438	2.0
88.65781	0.8
89.24647	0.8
91.05460	49.3
92.08672	2.0
93.07021	48.1
94.04161	5.3
94.07801	1.9
95.04945	43.2
95.08588	23.7
96.05703	1.5
97.02871	32.6
97.06507	23.6
97.09513	1.5
97.10145	41.3
98.03654	20.1
98.07288	11.2
99.04431	9.2
99.08054	2.0
101.02344	1.0
101.05944	1.0
103.05441	1.0
105.04472	1.3
105.06357	1.5
105.07013	28.8
107.04932	22.7
107.08574	38.5
108.05705	1.2
109.02866	12.5
109.06531	9.2
109.10138	41.4
110.07285	12.9
111.04417	12.9
111.08056	12.2
113.05971	5.8
115.03915	1.8
115.05389	1.4
116.04700	14.8
117.05465	1.3
117.06988	17.8
118.07776	0.9
119.08547	25.4
121.06490	8.5
121.10127	16.1
123.04427	7.3
123.08035	11.9
123.11708	1.5
125.05971	6.8
125.09608	38.7
125.10535	1.6
127.03871	10.1
127.07537	1.2
127.11160	1.9
128.06189	1.9
129.05457	41.6
129.06944	11.9
130.07768	1.8
131.04865	1.9
131.08542	17.5
132.09323	1.3
133.06473	1.5
133.10107	14.1
135.04372	0.9
135.08047	8.5
135.11682	13.3
136.08844	1.3
137.09583	7.8
139.07568	1.3
142.07802	1.3
143.07018	9.1
143.08572	3.1
143.10664	1.9
145.04980	0.7
145.06465	4.7
145.10100	15.9
147.08060	7.5
147.11656	12.9
149.05937	1.0
149.09625	5.9
151.11179	0.9
153.09068	13.5
153.12666	6.7
155.08516	1.5
155.10548	2.4
157.06499	0.9
157.08575	18.3
157.10109	7.8
158.05707	1.1
159.07996	1.0
161.09578	1.6
163.07478	1.0
163.11140	20.7
164.11903	1.2
165.09065	0.9
165.12694	1.9
171.06538	3.3
171.10121	5.7
171.11519	1.4
173.04456	11.1
173.09576	3.9
173.11705	16.3
175.11105	6.1
179.10550	0.9
181.10168	0.9
181.12207	5.0
185.08038	1.1
185.11700	1.6
189.11177	14.1
191.10646	7.7
192.11319	1.4
193.12152	10.6
196.14493	0.9
199.06026	4.7
199.09526	1.4
199.13260	15.1
200.13976	1.3
201.14874	1.3
209.11678	14.8
210.12486	1.5
211.13258	4.2
213.11055	0.9
216.24347	0.8
217.14363	3.9
224.14001	6.1
225.07626	1.0
226.12067	0.8
227.12753	22.9
228.13655	1.1
229.14328	18.2
239.12889	0.8
242.15152	1.1
255.15869	4.7
267.15860	12.5
283.15356	21.4
283.18542	1.5
298.17749	1.5
299.14838	1.0
301.16418	36.7
318.54587	0.9
342.69443	1.1
371.24146	1.9
383.24237	1.6
408.25040	1.7
421.25555	1.6
425.25336	1.8
427.19455	1.4
429.89896	1.0
437.25204	1.7
438.26105	3.3
443.26248	4.4
445.20584	3.7
455.26376	23.5
459.27249	4.6
475.26602	1.5
477.28378	5.3
493.28357	1.3
509.27448	9.2
524.29120	1.5
527.28363	6.5
542.30267	1.8
599.30835	1.0
655.32898	4.7
660.20544	1.0
671.32166	4.9
672.33521	1.5
696.62848	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.452
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.8
55.05504	33.0
56.74726	2.1
57.03418	14.4
65.03901	2.8
67.05494	88.1
69.07066	16.5
71.04994	3.2
79.05472	89.9
81.03388	13.0
81.07036	79.1
83.04962	17.9
83.08614	6.1
86.18689	2.6
91.05458	100.0
91.06002	4.9
92.08620	6.6
93.07027	78.7
94.80592	3.0
95.04938	26.4
95.08585	43.7
97.06526	11.3
103.56904	2.9
105.04515	5.2
105.07010	69.0
107.04929	13.0
107.08585	45.1
109.06491	11.5
109.10135	50.6
111.08031	2.8
117.06999	15.5
119.08559	37.0
121.06459	12.4
121.10110	16.9
123.08076	5.6
123.11700	3.8
128.06233	2.8
129.07031	19.0
131.08492	21.9
133.06468	6.4
133.10109	57.7
135.07996	5.8
135.11678	4.5
137.09560	3.2
143.08522	14.9
145.10130	10.3
147.08070	5.2
147.11681	23.7
149.09628	5.9
151.11171	18.7
157.10106	4.1
161.09589	5.8
161.13268	10.4
171.11592	19.9
189.12727	6.3
207.13814	14.6
213.50706	2.8
251.12975	3.4
253.14281	52.7
273.18457	18.7
277.80600	2.8
281.17419	30.9
281.57727	2.9
291.19412	22.2
347.22153	11.6
365.23276	23.0
477.28302	13.5
553.34930	15.0
571.36298	98.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	3.5
55.05507	48.3
57.03428	28.8
57.06810	3.5
57.07067	57.8
59.04987	2.9
67.05492	82.5
69.07053	20.7
71.01331	3.7
71.04971	3.1
71.08615	38.6
73.02915	2.8
79.05474	31.0
81.03396	7.5
81.07036	48.5
83.04970	9.8
83.08596	21.2
85.02897	19.2
85.06487	2.2
85.10178	16.9
87.04448	4.0
91.05463	15.3
93.07024	22.6
95.01334	7.5
95.04962	4.1
95.08585	42.7
97.02890	3.6
97.06530	2.1
97.10149	20.7
105.06994	10.6
107.08591	16.0
109.10142	51.7
111.04443	4.6
113.02329	3.8
119.08559	12.2
121.10130	9.8
123.11716	3.9
125.09597	17.5
131.08553	4.4
133.10146	3.3
135.11638	3.5
137.09679	2.2
140.52151	2.4
141.01826	10.9
145.10083	3.8
158.48071	2.1
163.11118	3.7
173.11699	13.8
199.13310	9.9
201.68933	2.1
209.11681	11.6
227.12733	3.7
229.14313	34.7
239.23663	3.8
271.58942	2.1
283.15298	9.3
301.16406	24.3
304.26337	8.6
306.27872	2.7
313.27319	100.0
320.25903	2.6
343.48264	2.1
437.35934	2.9
453.93414	2.2
455.37433	4.8
467.37253	23.2
521.38220	4.1
539.39172	17.9
593.78937	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	12.1
55.05507	24.9
57.03425	5.4
60.80938	2.7
65.03926	3.1
67.05490	83.5
69.03421	4.7
69.07054	20.6
69.13063	2.5
71.00299	2.2
71.04968	3.1
79.05470	91.5
81.03395	10.5
81.07037	79.5
81.07397	2.6
82.36623	2.5
83.04958	22.9
83.08620	4.5
85.06490	5.2
91.05459	100.0
92.08562	5.7
93.07015	77.9
95.04959	24.8
95.08577	31.7
97.06510	9.9
103.05445	2.9
105.04448	2.7
105.07016	80.2
107.04951	14.0
107.08582	45.8
109.06526	11.3
109.10146	47.1
116.16370	2.5
117.06997	20.7
119.08577	35.2
121.06483	9.9
121.10155	5.4
123.11685	5.4
124.48758	2.4
128.06157	2.9
129.06979	20.5
130.69476	2.6
131.08556	15.3
133.06490	3.5
133.10107	64.0
135.08038	9.7
135.11670	3.0
143.08563	5.9
145.10130	10.5
147.08087	10.3
147.11671	30.0
149.09634	9.6
151.11125	20.9
161.09586	16.5
161.13292	6.1
163.11160	4.8
171.11641	12.1
175.11086	3.8
181.84914	2.7
189.12732	10.0
200.76289	2.8
207.13843	12.9
253.14302	60.1
263.19870	3.1
269.97519	2.6
273.18439	20.3
281.17349	29.6
291.19397	25.2
347.22174	5.3
365.22900	23.0
477.28384	22.5
553.35138	13.5
571.36212	70.5
767.43805	3.6
768.43848	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	768.4527
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	8.5
55.05504	32.6
55.50921	1.0
57.03429	9.5
61.57285	0.9
65.03923	1.0
67.05497	48.7
69.03418	8.2
69.07056	35.6
71.04975	2.5
75.21590	1.0
79.05478	62.6
81.03400	13.6
81.07043	45.8
81.07526	1.1
83.04966	11.9
83.08604	11.8
85.06514	2.1
87.04394	1.0
91.05467	52.3
92.09389	2.0
93.07026	53.6
95.04949	21.8
95.08582	25.2
97.02869	10.1
97.06499	4.3
97.10155	12.2
105.04520	1.7
105.07014	39.9
107.04942	13.2
107.08590	23.9
109.06512	6.7
109.10140	9.1
111.08062	3.7
117.06992	14.0
119.04927	1.6
119.08569	23.3
119.82594	1.0
120.05756	1.0
121.06470	4.8
121.10094	5.2
123.08035	7.1
125.09631	7.6
126.44069	0.9
128.06197	1.7
128.47792	1.0
129.06978	10.4
130.07790	1.2
131.08542	10.9
133.06451	2.5
133.10104	9.3
135.08014	2.4
135.11676	4.4
137.09610	2.2
142.07719	1.3
143.08542	8.6
145.06503	1.2
145.10146	9.4
147.08012	6.6
147.11681	22.2
149.09621	2.1
149.13264	1.6
157.10092	1.7
159.08075	1.1
159.11676	2.4
161.09604	5.9
161.13200	4.3
163.11090	1.6
164.07167	1.0
165.09108	1.3
171.11655	13.4
174.44319	1.1
189.11200	2.1
189.12709	5.3
196.49762	1.0
205.12332	1.1
207.13696	8.9
211.30321	1.1
223.13275	16.7
227.12691	3.9
249.14832	2.6
273.18442	12.6
281.17413	36.1
291.19498	84.5
295.42651	1.0
347.21991	2.0
365.23126	25.0
473.28931	3.9
553.34760	2.1
571.36237	100.0
743.44434	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	768.4365
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	10.2
55.05502	20.0
57.03424	10.4
59.26936	1.3
67.05497	28.3
69.03413	8.9
69.07056	4.1
71.04985	7.8
75.03127	1.8
79.05476	30.2
81.03401	47.0
81.07041	27.5
83.01277	2.1
83.04969	13.7
83.08619	16.9
85.02886	3.7
91.05467	25.7
93.07007	19.7
95.04956	18.7
95.08579	15.3
97.02872	3.3
97.06494	7.3
97.10168	18.2
105.07014	17.4
107.04950	15.6
107.08575	15.2
109.02874	3.5
109.06529	8.3
109.10133	9.8
111.04431	7.0
111.08028	3.3
117.06994	12.6
119.08554	15.8
121.06476	7.7
121.10123	8.6
123.04388	3.4
123.08041	4.0
125.09614	10.5
129.06987	13.1
131.04919	2.4
131.08563	9.0
133.06427	5.4
133.10120	8.0
135.04359	1.7
135.08041	3.6
135.11623	3.6
137.05927	2.5
143.08557	8.4
145.06502	7.0
145.10115	11.6
147.04430	3.3
147.07997	4.0
147.11691	4.0
149.05920	1.7
149.09596	4.2
153.09106	2.6
153.12685	2.5
155.08572	2.0
157.06450	3.4
157.10117	6.6
159.07988	4.0
159.11681	1.9
161.05930	12.6
163.11179	10.3
171.07956	2.5
173.04501	2.0
173.05963	3.3
173.09641	2.8
173.94981	1.8
175.07646	2.1
175.11171	6.9
181.12180	2.5
183.08052	1.7
183.11595	2.0
185.09583	2.3
189.09178	2.7
189.11089	2.4
193.10493	1.6
193.12244	8.7
194.20061	1.7
197.13161	1.7
227.12738	3.9
227.21117	1.7
231.13879	1.8
243.13779	2.9
267.15836	11.4
271.13321	4.0
273.15054	6.9
289.14349	8.3
355.22781	2.9
365.20892	7.6
383.22107	15.7
401.23169	8.9
427.19431	2.8
457.25854	23.0
475.26819	100.0
493.28088	2.2
507.29178	1.9
533.86700	2.0
571.28320	2.6
583.28741	3.9
601.29437	3.7
619.31268	15.1
637.31598	6.6
789.44800	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	766.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	1.5
55.05503	11.9
55.65335	0.6
57.03428	22.7
57.07067	43.9
57.19861	0.6
58.48933	0.7
59.05017	0.8
61.05703	0.7
64.85668	0.6
67.05492	18.3
68.65733	0.6
69.03419	2.9
69.07057	10.6
69.86552	0.6
71.01331	0.9
71.04976	1.3
71.08614	32.3
77.53870	0.6
79.05466	13.0
79.53069	0.7
81.03401	100.0
81.06670	0.7
81.07038	26.4
83.04946	5.2
83.08604	29.0
85.02884	5.5
85.10168	21.8
89.06015	1.4
91.05464	18.6
93.07020	10.5
95.01264	1.0
95.04951	25.5
95.08587	25.6
97.02834	5.0
97.06511	2.6
97.10138	7.5
100.25969	0.6
103.07539	1.3
105.07008	14.3
107.04925	6.0
107.08595	5.0
109.06503	4.2
109.10149	10.6
111.08083	4.5
111.11729	1.0
113.02385	0.9
115.05380	0.8
117.06979	0.9
119.04912	1.1
119.08556	14.0
121.06480	3.6
121.10133	6.7
123.04424	4.6
123.08065	1.1
123.11656	4.4
129.06993	10.1
131.08542	9.3
133.06462	2.7
133.10124	4.6
137.05891	0.9
137.13280	1.3
141.01813	3.2
142.07739	3.0
145.10114	3.0
147.04416	1.3
147.08040	3.4
147.11694	9.3
149.09634	4.4
152.15796	0.7
157.10127	12.0
161.05919	1.4
163.11240	1.4
165.12712	1.2
175.11147	9.3
191.10635	0.7
193.10480	1.4
193.12213	33.1
205.12222	1.4
207.13872	0.8
211.13321	2.5
235.13246	3.0
239.23654	4.2
249.14899	1.5
257.24707	3.3
267.15857	98.1
268.16003	1.0
271.13187	1.3
277.14282	1.1
289.14377	0.7
309.16913	3.7
313.27322	99.6
314.27774	1.4
315.12531	1.0
333.13425	1.4
335.34674	0.7
351.14313	1.3
389.15878	1.1
443.19116	3.7
489.30646	1.6
493.32858	0.8
505.38800	81.0
506.38971	1.0
523.07935	0.8
523.39551	1.7
539.06458	0.7
539.47046	0.9
547.39691	7.2
594.47864	0.8
601.40765	3.0
627.38574	3.2
663.40662	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	766.5235
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.6
56.05009	0.4
57.07052	1.9
60.08152	8.5
62.85970	0.3
67.05488	0.9
71.07355	4.1
71.08605	1.6
72.01904	0.3
74.62545	0.4
76.57711	0.4
79.05474	0.8
81.03386	2.7
81.07027	2.2
83.08586	0.7
86.09692	43.1
91.05461	0.9
93.07027	0.5
93.47552	0.4
95.08585	1.9
98.98465	3.4
104.10714	3.1
105.07029	0.5
108.48547	0.4
113.16374	0.4
119.08495	0.5
121.10151	0.5
124.99979	30.6
131.08469	0.5
168.95467	0.5
184.07307	100.0
193.12123	0.6
213.75821	0.4
267.15900	2.1
275.86887	0.4
313.27216	1.9
341.30341	0.6
505.38803	0.6
523.39771	0.9
716.48560	12.9
717.47583	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57643	1.0
55.01866	1.8
55.05503	2.4
55.44556	1.1
55.61626	1.0
57.03434	2.4
61.02907	5.3
67.05502	9.8
69.03409	4.7
69.07045	3.1
73.02896	5.2
75.58761	1.1
79.05477	6.7
81.03400	2.9
81.07027	7.6
83.08585	1.6
85.02898	10.1
86.09697	2.4
91.03939	6.1
91.05463	4.9
93.07027	4.6
94.15221	1.2
95.04937	4.9
95.08582	7.2
97.02859	5.5
105.07016	5.4
107.08556	2.8
109.10150	1.7
119.08620	1.6
121.10113	4.9
125.00004	1.6
127.03873	1.6
133.10097	1.7
145.10023	1.5
159.11569	1.5
184.07364	8.7
185.04179	7.0
189.73119	1.2
243.08405	4.9
279.07153	1.2
301.09018	13.8
315.10513	5.0
334.33670	1.5
335.25809	1.4
357.15039	1.5
373.11087	8.0
385.18332	7.1
429.17542	4.2
470.73288	1.3
519.29138	16.1
578.30664	6.7
591.31604	7.1
617.37201	1.4
661.39557	1.8
662.39911	5.4
746.42004	2.0
763.41711	100.0
764.42065	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	765.4171
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43293	0.7
55.05503	9.3
57.03410	0.9
57.07065	33.1
58.82430	0.9
60.25686	0.8
63.01752	0.8
67.05489	18.2
69.03391	1.3
69.07050	6.6
71.08611	18.5
75.14341	0.8
79.05465	12.4
81.03397	60.1
81.06590	1.3
81.07040	19.6
83.04953	0.9
83.08608	14.7
84.59668	0.8
85.10184	8.6
91.05458	15.8
93.07034	6.8
95.04944	18.6
95.08575	16.1
97.02846	1.2
97.10129	4.8
105.07002	9.5
107.04928	4.6
107.08579	3.6
109.10103	6.7
111.08041	1.6
112.64593	0.9
119.08556	7.6
121.10077	2.2
123.07993	1.0
123.11675	1.0
129.06947	7.0
129.87082	1.0
131.08522	8.1
133.06419	1.3
133.10107	3.8
142.07751	1.6
145.10112	1.2
147.07983	1.8
147.11658	4.6
149.09564	1.3
156.52895	1.0
157.10103	7.0
175.11090	3.7
186.96136	0.9
193.12202	5.9
240.53773	1.1
289.82639	1.1
293.42999	0.9
301.79294	1.0
313.27310	1.9
329.20609	1.4
388.56784	0.9
505.38754	100.0
506.38745	4.0
535.32111	1.0
562.54138	1.3
650.54059	1.0
667.68994	1.3
668.06860	1.2
765.52728	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	763.423
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.4
53.03955	0.6
55.05499	1.0
55.81331	0.4
57.03420	3.3
58.80994	0.4
61.02916	6.3
67.05497	4.8
69.03410	3.9
69.07060	1.0
71.04972	0.8
73.02898	4.0
76.41390	0.4
79.05485	5.4
81.03398	3.7
81.07041	4.3
83.04971	0.5
83.08604	1.5
85.02888	7.8
91.03926	3.3
91.05464	5.8
93.07038	3.9
95.04945	2.2
95.08596	2.5
97.02856	5.5
99.04408	0.8
101.02367	2.1
104.76080	0.4
105.07003	4.8
107.04985	0.7
107.08582	2.5
109.02863	0.7
109.06424	0.6
109.10171	0.5
119.08530	3.4
120.99577	0.5
121.10135	2.1
127.03919	1.7
129.07007	1.0
131.08553	0.8
133.10136	3.6
135.11697	0.4
136.95711	0.5
147.11696	2.5
157.10068	0.9
165.88693	0.4
175.11142	0.9
184.07275	0.8
185.04118	0.6
193.12219	2.3
193.57611	0.4
211.13269	0.7
243.08359	4.6
251.12566	0.8
301.08984	2.3
307.15173	0.7
314.18365	0.5
315.10464	0.4
317.20840	0.6
373.10950	0.4
443.18686	0.5
469.20358	15.1
483.45139	0.4
535.28754	4.4
541.22668	2.0
583.01764	0.4
763.42163	100.0
764.42560	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	763.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.57643	1.0
55.01866	1.8
55.05503	2.4
55.44556	1.1
55.61626	1.0
57.03434	2.4
61.02907	5.3
67.05502	9.8
69.03409	4.7
69.07045	3.1
73.02896	5.2
75.58761	1.1
79.05477	6.7
81.03400	2.9
81.07027	7.6
83.08585	1.6
85.02898	10.1
86.09697	2.4
91.03939	6.1
91.05463	4.9
93.07027	4.6
94.15221	1.2
95.04937	4.9
95.08582	7.2
97.02859	5.5
105.07016	5.4
107.08556	2.8
109.10150	1.7
119.08620	1.6
121.10113	4.9
125.00004	1.6
127.03873	1.6
133.10097	1.7
145.10023	1.5
159.11569	1.5
184.07364	8.7
185.04179	7.0
189.73119	1.2
243.08405	4.9
279.07153	1.2
301.09018	13.8
315.10513	5.0
334.33670	1.5
335.25809	1.4
357.15039	1.5
373.11087	8.0
385.18332	7.1
429.17542	4.2
470.73288	1.3
519.29138	16.1
578.30664	6.7
591.31604	7.1
617.37201	1.4
661.39557	1.8
662.39911	5.4
746.42004	2.0
763.41711	100.0
764.42065	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10750	0.2
55.05496	0.4
56.05010	1.0
57.07058	0.3
58.08430	0.2
60.07869	0.3
60.08152	7.9
64.04807	0.2
67.05496	1.8
69.07048	0.5
71.07069	0.2
71.07365	4.2
76.27848	0.3
79.03728	0.3
79.05466	1.3
81.03384	1.3
81.07058	2.5
83.08628	0.3
86.09693	46.9
90.75841	0.2
91.05437	1.4
93.07037	1.9
95.04925	0.5
95.08582	1.5
98.98445	3.7
99.08089	0.3
104.10728	3.1
105.03365	0.4
105.07002	1.9
107.08568	1.6
107.09206	0.2
109.06477	0.3
109.10149	0.6
119.08568	1.9
121.10123	0.3
124.99986	32.7
129.06900	0.3
131.08536	0.5
133.10117	0.6
135.11665	0.5
137.09573	0.3
143.08606	0.3
145.10170	0.4
147.11665	0.5
157.10059	0.3
159.11618	0.4
180.70802	0.2
184.07312	100.0
185.07680	0.3
199.28496	0.2
202.38167	0.2
225.66354	0.2
390.07578	0.3
529.39227	0.4
682.02026	0.3
712.33118	0.5
712.45319	11.0
762.38086	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	762.4906
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60656	0.1
55.05498	0.8
56.05016	0.3
56.05853	0.1
57.03423	0.3
58.06574	0.2
59.79289	0.1
60.08149	8.1
61.02908	0.6
67.05493	1.6
69.03403	0.3
69.07048	0.6
71.04979	0.2
71.07353	3.6
72.23859	0.1
73.02889	0.2
74.17063	0.1
79.05470	0.7
81.03382	0.6
81.07024	1.2
83.04966	0.2
83.08592	0.3
85.02923	0.3
86.09686	42.1
91.03928	0.3
91.05457	0.9
92.09364	0.4
93.07024	1.1
95.04899	0.2
95.08589	0.9
97.02895	0.3
98.98439	3.5
102.18448	0.1
104.10728	2.4
105.07002	0.9
107.08578	0.7
109.10125	0.3
117.06929	0.2
119.08557	1.0
121.10101	0.1
124.99976	29.0
129.06961	0.2
131.08543	0.3
133.10083	0.3
143.01001	0.3
143.08456	0.2
145.10078	0.3
147.11629	0.2
161.13232	0.2
184.07297	100.0
185.07610	0.3
193.12248	0.2
267.15857	0.3
337.27048	0.2
450.22458	0.2
519.29279	0.2
528.78381	0.2
529.38861	0.2
712.45355	9.8
713.44476	0.2
761.40479	0.3
762.40961	4.7
763.29175	0.2
763.42126	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	762.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.8
53.03930	1.7
55.01855	7.0
55.05503	26.0
55.06841	1.1
57.03421	2.4
57.07067	29.3
65.03919	1.4
67.05495	35.5
69.03407	2.2
69.07053	18.1
71.04958	2.1
71.08608	16.4
79.05472	25.2
79.70655	1.4
80.21378	1.4
80.97396	1.3
81.03384	5.2
81.07035	53.8
83.04961	10.0
83.08602	15.1
85.02866	1.7
85.10155	9.4
91.05460	19.9
92.08699	2.4
93.07018	25.8
94.07302	1.9
95.04939	9.2
95.08584	30.0
97.02859	1.5
97.06519	2.4
97.10145	15.4
98.06116	1.3
98.98446	2.3
105.07014	16.5
106.07327	1.6
107.04931	7.8
107.08563	17.2
109.06516	8.1
109.10132	17.7
111.04421	8.9
111.08067	5.4
117.06980	8.4
119.08545	18.0
121.06443	2.0
121.10124	10.2
123.08041	9.8
125.09574	13.6
128.06160	1.6
129.06978	5.8
131.08553	8.2
133.10112	7.2
135.08038	6.4
135.11682	7.5
137.09596	1.7
143.08528	6.2
145.10080	6.8
147.08037	3.1
147.11682	3.2
149.09604	2.9
153.09056	1.8
155.08495	1.3
157.10088	1.9
159.11723	2.3
163.11137	8.1
168.63148	1.4
173.09534	2.3
181.12231	2.9
185.13196	1.3
189.11168	5.9
227.12686	6.7
245.18956	1.3
273.18378	8.3
282.27850	5.0
291.19519	15.5
313.27274	14.6
347.22037	5.7
352.25003	1.7
365.23056	9.0
456.38138	1.5
585.44861	8.6
603.46094	41.8
604.45752	2.1
621.47131	100.0
622.46777	2.6
744.47577	1.8
762.48810	3.1
763.45593	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	761.4081
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01861	1.2
55.05502	3.2
57.03424	2.9
61.02911	5.9
64.08869	0.5
64.14767	0.5
67.05499	9.1
69.03423	3.9
69.07053	2.9
71.04993	0.7
71.95996	0.5
73.02920	3.9
75.26543	0.5
76.56427	0.5
79.05479	10.2
81.03409	6.6
81.07038	8.1
83.04973	2.1
83.08614	0.8
85.02895	7.7
85.37973	0.6
86.09685	3.6
91.03941	3.8
91.05465	8.4
93.07028	6.9
95.04964	3.4
95.08594	3.8
97.02882	4.8
97.06541	1.0
99.04456	0.8
101.02383	2.4
105.07014	7.5
107.04941	1.3
107.08591	4.8
109.06505	0.9
109.10166	2.2
111.08066	0.5
117.07018	2.0
119.08533	4.7
121.10145	3.1
124.99992	2.2
127.03963	0.8
129.06978	1.2
131.08582	3.5
133.10133	3.5
134.10481	0.7
135.11699	2.4
143.08514	0.7
145.10146	2.5
147.11703	2.9
149.09630	1.1
157.10114	2.4
159.11684	1.1
163.11191	1.0
175.11275	0.7
184.07272	5.2
193.12231	2.2
225.96814	0.6
243.08434	3.3
255.15932	0.9
275.20065	0.9
307.15039	0.7
315.19229	6.0
371.22147	0.7
449.75421	0.6
469.20447	12.7
533.26990	5.2
613.46790	0.7
761.40643	100.0
762.41656	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	762.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.2
60.08154	10.1
66.08960	0.6
67.05488	3.7
71.07352	6.4
79.05460	1.8
81.07059	2.6
82.53522	0.7
83.04962	0.8
83.08629	1.0
85.94555	0.8
86.09689	50.7
88.17751	0.7
91.05444	1.6
93.06996	2.6
95.04936	1.3
95.08561	1.2
97.10154	0.8
97.66544	0.7
98.98445	4.1
104.10725	4.6
105.07003	2.8
107.04972	1.2
107.08549	1.6
109.10180	1.2
109.94047	0.7
115.91098	0.8
117.07021	1.1
119.08584	1.2
124.99972	37.5
174.05067	0.9
184.07301	100.0
255.15819	1.1
403.10645	1.1
546.34729	1.2
723.28925	0.8
743.92932	0.9
762.45282	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	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.5
53.03938	0.9
53.56885	0.6
55.05496	3.9
55.05726	0.5
57.03425	3.6
59.83155	0.6
61.02908	8.1
64.72809	0.6
67.05485	7.2
69.03413	3.2
69.07049	3.6
71.01320	0.7
71.04966	1.3
73.02901	4.7
74.83696	0.6
75.40999	0.6
79.05470	10.6
81.03366	4.7
81.07037	11.7
82.07359	0.7
83.04977	1.3
83.08619	1.2
85.02886	6.3
86.09690	0.7
91.03946	4.2
91.05460	8.7
93.07024	10.2
94.07366	1.1
95.04964	2.8
95.08572	5.4
97.02853	6.5
97.06513	1.2
101.02370	1.5
105.07012	8.4
107.08588	4.6
109.06474	1.0
109.10151	1.1
117.07037	2.3
119.08588	6.7
121.10137	3.7
123.11650	0.6
129.06996	0.8
131.08580	2.8
133.10127	4.2
134.10435	0.9
135.11723	1.6
143.08513	0.9
145.10135	3.5
147.11719	3.9
149.13226	0.9
155.08546	0.8
157.10069	0.7
159.11742	1.0
161.13242	1.0
163.11200	1.2
177.12796	0.7
178.45886	0.7
184.07323	1.5
243.08344	4.7
276.55563	0.6
286.96246	0.6
311.15448	0.7
381.32968	0.8
465.21384	1.0
467.18732	5.0
469.20120	1.0
514.65405	0.7
535.28656	7.6
623.29291	0.6
761.40540	100.0
762.41394	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	761.4076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.7
54.81563	0.6
55.01862	1.0
55.05490	2.2
57.03421	3.1
57.75360	0.4
61.02913	5.7
67.05502	6.1
69.03413	3.3
69.07058	4.0
71.01369	0.6
71.04967	0.8
73.02903	3.1
79.05461	5.4
81.03387	4.6
81.07038	6.5
83.04949	0.9
83.08613	1.6
85.02879	4.8
86.09671	4.3
87.10021	0.5
89.41730	0.5
91.03944	2.8
91.05448	6.8
92.09328	1.4
93.07005	5.4
95.01328	0.7
95.04960	2.6
95.08584	4.7
97.02856	3.5
97.06517	0.9
99.04426	0.9
101.02373	2.2
105.07008	7.6
107.04929	3.1
107.08562	3.6
109.02869	0.5
109.06511	1.7
109.10145	0.9
117.07011	0.9
118.26714	0.5
119.08540	4.3
121.10123	2.1
125.00000	2.7
125.09586	0.5
127.03909	0.7
129.07028	0.5
131.08536	3.6
133.10071	5.3
134.10489	0.4
135.08070	0.7
135.11661	0.6
141.07045	0.5
145.10159	1.1
147.11655	1.9
149.09651	1.1
149.13240	0.6
157.10144	2.1
159.11662	0.6
161.13203	0.5
163.11095	0.7
175.11130	0.6
177.12691	0.6
184.07312	10.0
185.04408	0.5
185.07613	0.6
187.11179	0.5
193.12251	1.8
243.08426	2.8
251.12567	0.8
275.20065	0.8
315.19183	4.6
362.97601	0.5
371.21841	1.8
469.20343	5.9
533.27179	10.9
761.40613	100.0
762.40894	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	761.3921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
55.01865	0.6
55.05509	0.9
56.19582	0.4
57.03429	2.7
59.04996	1.0
61.02912	7.0
64.32903	0.5
67.05490	4.3
69.03419	3.0
69.07066	0.5
71.04961	2.5
73.02898	4.6
79.05485	4.5
81.03403	8.1
81.07026	5.6
83.05006	0.7
83.08584	0.8
85.02887	6.2
85.06541	0.7
87.04473	0.7
87.52165	0.5
91.03945	2.4
91.05458	5.8
93.07035	5.6
93.07536	0.6
95.04964	2.9
95.08589	2.6
97.02871	4.7
97.06514	1.7
101.02353	2.0
104.99693	0.5
105.07012	4.2
107.04971	0.7
107.07943	0.5
107.08597	3.0
109.02863	0.4
109.06568	0.7
111.08092	0.8
119.08585	2.7
121.06430	0.5
121.10133	4.2
127.03914	1.1
129.06999	1.0
131.08539	3.4
133.10144	2.3
147.11720	2.5
148.59433	0.5
149.09613	4.7
157.10147	2.1
163.11101	0.5
175.11214	2.3
179.64787	0.5
193.10701	0.4
193.12175	4.3
197.15346	1.0
225.14857	0.8
233.11555	0.7
235.13406	0.6
243.08473	3.0
267.15866	1.0
283.15082	8.9
317.73282	0.5
339.17807	2.4
492.93332	0.6
501.22961	37.6
502.22733	0.7
548.01410	0.6
761.39142	100.0
762.39417	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	761.356
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
55.05494	1.2
56.27596	0.6
57.03418	3.8
57.07051	0.6
58.37810	0.6
61.02912	5.6
67.05493	7.8
68.48025	0.7
69.03407	3.5
69.07036	0.7
71.04983	1.1
76.56385	0.7
79.05468	3.0
81.03368	0.9
81.07033	1.7
83.01078	1.2
83.08591	1.1
84.34241	0.8
85.02892	6.3
86.97863	0.7
88.76167	0.7
91.03918	5.0
93.07012	1.0
96.01910	0.8
97.02865	5.0
99.04414	1.0
101.02354	1.4
105.07024	1.0
107.04915	1.1
107.08589	1.5
109.10137	7.0
119.08584	0.9
123.04153	1.4
127.03899	2.7
129.05457	2.7
156.03882	0.9
171.06418	0.7
173.11731	1.6
181.04678	5.6
184.03401	2.9
184.07373	1.0
185.04181	14.1
195.09898	4.5
199.05742	1.8
201.03641	6.2
217.52713	0.8
221.11469	1.3
227.05203	3.4
229.14336	1.5
243.08307	5.3
251.12740	1.1
265.14011	3.1
293.13446	5.6
301.08902	33.8
307.14987	0.9
311.14566	3.7
313.08936	0.8
315.10394	4.4
317.08337	1.2
339.14047	4.4
341.12137	1.1
357.14963	2.8
369.15192	1.0
373.10989	12.4
377.22714	3.1
383.16553	2.9
385.18283	16.6
387.12357	1.0
413.17691	19.7
415.15472	1.5
429.17285	8.8
443.18600	2.6
457.20135	1.6
459.18011	1.0
467.18527	1.0
471.21774	1.2
485.19818	15.4
499.21381	4.7
513.23108	4.4
527.24103	1.7
555.27496	7.5
604.84039	1.0
639.29694	0.9
657.30786	100.0
658.30493	3.4
761.35559	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	760.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	0.2
53.03920	0.5
54.81708	0.3
55.01842	0.6
55.05499	4.8
56.05022	0.5
57.03426	4.4
57.07057	0.6
60.08147	8.7
60.73567	0.2
61.02892	0.3
62.47916	0.3
67.05141	0.5
67.05489	13.6
69.03403	0.5
69.07050	4.2
71.07354	4.1
77.70510	0.3
79.05469	11.3
81.03394	16.1
81.07034	13.8
82.07345	0.3
83.04951	1.7
83.08607	4.2
85.06523	0.3
86.09685	44.4
91.05459	7.9
93.07018	10.7
95.04938	5.6
95.08579	8.5
97.02882	0.3
97.06506	1.0
97.10159	0.5
98.98431	3.1
102.47424	0.2
104.10730	3.1
105.07003	7.0
107.04914	1.2
107.08574	5.1
109.06480	1.4
109.10147	3.6
111.08031	1.6
111.62318	0.3
117.06979	1.6
119.08554	4.7
121.06467	0.5
121.10117	4.0
123.04375	0.3
123.08056	0.4
123.11679	0.6
124.99973	29.9
125.09608	0.4
129.06932	1.1
131.08534	4.3
133.06410	0.4
133.10104	3.3
134.33029	0.3
135.11632	2.1
139.11276	0.3
143.08578	0.5
145.10124	2.1
147.07982	0.4
147.11685	2.7
149.09569	0.6
149.13205	1.1
157.10110	2.2
159.11647	1.8
161.13202	1.4
163.11127	0.3
163.14835	0.5
165.12717	0.4
173.13202	1.3
175.11116	1.4
184.07295	100.0
187.14729	0.4
193.12221	3.9
243.20810	0.5
261.22083	2.1
267.15854	10.1
299.23660	0.3
301.25046	0.4
335.25699	8.8
435.32410	0.4
453.33197	0.4
509.36618	0.3
509.78024	0.3
527.30835	0.3
527.37335	6.4
545.38275	5.4
569.38727	0.3
710.43774	8.1
734.03357	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	760.4459
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60643	1.0
53.65054	0.8
55.01861	2.7
55.05500	8.8
57.03430	2.8
60.08149	7.7
67.05499	18.4
67.36697	1.0
69.03419	1.4
69.07044	6.3
71.04967	1.3
71.07368	2.1
79.05489	12.0
81.03413	2.2
81.07043	17.6
83.04957	4.2
83.08604	5.2
85.06525	2.0
86.09686	49.0
91.05462	13.1
93.07021	14.7
95.04952	11.1
95.08578	6.8
96.83257	1.0
97.02900	1.1
97.06520	1.7
97.10170	2.0
98.98464	1.9
104.10693	2.5
105.07004	15.1
107.04969	1.8
107.08588	13.7
109.06495	1.7
109.10143	17.7
111.04408	1.7
111.08085	1.2
117.07001	2.6
119.08572	7.8
121.06452	1.4
121.10122	5.8
123.11646	1.8
124.99980	31.2
125.09626	1.3
128.31415	1.0
129.06841	1.2
131.08575	1.8
133.10104	17.5
135.11734	2.6
145.10086	5.9
149.09601	5.4
151.11172	8.4
161.09608	1.2
163.11153	4.6
175.11111	1.4
184.07307	100.0
205.15926	1.2
253.14282	19.7
255.15739	1.6
267.15964	1.2
271.15390	6.4
275.20056	6.5
293.21146	2.3
349.23895	1.3
367.24768	4.5
545.34497	5.7
562.34113	1.9
563.35730	12.1
649.39703	1.2
760.42944	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	759.4286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	0.8
55.01868	0.8
55.05511	4.5
57.03431	3.7
61.02918	5.1
65.03931	0.7
65.69341	0.4
67.05493	13.6
69.03420	3.6
69.07065	4.3
71.04965	0.7
73.02903	4.2
79.05477	14.2
80.05820	0.5
81.03394	4.0
81.07040	12.3
82.07363	0.8
83.04966	2.4
83.08609	2.6
85.02885	5.5
85.06539	0.7
85.54472	0.4
86.09689	0.5
91.03952	2.9
91.05452	11.2
91.06001	0.6
93.07024	16.1
94.07354	0.6
95.04960	4.1
95.08588	8.5
97.02875	4.6
97.06494	1.8
97.10150	0.6
99.04448	1.0
99.08114	0.5
101.02384	1.9
105.07022	8.1
107.04932	2.4
107.08568	7.8
108.08889	0.5
109.02869	0.6
109.06509	1.0
109.10143	2.8
111.04446	1.1
117.06998	4.4
119.08574	8.2
121.10134	4.5
123.11691	0.9
127.03883	0.8
129.05486	0.7
129.06985	3.1
131.08519	4.0
133.10123	4.8
135.11674	3.7
141.12781	0.5
141.41235	0.5
143.08549	1.0
145.10110	4.6
146.10486	0.8
146.15411	0.5
147.11693	4.5
148.80058	0.5
149.09641	0.6
155.08604	0.6
159.11702	2.0
161.13278	1.1
163.11188	2.1
171.11700	0.9
171.92557	0.5
173.09557	0.6
181.12218	0.7
184.07338	2.8
185.04187	0.6
227.12898	0.7
243.08234	3.3
247.13132	2.1
248.35869	0.5
259.20599	1.8
261.22104	0.8
265.14346	1.0
267.15689	0.5
269.17447	0.6
283.15372	2.6
284.15701	0.7
300.46423	0.5
301.08951	2.4
301.16489	2.1
315.89847	0.5
335.25797	4.2
336.26157	1.1
465.20798	11.4
535.28778	6.7
537.22839	2.1
543.37018	3.3
544.37128	2.9
561.37927	2.3
562.38232	2.9
759.42755	100.0
760.43066	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.4284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81665	2.8
55.05486	13.2
57.03415	4.1
61.02895	5.3
67.05489	31.0
69.03401	4.7
69.07038	12.0
70.78086	2.0
71.04972	4.0
73.02880	3.2
79.05477	20.3
80.05797	3.3
81.03378	4.6
81.07023	38.9
83.04959	3.9
83.08556	3.4
85.02874	4.8
86.09665	4.3
91.05469	29.2
93.07025	38.8
94.07344	3.5
94.09502	2.2
95.04931	11.0
95.08598	21.8
97.02883	9.1
97.06516	3.9
98.56563	2.5
105.07011	30.6
107.08562	18.5
109.06464	3.4
109.10118	13.6
117.06998	4.5
119.08558	14.9
121.10102	16.8
123.08022	2.8
123.11623	2.8
129.00214	2.3
131.08513	11.9
133.10068	13.6
135.11618	2.9
142.07785	3.1
143.08492	2.7
145.10110	10.9
147.11656	5.1
149.09598	2.8
153.10159	2.7
157.10104	3.1
159.11603	4.3
184.07323	9.5
200.15279	2.4
209.11719	4.2
223.13243	2.7
301.16257	3.1
302.42621	2.5
309.26309	2.8
335.25595	5.6
481.20709	4.1
519.28851	3.9
669.41290	3.2
759.42688	100.0
777.94720	3.0
789.55798	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	759.3763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.5
55.01861	2.3
55.05496	3.7
56.69305	0.5
57.03423	3.6
57.07060	0.9
58.31935	0.4
59.05032	0.6
60.30379	0.5
61.02916	7.6
67.05493	5.6
69.03427	3.9
69.07050	2.3
71.04978	2.4
73.02908	5.4
79.05474	4.5
80.74429	0.5
81.03405	6.4
81.07040	4.6
83.01060	0.7
83.04968	2.8
83.08604	2.4
85.02885	10.5
87.04436	0.8
91.03931	5.7
91.05466	4.4
93.07035	3.6
95.01060	0.5
95.04956	2.4
95.08585	0.9
96.01869	0.6
97.02870	6.8
97.06524	1.1
97.10135	1.0
99.04459	0.7
101.02369	2.4
103.03976	0.6
105.06985	3.7
107.04979	1.1
107.08615	3.3
109.02850	0.7
109.10146	2.9
111.08086	0.7
111.21401	0.5
117.06961	0.5
119.08575	2.9
120.08990	0.5
121.10124	1.2
123.04235	1.0
125.09585	1.2
127.03914	2.4
129.05464	2.5
131.08565	0.7
133.10126	1.2
135.11693	0.7
137.09691	0.6
145.05048	0.8
145.10121	1.0
147.11652	1.3
157.10124	0.9
163.11163	0.7
173.11827	0.6
181.04704	3.1
184.03398	0.7
185.04181	9.0
193.12207	1.2
195.06386	0.6
199.05772	0.9
201.03737	3.4
203.05296	0.8
211.13434	0.8
229.14438	2.4
243.08322	7.2
251.12511	4.9
259.07901	1.0
265.14041	2.0
267.15762	0.8
277.14108	2.3
291.15729	1.2
301.08865	24.8
301.12140	1.0
307.15363	0.9
315.10568	6.1
317.08450	0.7
327.10410	0.9
329.12000	0.8
341.11899	1.1
343.13748	0.9
349.16138	7.1
355.13748	1.7
357.15134	1.3
363.17569	0.8
367.17215	2.5
369.15115	1.2
373.11032	9.5
383.16681	3.9
384.32767	0.7
385.18234	15.6
386.92453	0.6
387.12680	2.2
395.16537	4.0
401.14117	0.6
413.17966	1.1
423.19672	0.7
429.17587	2.5
433.25745	4.1
439.19141	1.2
443.18854	8.3
457.20441	2.1
469.20389	18.8
479.26620	0.9
483.22049	2.1
485.19650	4.5
499.21448	4.9
511.21402	2.1
515.24664	1.0
527.28088	1.2
528.21320	3.9
541.22101	7.8
555.24048	2.4
569.26337	3.3
583.30176	1.2
595.31213	0.9
611.30298	3.1
612.30865	4.0
641.31427	0.9
711.35132	2.8
727.34021	1.1
741.37250	2.4
759.37549	100.0
760.38159	4.6
772.49176	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	759.3925
Annotation	Claudimerin A
Peak:m/z	Relative Intensity
53.03932	2.0
55.01856	5.5
55.05495	12.4
57.03418	6.4
58.36189	1.4
61.02908	2.8
67.05487	21.7
69.03416	2.7
69.07043	13.9
71.04978	1.9
72.63818	1.3
73.02898	2.5
76.55847	1.3
79.05469	21.2
81.03405	3.3
81.07041	35.0
82.07370	1.7
83.04950	5.8
83.08596	7.4
85.02888	8.1
86.09704	1.9
91.03930	1.8
91.05453	20.3
92.05812	1.5
92.74557	1.4
92.92116	1.2
93.07020	25.4
94.07401	1.6
95.04945	10.2
95.08563	13.0
97.02893	5.8
97.06508	5.2
97.10082	1.5
98.36972	1.2
98.93556	1.2
101.02390	1.5
105.07014	20.9
107.04916	2.7
107.08576	15.4
109.06496	7.7
109.10146	9.2
111.08060	1.3
117.07003	6.7
119.08546	15.5
120.08903	1.6
121.10136	9.0
122.50734	1.3
123.08032	2.5
128.06178	1.4
128.39668	1.2
129.06964	1.8
131.08521	7.9
133.10101	11.0
134.10498	1.4
135.08057	1.6
135.11681	7.9
143.08548	1.6
145.10091	9.3
147.11642	2.3
149.09641	3.2
149.13239	2.0
153.05544	2.0
159.11711	5.6
161.13205	1.7
163.11191	7.5
171.11714	1.6
171.15544	1.2
173.13223	2.3
183.11722	1.6
184.07329	2.7
243.08258	1.8
269.17499	5.8
275.20108	3.3
315.19345	5.4
349.23849	2.4
367.24921	1.5
398.14651	1.4
467.19070	14.7
529.85254	1.4
533.27087	2.9
539.71692	1.5
543.36652	7.4
544.37274	9.7
547.56873	1.4
561.37976	7.4
562.38202	4.7
602.71240	1.5
759.39050	100.0
760.39355	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.4678
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.2
53.03932	3.4
54.81528	1.8
55.01857	18.8
55.05505	55.2
57.03429	34.4
57.07069	3.7
59.04972	1.7
59.96375	2.0
61.02898	11.2
66.63564	1.4
67.05496	100.0
69.03410	8.5
69.07055	25.6
71.04967	7.2
73.02892	12.0
75.40741	1.6
76.55984	1.7
78.83566	1.7
79.05055	3.2
79.05479	78.2
79.17525	1.7
81.03405	23.3
81.07041	95.0
82.04185	4.3
83.04969	17.7
83.08610	16.6
85.02879	13.8
85.06531	6.6
91.03931	2.3
91.05466	48.6
93.07025	83.2
95.04950	22.8
95.07995	3.2
95.08586	63.7
97.02856	7.3
97.06494	11.7
97.10155	17.1
98.07275	10.2
99.08063	2.3
105.07018	43.2
107.04932	8.2
107.08585	43.7
109.06493	8.6
109.10136	28.6
111.04432	3.7
111.08063	7.2
116.04697	20.3
117.06971	16.2
119.08563	26.8
121.06506	2.2
121.10118	29.4
123.08019	7.4
123.11671	7.9
125.09620	20.2
127.11220	1.8
129.05449	53.0
129.06987	9.6
130.07733	2.1
131.08531	26.4
133.10136	20.7
135.08061	2.4
135.11694	17.4
137.09578	2.4
139.11125	1.8
139.38435	1.7
142.07756	2.1
142.63423	2.0
143.07039	8.0
143.08504	2.7
145.10181	14.3
147.11685	13.9
149.13252	4.3
157.08589	17.5
157.10123	7.8
159.11656	10.2
161.13367	2.4
163.11154	7.7
163.14786	2.4
171.10101	7.3
173.13298	3.2
175.11131	6.7
185.13123	2.5
189.11189	9.9
193.12234	3.7
200.14050	2.4
209.11723	2.6
211.13223	2.7
227.12691	8.3
251.03703	1.8
259.20560	2.8
261.22070	11.8
267.16025	2.6
271.15329	1.8
283.15353	10.5
285.16910	2.4
301.16400	83.5
330.04062	2.0
335.25720	68.2
372.45880	1.9
411.42148	2.1
543.36438	11.1
561.37695	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	758.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.8
53.03937	5.1
55.01861	7.5
55.05503	32.8
57.03427	23.9
57.07068	3.8
58.16088	0.8
61.02910	5.0
65.03918	4.1
67.05492	68.7
67.81646	0.8
69.03410	6.7
69.07053	22.1
71.04974	5.9
73.02876	0.8
79.05470	78.9
81.03399	62.2
81.07037	64.2
83.04967	20.5
83.08602	23.1
85.02885	30.0
85.06529	4.0
86.09689	1.1
91.03940	1.5
91.05458	100.0
92.09255	1.2
93.07018	65.8
95.04945	33.2
95.08582	37.5
97.02878	4.4
97.06511	6.5
97.10155	7.1
99.04372	0.8
99.08057	1.3
99.62206	0.8
103.05444	2.1
105.04501	1.4
105.07011	88.8
107.04939	11.9
107.08574	37.5
107.09291	1.6
109.06506	9.5
109.10146	14.9
111.04398	1.9
111.08060	10.2
113.06002	2.0
115.05423	2.0
116.06213	1.3
117.06979	22.8
119.08557	70.9
121.06466	3.6
121.10106	28.1
121.10961	1.0
123.08060	4.2
123.11687	4.8
125.09634	3.4
128.06226	3.9
129.06990	26.4
130.07718	1.1
131.08540	39.8
133.06490	4.9
133.10104	49.6
135.08026	2.2
135.11659	12.8
137.09677	1.5
141.06960	1.8
142.07776	5.7
143.08560	12.4
145.10088	20.7
146.25288	1.0
147.08040	5.3
147.11667	48.6
149.09593	9.0
149.13246	7.2
155.08511	3.8
157.10104	21.7
159.11658	16.1
161.13200	16.1
163.11201	5.1
163.14786	1.4
165.12724	3.7
169.10106	3.4
171.11635	13.8
173.13196	8.3
175.11168	12.2
175.14760	8.4
177.12756	1.6
181.10103	1.4
183.11693	4.3
184.07272	1.6
185.13242	8.8
187.14842	1.9
189.12712	1.1
193.12192	30.3
195.11641	1.5
197.13216	3.6
199.14819	7.5
211.13243	33.4
213.16455	1.1
227.12643	1.9
229.14334	1.3
231.21106	3.4
241.19444	15.8
257.18991	1.5
259.20499	44.8
267.15851	15.4
283.15479	2.2
285.16898	39.7
297.33231	1.0
301.21747	1.1
310.39056	0.9
315.23087	3.6
333.24197	34.8
349.23993	1.1
376.93628	0.9
411.30341	0.9
433.30835	5.6
451.32080	6.1
469.33075	2.1
507.34473	1.7
515.37079	2.2
525.35706	24.3
543.36646	60.4
561.37329	5.1
651.38751	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.4703
Annotation	Unknow
Peak:m/z	Relative Intensity
55.03099	0.5
55.05500	1.2
57.03419	1.0
57.07064	2.8
57.94205	0.5
58.04872	0.5
59.04990	0.9
60.46017	0.4
61.02917	4.8
65.03935	0.5
67.05491	3.0
69.03423	3.6
69.07036	1.2
71.04984	2.3
71.08617	2.2
73.02909	1.3
74.35536	0.5
79.05476	3.1
81.03412	3.7
81.07046	5.9
83.08590	0.6
85.02903	5.4
88.26512	0.7
90.86110	0.5
91.03943	3.1
91.05479	3.3
93.07012	4.4
95.04961	1.2
95.08584	4.3
97.02871	3.8
99.04409	0.7
101.02372	1.0
105.07021	3.6
107.08601	2.4
109.02850	0.7
109.06488	0.8
109.10167	1.3
116.97208	0.6
119.08542	2.4
121.10148	1.5
123.11768	0.6
127.03829	0.7
129.07062	0.8
131.08575	3.1
133.10132	1.4
145.10120	0.6
149.09602	1.0
157.10161	1.1
190.24582	0.6
193.12303	1.2
243.08385	0.9
283.15210	3.9
313.27347	0.9
339.17871	1.0
412.09235	0.7
480.35156	0.7
497.30743	7.0
501.23111	14.3
509.04761	0.7
757.46899	100.0
758.46942	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	758.468
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	4.9
53.03943	3.9
55.01865	16.5
55.05511	46.6
57.01072	2.0
57.03429	36.9
57.07068	4.8
59.04995	3.1
61.02916	5.0
65.03910	4.0
65.39775	2.3
67.05494	100.0
69.03416	4.0
69.07049	25.6
71.04993	4.1
72.26141	1.9
73.02912	5.2
79.05473	81.3
81.03415	16.1
81.07040	96.7
83.04966	17.6
83.08603	12.0
85.02884	8.5
85.06544	2.6
91.03967	2.5
91.05460	58.9
93.07024	87.5
95.04955	30.9
95.08588	67.6
97.02865	10.2
97.06512	11.0
97.10165	12.7
98.07302	2.6
99.04456	2.3
105.07022	52.6
107.04946	7.4
107.08572	51.2
109.06499	8.5
109.10144	29.7
111.04446	3.2
111.08121	3.6
116.04685	11.2
117.06996	21.0
119.08560	40.5
121.10125	36.5
123.08053	4.5
123.11656	4.9
125.09623	13.8
129.05470	30.8
129.06989	8.1
130.07756	2.7
131.08537	25.8
133.10123	25.6
135.08067	3.5
135.11674	20.1
136.02528	2.2
137.09613	2.8
142.07782	3.3
143.07024	3.4
143.08557	3.4
145.10112	26.9
147.11658	14.5
149.09583	3.9
149.13277	9.0
155.08492	2.7
157.08582	12.2
157.10107	17.2
159.11676	11.6
161.13220	8.3
163.11201	4.7
163.14848	2.6
169.10147	3.5
171.10239	3.2
173.13193	10.9
175.14780	4.2
183.11569	3.3
184.07350	3.1
184.34615	2.1
187.14767	2.6
189.11237	4.0
191.10617	2.5
195.29436	2.4
196.70973	2.2
197.13338	2.2
197.94727	2.0
209.11621	3.5
215.96021	2.1
227.12785	3.3
232.46515	2.1
243.21008	2.2
261.22174	9.5
267.15897	3.2
283.15399	12.1
301.16367	40.3
335.25745	67.4
495.10593	2.6
525.35840	2.1
543.36658	15.8
561.37781	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	757.4122
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01850	0.9
55.05510	3.2
56.89894	0.4
57.03428	0.7
57.07061	0.5
57.52795	0.4
61.02916	5.7
62.81349	0.4
67.05486	9.4
69.03412	3.8
69.07047	4.5
73.02895	3.8
75.00461	0.4
78.03465	0.4
79.05466	8.6
81.03395	2.2
81.07030	8.1
83.04959	0.7
83.08606	0.6
85.02880	4.2
87.04431	0.7
91.03942	2.9
91.05454	9.2
93.07015	6.7
95.04951	3.1
95.08575	3.8
97.02866	3.3
97.06511	1.1
99.04440	0.7
100.22012	0.5
101.02374	0.8
105.07013	10.2
107.04934	2.0
107.08557	4.0
109.02835	0.8
109.06496	0.7
109.10142	2.1
117.07021	2.5
119.08549	5.8
121.06483	0.7
121.10104	2.2
123.08026	0.7
127.03916	0.7
129.07002	2.1
131.08522	2.5
133.10085	4.0
134.10367	0.5
135.08047	0.6
143.08554	0.7
145.10115	2.5
147.08044	0.5
147.11688	2.9
149.09654	0.7
159.11699	0.7
161.13281	1.8
168.89044	0.5
171.11716	2.3
184.07353	0.9
243.08487	3.3
247.13039	1.0
275.20126	0.6
303.15695	0.7
315.19260	5.3
335.25751	1.1
371.21893	1.0
437.11926	0.5
465.20929	10.5
501.84369	0.5
533.26990	8.6
703.27075	0.6
757.41107	100.0
758.41534	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	757.2181
Annotation	Kaempferol 3-rhamnosyl-(1->6)-glucosyl-(1->6)-galactoside
Peak:m/z	Relative Intensity
53.00286	0.1
53.03937	0.3
55.01852	0.3
55.05500	0.3
55.89333	0.1
57.03427	2.2
58.63354	0.0
59.04980	0.1
61.02906	0.8
66.12114	0.0
68.99792	0.3
69.03059	0.1
69.03413	1.3
69.58036	0.1
71.01334	0.1
71.04973	8.5
72.25783	0.0
73.02890	0.4
75.04457	0.4
75.56471	0.0
77.26149	0.1
81.03400	0.7
83.04959	1.2
85.02886	14.0
87.04447	0.3
89.36511	0.1
91.03960	0.1
95.04941	0.1
97.02866	1.6
99.04440	0.4
103.03879	0.1
105.03389	0.3
107.04926	0.2
109.02847	0.6
111.00790	0.6
111.04395	0.6
121.02831	2.0
123.04440	0.1
127.03875	1.2
129.05447	2.2
131.64012	0.1
133.02818	0.3
135.04399	0.1
137.02287	0.5
141.06966	0.1
145.04933	0.8
145.06349	0.1
147.04387	0.3
147.06491	0.9
153.01794	2.8
157.06465	0.1
157.19965	0.1
163.05997	0.1
165.01810	1.4
169.06433	0.1
171.04358	0.1
183.02847	0.8
185.05925	0.3
189.05463	0.1
191.09636	0.1
197.05928	0.1
213.05426	1.0
227.35789	0.1
231.06473	0.7
241.04852	0.8
255.08621	0.1
258.05179	0.9
259.06000	0.5
269.04318	0.1
287.05429	100.0
288.05786	1.1
309.11798	0.1
326.74445	0.1
329.06467	0.4
449.10675	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.3611
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01865	1.4
55.05500	4.8
57.03420	5.8
57.07090	0.8
57.72927	0.7
61.02910	6.6
67.05504	7.7
69.03403	5.7
69.07037	1.0
71.04969	4.3
73.02908	6.1
79.05470	5.8
81.03405	4.4
81.07047	6.5
82.59896	0.8
83.01099	0.9
83.04951	1.0
83.08624	1.3
85.02892	7.0
91.03941	6.4
91.05470	4.4
92.09333	3.0
92.95501	0.8
93.07027	5.8
95.04914	1.1
95.08569	1.2
97.02870	5.8
97.06516	1.4
97.10147	1.0
99.04457	1.3
105.07033	2.0
107.04939	1.5
107.08602	3.2
109.10141	1.2
117.07011	1.3
119.08562	3.6
121.10118	1.9
127.03902	1.7
129.05501	1.6
129.06972	0.9
131.00146	1.2
133.10146	1.1
135.11678	1.8
143.23451	0.9
145.10143	1.8
147.08055	1.3
147.11684	1.6
148.25600	0.9
149.01248	1.8
163.11162	3.1
167.03702	0.9
182.07156	0.8
185.04163	9.1
193.12254	1.0
201.03732	1.9
241.06923	1.3
243.08308	6.5
249.11096	1.0
259.07895	1.5
265.23535	0.9
267.08997	7.3
269.10519	3.7
283.12189	1.0
283.15198	1.1
285.10184	8.0
287.11618	1.8
295.15091	6.9
301.08945	24.6
313.08917	1.0
315.10345	6.0
327.10538	1.8
329.12204	1.0
347.14758	1.6
355.13681	1.3
357.15283	1.3
365.15750	1.3
369.15292	1.4
373.10956	9.6
383.16846	1.4
385.18301	13.1
393.18918	4.3
411.20010	1.4
429.17416	3.4
431.23755	1.4
439.19363	4.0
453.21225	0.9
455.18909	2.0
467.18924	9.1
485.17279	3.7
487.18475	5.1
497.19550	8.4
498.20807	1.6
511.21783	1.4
513.22595	8.4
539.20764	2.0
541.22113	1.4
557.21985	1.5
581.29285	12.8
585.25098	4.6
641.32086	1.3
655.33179	3.2
709.34155	4.1
722.34698	1.2
739.34576	1.3
757.35999	100.0
758.36212	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	757.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01859	0.2
55.05482	0.2
57.03423	1.9
61.02903	0.6
68.99771	0.2
69.03410	1.4
71.04969	7.9
72.05270	0.1
73.02880	0.2
75.04424	0.2
77.79610	0.1
81.03389	0.6
81.48561	0.1
83.04953	0.4
85.02879	10.7
87.04439	0.2
97.02871	1.1
99.04385	0.2
103.03922	0.1
107.04953	0.2
109.02861	0.4
110.46364	0.1
111.00758	0.5
111.04395	0.5
113.86896	0.1
121.02835	2.1
127.03883	1.4
129.05431	1.2
130.72797	0.1
131.08571	0.2
133.02829	0.4
135.04401	0.1
137.02286	0.5
139.03918	0.1
145.04907	0.4
147.04341	1.3
147.06459	0.4
149.09625	0.1
153.01775	2.1
153.12669	0.2
165.01799	1.2
171.04352	0.1
177.05434	0.1
183.02835	0.5
197.05951	0.1
209.11789	0.2
213.05463	1.0
228.04767	0.1
231.06461	0.5
241.04942	0.8
258.05170	0.7
259.05878	0.4
287.05411	100.0
288.05740	1.0
290.89090	0.1
303.04813	0.7
329.02844	0.1
445.31903	0.1
449.10648	18.4
450.11014	0.2
465.10062	0.1
556.86182	0.1
611.16010	0.2
615.63623	0.1
689.24463	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	757.2175
Annotation	Kaempferol 3-glucosyl-(1->4)-rhamnosyl-(1->2)-glucoside
Peak:m/z	Relative Intensity
53.00272	0.1
53.03930	0.3
55.01868	0.2
55.05482	0.2
57.03428	1.8
61.02892	0.2
64.33096	0.1
68.99776	0.3
69.03417	1.2
70.06561	0.2
71.01358	0.1
71.04973	7.9
73.02899	0.3
75.04446	0.2
75.23825	0.1
79.05441	0.1
81.03390	0.6
83.04951	0.6
85.02886	10.5
87.04438	0.3
92.09279	0.3
96.20924	0.1
97.02853	1.2
99.04427	0.3
107.08605	0.2
109.02846	0.3
111.00793	0.3
111.04411	0.2
119.04865	0.2
121.02837	1.8
123.04388	0.2
127.03883	2.3
129.05444	1.2
131.08524	0.3
133.02794	0.2
135.04381	0.1
137.02267	0.3
145.04939	0.3
147.04384	0.8
147.06433	0.2
149.71536	0.1
151.03885	0.2
153.01807	2.3
153.12743	0.2
157.06487	0.2
161.67487	0.1
165.01797	1.5
165.66626	0.1
177.05437	0.1
183.02824	0.7
185.05910	0.2
209.11621	0.3
213.05420	0.8
231.06538	0.2
241.04851	0.5
258.05164	0.7
259.05945	0.3
269.04599	0.2
283.08344	0.2
287.05432	100.0
288.05777	1.4
303.04913	0.9
328.65652	0.1
449.10696	16.7
450.10806	0.2
564.20715	0.2
737.00836	0.2
789.38135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86944	0.9
53.03935	5.6
55.01629	1.2
55.01866	21.7
55.05257	1.2
55.05503	29.1
57.03424	18.1
57.07051	1.1
61.02905	1.1
67.05488	51.5
67.55374	1.2
69.03407	2.7
69.06702	1.9
69.07051	30.6
71.04977	5.3
79.05472	46.4
81.03399	50.2
81.07037	68.6
83.04967	18.6
83.08598	18.8
85.02883	25.2
85.06503	3.8
87.96529	1.1
91.05454	78.6
93.07016	42.9
95.01299	8.3
95.04936	27.2
95.08574	34.4
96.18286	1.1
97.02870	2.5
97.06497	21.5
97.10149	4.8
103.05422	2.6
105.07006	98.0
107.04929	25.2
107.08570	21.6
109.06499	9.6
109.10142	8.9
111.08056	7.2
117.07010	13.9
119.08551	50.9
121.06498	2.4
121.10100	14.3
123.04407	1.6
123.08051	5.6
123.11681	1.4
129.07008	9.9
131.08528	28.2
133.06482	1.5
133.10100	50.3
135.08035	4.8
135.11652	8.0
137.09581	2.1
141.07040	1.3
142.07701	2.1
143.08521	2.6
145.06447	2.5
145.10104	15.6
147.08017	4.7
147.11667	23.1
149.09596	10.1
149.13220	4.4
155.08560	2.3
157.10072	13.9
159.11639	9.0
161.13206	2.6
163.11163	2.3
165.09079	1.6
165.12775	4.2
173.13266	1.9
175.11082	12.3
177.12701	4.2
179.14258	10.3
187.11212	4.8
193.12206	22.4
211.13239	20.7
229.19473	1.6
247.20461	1.6
248.84317	1.2
257.18994	4.6
267.15805	23.6
275.19977	53.1
285.16895	49.4
286.32431	1.2
293.21008	2.5
299.10196	1.1
349.23669	26.2
363.32578	1.2
523.33063	1.2
531.91791	1.1
541.35132	64.3
542.35767	1.4
559.36163	100.0
560.36145	1.3
579.95972	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4519
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.8
53.03925	6.6
53.86215	1.1
55.01860	21.9
55.05502	59.3
57.03424	25.5
57.07057	2.6
59.04979	4.9
61.02909	6.3
65.03909	2.0
67.05486	62.7
69.03406	10.5
69.07053	23.4
71.04974	9.5
73.02892	2.0
77.03901	1.3
79.05470	84.0
81.03394	25.4
81.07034	73.3
83.01305	11.2
83.04962	24.0
83.08597	36.4
85.02876	14.0
85.06529	6.2
86.09669	5.7
91.05455	84.4
93.07017	92.0
95.04947	23.2
95.08578	39.8
97.02863	6.3
97.06504	11.0
97.10149	8.4
99.04438	2.6
103.05437	1.3
105.07007	100.0
107.04936	15.6
107.08569	44.4
109.06489	20.6
109.10122	14.5
111.04416	3.0
111.08053	7.1
114.36359	1.2
115.05442	1.7
117.06993	33.2
119.08553	77.2
121.06460	5.0
121.10119	30.5
123.08005	13.8
123.11655	2.7
124.99986	2.6
125.09584	2.4
128.06233	2.3
129.06969	15.9
130.07758	5.2
131.04944	1.7
131.08530	34.8
133.06528	2.0
133.10097	47.1
135.08031	6.0
135.11650	34.8
137.09555	1.6
141.06985	2.2
142.07721	2.7
143.08531	15.2
145.06493	2.6
145.10097	44.0
147.08069	5.5
147.11668	37.8
149.09567	6.5
149.13246	9.4
151.11174	2.0
153.12721	2.7
155.08467	5.5
157.10127	13.0
159.07970	1.4
159.11673	20.3
161.09642	2.4
161.13226	19.5
163.11137	33.6
165.12743	2.0
167.08348	1.8
169.10043	1.8
171.11659	14.1
173.09592	4.5
173.13138	10.7
175.11111	2.0
175.14807	6.6
181.12196	1.7
183.11678	3.0
184.07294	12.7
185.13161	10.6
187.14830	2.0
189.11150	2.2
191.10622	2.1
193.12334	2.0
195.11641	2.1
197.13202	1.9
199.14743	5.3
201.16240	1.5
209.11697	6.0
211.13248	4.9
213.16414	1.6
217.15776	1.4
227.12711	14.8
231.20905	2.5
240.12216	1.4
241.19458	15.2
257.18930	4.9
259.20480	37.0
267.15799	1.7
275.19894	8.6
283.15298	53.9
285.16937	4.5
297.22098	6.5
315.23184	8.1
333.24161	28.5
349.23630	5.1
431.29788	3.6
449.30209	6.3
467.31476	5.3
485.32599	4.9
513.25897	1.3
523.33759	6.9
541.35120	71.4
542.35504	1.9
559.36169	36.7
577.36908	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.0
53.03932	3.9
55.01625	0.9
55.01866	14.7
55.05502	20.0
57.03227	0.6
57.03429	11.1
57.07065	1.0
61.02910	1.2
65.03928	1.0
67.05138	1.4
67.05491	36.7
69.03400	1.4
69.07055	24.6
71.04966	3.1
76.56812	0.7
79.05471	38.0
81.03401	31.8
81.07037	54.5
83.04964	14.0
83.08605	14.3
85.02883	14.4
85.06524	1.2
87.04449	0.8
91.05459	62.5
93.07020	36.2
95.01311	9.6
95.04949	18.7
95.08002	1.5
95.08583	29.7
97.02870	1.5
97.06518	22.0
97.10138	3.0
99.08063	1.3
101.13342	0.8
103.05418	1.7
105.07012	82.0
107.04942	18.4
107.08568	16.7
109.06502	7.4
109.10135	7.0
111.04430	1.1
111.08034	6.0
113.05948	1.2
113.09582	1.2
115.05444	1.6
117.07006	16.5
118.03739	0.8
119.08553	43.5
121.06448	3.6
121.10109	9.5
123.04369	0.9
123.08022	4.1
123.11706	1.0
125.09538	2.4
129.07001	8.3
131.08548	24.5
133.06415	1.8
133.10097	38.7
135.08054	2.4
135.11667	5.8
137.09578	3.1
141.06932	2.9
142.07727	1.4
143.08554	1.9
145.06401	1.8
145.10078	15.8
147.08047	3.4
147.11668	17.2
149.09593	5.8
149.13185	1.7
151.11026	0.9
155.08521	1.3
157.10112	8.8
159.11650	12.4
161.13210	4.4
161.32907	0.8
163.11121	3.7
165.08952	0.8
165.12747	1.0
169.10091	1.9
171.11636	1.7
173.13214	1.5
175.11156	5.9
177.12746	1.5
179.14250	9.6
183.11528	1.2
187.11134	4.1
193.12202	11.4
211.13261	8.1
212.15050	1.0
247.20399	1.2
257.18958	2.8
267.15884	10.0
268.35593	0.9
275.20004	46.8
279.15817	1.1
285.16873	15.3
293.21054	1.4
307.13718	0.8
349.23688	25.2
511.73325	0.9
514.97510	0.8
541.35168	42.4
559.36200	100.0
560.36011	1.7
703.40192	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	7.0
55.05502	43.6
55.41267	2.5
57.03426	19.9
60.04547	2.9
66.64403	3.1
67.05492	54.0
69.03414	6.3
69.07058	29.2
70.52080	2.9
71.04984	12.8
78.37879	2.7
79.05479	68.2
80.41721	2.9
81.03402	69.8
81.07037	85.0
81.07478	4.8
83.04966	32.4
83.08617	33.0
85.02897	20.1
86.09693	14.7
91.05464	92.6
93.07025	78.6
95.04948	46.8
95.08605	41.9
96.46017	3.1
97.06509	16.2
97.10122	5.1
97.28609	3.3
105.04484	3.4
105.07011	87.3
106.71596	2.9
107.04933	20.9
107.08584	41.9
109.06510	23.9
109.10154	21.4
111.08068	8.0
117.07009	21.9
119.08556	52.5
121.06506	16.9
121.10149	19.4
123.08031	14.9
123.11687	4.7
124.99973	4.9
129.07013	19.4
131.08543	38.7
133.10104	49.4
135.08051	15.4
135.11674	13.6
137.09625	4.9
143.08592	14.0
145.10138	21.0
147.08072	5.0
147.11684	36.3
149.09586	16.3
155.08543	4.4
157.10130	20.4
159.07915	4.7
159.11691	14.1
161.09540	5.8
161.13252	7.0
163.11150	11.8
169.10155	4.0
171.11636	5.2
173.09586	4.2
173.13245	5.6
175.11176	19.3
184.07269	31.9
185.13271	3.2
187.14836	3.4
193.12204	30.1
211.13257	31.2
228.14233	3.9
230.91693	3.5
239.17856	3.8
267.15927	25.0
275.20007	64.4
285.17026	22.0
293.21094	7.8
316.28247	3.5
349.23666	54.7
541.35181	100.0
542.35529	7.9
559.36255	96.6
560.36188	4.4
577.36987	13.4
707.62921	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	756.437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.2
55.01863	5.9
55.05502	25.0
57.03425	16.2
57.07055	1.1
59.04981	1.2
61.02904	0.8
67.05144	1.4
67.05489	28.6
67.74026	0.7
69.03399	3.9
69.07053	8.6
69.36723	0.7
71.04965	4.9
79.05473	34.1
81.03398	85.0
81.07036	31.4
83.04956	7.8
83.08602	24.4
84.93575	0.7
85.02875	1.2
85.06558	2.5
89.22769	0.7
91.04886	1.2
91.05454	24.8
93.03376	0.8
93.07018	26.2
95.04948	35.0
95.08570	12.4
97.02866	2.9
97.06505	5.8
97.10144	25.0
100.61965	0.6
105.06351	1.3
105.07005	20.4
107.04213	0.7
107.04939	22.7
107.08554	15.3
109.06494	14.1
109.10130	9.6
111.08080	7.9
113.05991	0.8
115.05405	1.1
117.07008	9.0
119.04933	0.9
119.08546	17.2
121.06478	17.1
121.10114	13.6
123.04360	1.4
123.08054	5.9
123.11710	1.4
125.05984	1.8
125.09597	19.4
125.63110	0.9
129.06979	11.3
131.04860	1.4
131.08530	18.5
133.06459	6.2
133.10088	6.5
135.08061	7.2
135.11687	3.3
137.05916	0.8
137.09598	1.8
139.11128	1.2
141.06963	1.7
142.07678	1.6
143.08519	3.5
145.06453	10.1
145.10118	6.4
147.04361	3.3
147.08032	7.3
147.11656	11.0
149.06024	0.9
149.09570	9.5
153.09052	5.5
153.12791	1.2
155.08484	2.7
157.06448	1.4
157.10088	10.7
159.08002	4.4
159.11673	1.7
161.05963	1.4
161.09575	2.9
163.11174	5.8
165.12654	1.7
167.08508	0.8
167.10617	1.5
169.10014	3.1
171.07939	3.1
171.11674	2.9
173.09584	3.2
173.13190	1.7
175.11131	11.7
177.12720	1.2
181.10007	1.2
183.08018	0.9
185.09608	1.6
185.13162	1.3
187.11037	1.5
187.14850	0.8
189.09491	1.2
189.11168	9.2
189.12633	2.0
191.14294	1.2
193.12187	27.7
195.11635	2.8
197.13347	1.2
199.11163	1.3
199.13112	1.1
201.12679	1.7
201.71400	0.8
203.10490	0.8
205.12202	1.7
209.13057	1.1
211.11198	1.0
213.12724	1.6
215.14255	3.3
217.12163	3.4
219.13757	5.5
221.15334	1.0
223.13222	1.2
225.12747	1.4
227.12579	1.8
227.14551	1.1
232.07092	0.8
233.15289	6.5
235.13167	1.4
237.12715	2.9
249.14735	1.4
255.13771	3.3
267.15851	48.9
273.14691	10.7
293.17490	1.5
321.21884	0.8
325.73459	1.1
337.15060	0.8
339.23050	3.4
349.21603	6.9
357.24078	1.7
367.22528	15.7
385.23627	28.3
403.24677	5.4
441.26236	8.8
459.27295	100.0
460.27618	1.1
472.97836	0.8
477.28372	88.7
478.28650	1.8
491.29907	15.9
501.28091	3.1
509.30936	5.4
592.54333	0.8
662.83270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.453
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	4.1
53.03936	4.6
53.04781	2.8
54.30192	2.7
55.01857	6.9
55.05507	51.4
57.03423	22.5
57.07070	4.2
60.08115	3.1
67.05496	67.4
69.03410	12.7
69.07059	26.0
71.04970	4.5
79.05477	67.7
81.03399	55.8
81.07036	100.0
83.04956	38.0
83.08606	30.4
85.02885	19.6
85.06543	4.7
86.09699	15.7
91.05469	77.0
93.07021	75.2
95.04958	55.6
95.08576	42.7
97.02858	5.7
97.06518	17.6
97.10126	6.5
105.07013	81.7
107.04933	19.1
107.08565	40.0
109.06501	25.5
109.10142	22.1
111.04437	4.2
111.08046	8.1
113.06010	3.6
117.06995	25.5
119.08557	60.2
121.06512	29.2
121.10116	28.3
123.08061	5.3
123.11699	3.4
125.00021	4.4
125.09617	5.0
128.06288	4.4
129.06967	20.2
131.08546	42.8
133.10114	46.2
135.08032	6.4
135.11642	3.8
137.09589	7.4
141.06940	4.1
142.07771	4.3
143.08531	15.4
145.10127	30.2
147.08084	6.3
147.11632	26.0
149.09589	16.5
149.13293	3.9
151.07559	3.7
151.11125	5.8
157.10081	17.3
159.08051	3.3
159.11693	16.8
161.09636	6.5
163.11165	17.0
169.10162	5.0
171.11629	7.6
173.09584	5.0
175.11142	17.7
183.11719	4.9
184.07294	7.9
193.12256	21.0
195.11682	3.8
201.12842	4.1
207.13843	3.3
211.13301	23.6
247.20547	4.8
257.18976	15.7
267.15869	17.6
275.19995	71.5
283.15558	4.1
285.16873	24.3
293.21033	6.8
294.11090	3.3
318.18329	3.3
333.96454	3.7
349.23657	73.3
541.35126	59.9
559.36304	73.2
576.36530	6.8
661.52039	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	756.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.2
53.03940	3.8
55.01868	21.6
55.05506	53.9
57.03429	34.3
57.03656	0.8
57.07076	4.8
59.04991	50.4
61.02914	7.5
65.03925	4.2
67.05492	100.0
69.03413	11.5
69.07053	13.1
71.01324	1.4
71.04974	13.6
73.02898	8.4
75.04476	0.7
79.05476	40.1
81.03400	18.3
81.07038	39.0
82.04182	3.9
83.01299	0.7
83.04971	19.7
83.08603	19.0
84.02104	1.2
84.05729	1.2
85.02888	9.4
85.06519	4.1
87.04452	51.3
90.96387	0.6
91.03947	1.5
91.05460	26.8
92.08594	1.3
93.06423	0.9
93.07023	21.4
93.07594	0.7
94.07816	0.9
95.04953	19.1
95.08589	16.6
96.05750	1.0
97.02887	10.0
97.06516	9.0
97.10159	24.8
98.07304	5.9
99.04433	14.6
99.08083	1.0
100.32186	0.8
101.05991	1.2
103.05457	0.9
105.07016	15.1
107.04940	8.0
107.08588	16.9
107.64086	0.7
108.31992	0.6
109.02869	1.3
109.06515	5.7
109.10147	69.1
111.04433	4.7
111.08096	5.7
115.03906	1.1
116.04697	14.4
117.06986	6.9
119.08561	13.1
121.06493	2.7
121.10104	7.9
123.08035	4.2
125.05952	0.8
125.09610	25.1
125.10534	0.9
127.03867	1.1
127.11175	3.1
129.05457	30.7
129.06987	4.4
131.08510	8.0
133.06502	0.9
133.10147	7.9
135.08049	3.6
135.11720	5.1
137.09593	6.0
139.07474	0.8
142.07771	1.0
143.07013	7.5
143.10696	1.5
145.06468	0.8
145.10132	6.0
147.08060	1.2
147.11676	4.8
149.09612	3.5
151.11226	0.9
153.08998	0.7
153.12723	1.3
155.10667	2.6
157.08571	15.9
157.10114	4.2
158.05714	1.0
163.11119	8.6
171.06508	3.7
171.10135	4.7
173.09592	0.7
173.10223	1.0
173.11710	17.7
175.11140	1.5
181.12257	1.0
185.08043	2.6
185.11751	0.8
189.11180	7.5
191.10602	1.2
193.12230	4.4
199.09679	3.3
199.13263	13.5
200.14072	3.2
209.11638	6.3
211.13319	2.7
217.14427	1.3
223.13196	1.5
227.12752	10.6
229.14326	42.6
241.14357	1.5
242.15105	0.9
249.14659	0.8
255.15782	3.1
267.15936	5.2
271.15189	1.0
283.15369	8.6
283.18616	1.7
285.17145	0.9
301.16394	27.2
311.18472	0.7
315.17932	3.4
326.24573	1.1
383.24313	1.4
421.25650	2.8
425.25272	1.2
437.25290	2.8
438.26114	3.2
439.26733	1.0
443.26053	3.2
455.26334	32.0
509.26880	0.8
541.29889	20.5
559.30902	11.9
634.75171	0.9
706.15521	0.8
787.25647	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	756.4007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.6
55.01859	17.7
55.05503	54.2
56.30225	2.2
57.03428	39.2
57.07081	3.2
59.82846	2.5
61.02917	5.3
65.03923	3.8
67.05154	4.2
67.05491	100.0
69.03399	18.4
69.07052	23.1
71.01320	3.5
71.04964	14.6
73.02869	3.9
75.22327	2.7
77.72552	2.6
79.05468	67.6
81.03403	64.0
81.07030	71.4
83.04970	33.6
83.08605	35.6
85.02893	20.3
85.06519	4.2
87.04440	3.3
91.05457	72.0
93.07016	54.7
95.04948	35.3
95.08573	24.0
97.02855	26.8
97.06492	17.3
97.10136	19.7
98.07286	5.8
99.04447	3.7
102.45957	3.2
105.07009	37.0
107.04937	20.9
107.08585	32.2
109.02876	3.8
109.06490	11.5
109.10140	32.9
111.04430	22.2
111.08035	5.9
116.04684	6.1
117.07006	15.5
119.08558	27.9
121.06477	5.5
121.10106	38.7
123.04384	4.5
123.08040	6.6
123.11675	4.6
125.09594	11.8
127.03918	5.0
127.64381	2.6
129.05469	22.8
129.06984	10.8
131.08513	21.9
133.10103	20.5
135.08032	4.3
135.11679	17.5
137.09567	5.3
139.11174	4.6
143.08539	3.1
145.10123	18.8
146.22443	3.0
147.08084	4.0
147.11665	7.3
149.09589	16.9
151.11142	3.7
153.12755	3.4
155.08504	4.3
157.08516	12.3
157.10063	13.1
163.11159	21.2
168.06799	2.8
173.09630	6.0
175.11137	12.9
179.10536	2.6
191.10686	4.6
193.12224	16.2
199.13304	3.8
209.11678	57.7
211.13275	14.9
227.12689	12.6
229.14330	12.4
241.14255	7.2
267.15842	13.4
283.15234	25.7
285.16785	3.7
286.45752	3.1
301.16373	28.7
459.27036	5.2
491.26520	3.4
509.27228	15.4
527.28253	13.4
559.30322	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	756.4003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.2
55.01594	1.0
55.01863	27.5
55.05502	73.2
57.03427	38.8
57.07058	5.5
59.04988	41.2
59.92632	0.9
61.02913	10.0
64.32839	1.0
65.03920	2.1
67.05489	100.0
69.03407	10.7
69.07049	20.1
71.04973	21.1
73.02909	7.8
79.04517	1.1
79.05471	49.3
80.47387	0.9
81.03403	24.2
81.07038	47.1
82.04170	4.3
83.04957	25.0
83.08599	23.9
85.02879	11.5
85.06527	4.4
86.09651	1.2
87.04447	38.0
91.03942	1.9
91.05463	32.3
93.07030	26.7
93.07578	2.0
95.04944	22.0
95.08584	23.0
97.02885	9.4
97.03410	1.1
97.06509	10.0
97.10145	38.4
98.07323	8.7
99.04429	25.4
101.05996	1.5
105.07008	13.7
107.04909	9.0
107.08574	23.6
109.06494	4.4
109.09382	2.3
109.10133	66.1
111.04440	6.1
111.08069	8.5
115.03913	1.5
116.04707	14.7
117.05492	1.7
117.07001	5.7
119.08571	16.0
121.06473	4.8
121.10136	9.4
121.41632	1.1
123.04385	1.2
123.08057	6.0
125.05961	1.7
125.09602	32.9
127.07517	1.3
127.11189	1.6
129.05455	35.3
129.06987	5.2
131.08530	5.6
133.10115	7.4
135.08092	2.6
135.11656	8.3
137.09625	4.3
139.07547	1.2
143.07007	6.4
145.10139	8.3
147.08035	1.8
147.11685	6.4
149.09557	2.6
151.11168	1.2
153.09042	1.2
153.12709	5.9
155.10660	4.8
157.08569	15.2
157.09937	2.2
158.05724	1.9
163.11171	11.2
171.06476	4.7
171.10149	4.7
171.11679	1.1
172.22093	1.1
173.09573	1.4
173.11696	15.6
175.11179	4.8
181.12198	4.2
184.07260	1.8
185.08003	1.2
189.11194	5.9
191.10626	1.9
193.12236	5.6
199.09659	2.4
199.13284	14.9
200.14107	1.8
209.11670	10.4
211.13318	1.4
217.14308	4.6
223.13466	1.4
227.12685	15.4
229.14320	39.6
241.14383	1.6
255.15939	4.8
267.15906	6.4
283.15344	7.6
301.16382	30.5
315.17947	5.4
346.09186	1.2
377.10541	1.1
421.25882	1.4
425.25159	1.3
437.25287	4.9
443.26419	4.4
455.26300	24.4
541.30005	18.4
559.31335	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	756.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.4
53.03936	2.4
55.01863	23.0
55.05502	64.0
57.03143	1.3
57.03425	39.9
57.07061	4.8
59.04987	37.1
61.02910	8.6
65.03908	1.9
67.05489	100.0
69.03412	13.4
69.07055	16.8
70.39233	1.0
71.01339	1.8
71.04973	19.2
73.02905	10.6
76.55735	1.1
79.05470	48.4
81.03397	27.0
81.07030	42.7
82.04182	1.9
82.07327	1.1
83.04967	24.6
83.08598	22.6
84.02174	1.2
85.02895	16.0
85.06525	6.6
86.09675	1.8
87.04444	38.6
91.05457	33.0
93.07021	31.1
95.04938	20.1
95.08582	16.7
96.05748	1.1
97.02867	11.0
97.06501	10.9
97.10139	38.6
98.07288	6.4
99.04435	27.2
101.06027	1.6
102.96229	1.0
105.04535	1.2
105.07023	15.2
107.04951	9.8
107.08570	25.0
109.02848	1.7
109.06492	5.7
109.10134	65.5
111.04445	7.6
111.08035	8.8
115.03918	2.0
116.04682	15.1
116.26275	1.0
117.06988	9.0
119.08554	15.5
119.49797	1.2
121.06445	5.2
121.10102	8.4
123.04453	1.9
123.08046	5.8
124.99990	1.6
125.09593	32.6
127.03864	1.7
127.07576	1.3
127.11204	1.1
129.05440	36.3
129.06966	3.9
131.08539	7.9
133.10104	8.2
135.08023	4.8
135.11665	7.6
137.09599	4.9
143.07002	8.0
143.10580	1.4
145.10114	9.0
147.08104	2.2
147.11694	5.1
149.09593	4.1
153.09100	1.2
153.12721	4.1
155.08473	1.1
155.10628	1.8
157.08565	16.6
157.10013	2.3
158.05727	2.0
163.11156	9.8
171.06471	4.0
171.10143	4.1
173.09619	1.4
173.10146	1.0
173.11700	16.9
175.11237	1.1
184.07321	5.9
185.08122	1.1
189.11182	7.3
191.10620	1.6
193.12196	5.7
199.09666	2.3
199.13261	13.0
200.14034	1.2
209.11749	12.0
217.14343	1.4
223.13232	2.0
227.12732	9.3
229.14284	38.5
241.14256	2.1
255.15962	2.4
267.15842	8.5
271.15256	1.6
283.15375	11.2
283.18280	1.3
301.16428	26.1
315.17966	5.2
333.19342	1.3
371.24283	1.2
437.25180	3.9
438.26199	2.3
443.26364	5.5
455.26324	22.0
519.72729	1.1
541.29858	19.0
559.30780	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	754.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	0.7
53.03938	5.8
53.76842	0.6
55.01855	3.8
55.05504	29.6
56.23182	0.5
57.03428	11.4
57.07052	3.2
61.02911	1.1
65.03915	3.4
67.05489	67.3
69.03403	1.5
69.07050	18.7
71.04961	4.9
73.06519	1.0
79.05470	94.3
81.03409	8.7
81.07034	69.5
83.04514	1.0
83.04961	15.1
83.08608	7.6
85.02892	0.8
85.06509	4.3
87.04401	0.7
91.05457	100.0
93.07019	97.0
95.04939	25.3
95.08577	39.2
97.06495	4.5
97.10137	3.4
99.08053	1.6
103.05443	2.6
105.04491	3.8
105.07007	89.7
107.04932	8.1
107.07860	1.3
107.08572	36.0
109.06514	7.8
109.10143	10.7
111.08040	1.4
113.09599	0.9
115.05406	3.4
117.06986	24.7
119.08556	67.1
121.06475	4.4
121.10120	16.3
123.08035	5.1
123.11668	1.2
125.09583	0.8
127.07522	0.7
128.06198	5.8
129.06978	27.5
130.07748	0.9
131.08530	23.4
133.06444	1.6
133.10097	44.3
135.07993	2.9
135.11656	14.8
137.09581	1.5
141.06895	2.5
142.07719	2.6
143.08531	16.6
145.06483	1.1
145.10097	24.4
147.07994	3.9
147.11655	52.6
149.09618	1.1
149.13219	6.3
155.08507	3.2
156.09261	1.1
157.10094	8.6
157.16599	0.6
159.11659	16.4
161.09569	4.1
161.13228	26.6
163.11185	2.7
163.14728	1.5
165.12738	0.7
169.10097	4.0
171.11638	29.5
173.09532	0.7
173.13220	8.9
175.11183	0.8
175.14781	8.0
177.12766	2.7
181.10138	1.6
183.11630	3.5
185.13203	9.3
187.11197	0.7
187.14781	1.5
189.12752	7.2
195.11650	1.1
197.13144	1.5
199.14806	4.7
207.13737	12.4
211.14830	0.9
213.16299	0.8
231.20987	4.0
241.19443	17.9
243.20950	0.8
257.19016	2.5
259.20505	40.2
261.22031	1.1
273.39725	0.7
279.15851	9.5
281.17374	38.7
315.23099	3.8
331.22375	1.0
333.24182	30.8
432.86096	0.7
439.36264	0.7
447.32614	5.6
465.33429	4.8
483.34235	3.1
521.36127	1.3
527.35883	0.7
539.37213	60.2
557.38324	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	755.4205
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.5
53.03939	2.3
54.76934	1.1
55.01862	8.4
55.05507	16.5
57.03415	8.6
61.71570	1.0
67.05493	23.7
68.65151	1.5
69.03416	2.7
69.07043	6.2
75.92224	1.3
77.39828	1.1
77.53145	1.2
77.82834	1.2
78.06213	1.3
79.05004	1.8
79.05475	47.3
80.86977	1.2
81.03402	19.1
81.07037	100.0
82.39314	1.5
83.04971	12.7
83.08609	10.6
85.02876	11.7
85.06554	1.6
91.05469	28.9
93.07011	19.0
95.04939	19.4
95.08575	12.4
97.02870	2.5
97.06490	2.7
97.10131	6.4
99.04406	1.6
103.05475	2.1
105.07019	20.6
106.62154	1.7
107.04923	8.5
107.08601	10.0
109.06497	39.7
109.10143	5.3
111.04408	5.2
111.08067	5.0
117.06969	11.7
119.08539	22.5
121.06470	7.1
121.10107	7.2
123.08063	2.5
125.09602	5.7
129.07024	12.0
131.05090	1.5
131.08528	11.0
133.06499	2.8
133.10089	8.3
135.08026	1.7
135.11649	2.1
142.07576	1.3
143.08545	2.4
145.10085	8.5
147.08011	9.2
147.11682	5.7
149.09601	3.3
153.12762	2.6
157.10135	6.2
159.08165	1.4
159.11589	3.5
161.09590	8.2
163.11147	3.1
174.02988	1.4
175.11188	3.2
179.75601	1.5
193.12186	6.5
199.85075	1.6
211.13322	8.6
227.12842	1.7
249.14784	5.9
254.76804	1.7
255.17480	1.9
267.15820	6.3
273.18338	13.0
282.67053	1.5
285.16946	8.8
291.19489	42.6
297.88370	1.5
347.22107	6.8
365.23120	10.9
391.20038	1.6
539.33368	5.4
557.34363	14.1
575.35767	15.9
720.08069	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.4728
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	7.0
55.01867	3.4
55.05506	44.7
57.03427	24.6
57.07083	5.5
59.04986	3.4
61.02915	7.2
63.78715	1.5
65.03947	2.2
67.05140	3.8
67.05493	100.0
69.03412	9.7
69.07058	26.8
69.57564	1.5
71.04971	4.1
71.92347	1.7
73.02919	2.7
74.23696	1.7
79.05475	75.4
81.03383	13.5
81.07040	79.1
82.95474	1.6
83.04954	6.0
83.08601	19.6
84.34129	1.5
85.02880	13.8
85.06521	2.3
86.09687	2.5
91.03947	2.4
91.05460	41.9
92.09309	7.1
93.07028	76.7
93.93526	1.7
95.04954	26.4
95.08591	52.3
97.02891	6.2
97.06539	2.7
97.10168	16.9
105.07011	31.7
107.04967	9.2
107.08579	41.6
109.06488	3.9
109.10143	42.5
110.68194	1.9
111.08092	3.4
117.07014	18.3
119.08568	22.0
120.98494	1.5
121.06499	7.4
121.10136	21.2
123.11681	4.0
125.09623	10.1
129.07007	3.9
131.08553	19.0
133.10094	15.5
135.08034	2.0
135.11684	15.3
141.06989	2.1
143.08592	3.7
145.06393	2.1
145.10068	14.2
147.11678	7.4
149.09619	2.3
149.13284	8.1
157.10123	2.7
159.11671	15.4
161.09630	2.1
161.13177	3.2
163.11172	2.0
169.10074	3.3
173.11812	2.8
173.13266	6.8
177.12711	3.2
184.07227	7.5
189.11212	7.9
205.12157	2.9
223.13263	44.9
227.12834	3.2
229.14314	3.2
243.21028	1.8
261.22110	6.9
297.16949	57.0
335.25723	53.3
489.35727	18.1
539.37183	3.1
557.38318	48.0
588.82880	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	754.4715
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
53.75657	1.7
54.63475	1.7
55.01864	2.7
55.05504	44.9
55.84280	1.6
57.03426	21.1
57.07056	8.6
59.04979	2.3
60.90118	1.7
61.02925	4.9
67.05487	100.0
69.03431	4.3
69.07051	17.3
71.04970	2.5
71.08607	3.2
79.05474	54.8
81.03402	14.8
81.07039	70.9
83.04958	2.9
83.08588	15.3
85.02895	10.4
85.06538	2.6
86.09677	16.2
91.05460	33.9
93.07019	52.9
93.07565	2.9
94.27452	1.8
95.04951	22.3
95.08585	44.0
97.02856	2.8
97.06503	2.6
97.10142	13.0
105.07004	25.1
107.04950	8.5
107.08585	34.8
109.02787	2.0
109.06483	8.6
109.10144	40.8
112.12695	1.9
117.06985	17.5
119.08598	17.7
121.06515	2.6
121.10107	17.9
123.08044	2.9
123.11681	4.5
124.99995	10.5
125.09631	9.0
126.40993	1.7
131.08563	13.0
133.10103	11.5
135.11707	8.6
137.09595	3.3
145.10117	12.4
147.11679	3.5
149.09575	2.0
149.13264	3.0
157.10120	2.6
159.11702	12.3
163.11151	1.8
169.01816	1.9
170.89876	2.3
173.11754	3.3
173.13197	7.7
184.07306	42.7
189.11267	3.3
208.28528	1.9
223.13272	27.4
229.14296	7.1
261.22000	4.1
297.16876	30.8
313.27258	8.9
335.25708	62.4
335.29688	2.1
391.16226	2.3
400.96579	2.1
489.35712	23.9
539.38318	2.7
541.81525	2.1
557.38226	45.1
575.39886	3.1
765.65460	2.3
771.62390	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	754.4369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.8
55.01864	12.4
55.05500	18.4
57.03431	9.5
65.03920	1.0
67.05492	23.1
69.03400	1.0
69.07047	16.4
71.04972	3.5
79.05470	30.2
81.03391	10.4
81.07035	36.7
83.01324	6.6
83.04958	12.8
83.08603	12.5
85.02894	1.5
85.06551	1.3
91.05457	39.5
93.06477	1.7
93.07018	28.7
95.01299	4.0
95.04930	8.2
95.08577	19.7
95.60550	0.9
97.02857	0.9
97.06497	14.3
97.10153	2.1
99.04408	1.1
99.08037	1.0
105.04492	0.9
105.07006	49.0
107.04927	13.6
107.08579	18.2
109.06489	5.9
109.10127	6.9
111.04382	1.3
111.08080	2.0
116.34964	0.8
117.07002	15.7
119.08557	25.0
121.06467	4.3
121.10114	8.8
123.08024	5.2
123.11700	1.1
125.05975	1.2
125.09613	1.5
126.65907	1.0
129.06960	3.9
130.07771	1.5
131.08548	14.5
133.10088	21.1
135.08002	1.6
135.11668	11.3
137.09579	1.8
143.08514	1.3
145.10089	18.1
147.08055	1.8
147.11687	10.5
149.09604	2.0
149.13235	1.4
153.12582	1.0
155.08453	1.0
157.10123	1.8
159.11668	5.9
161.13203	1.9
163.11154	17.8
165.09085	0.9
168.72684	0.8
173.09576	1.0
173.13199	1.4
175.11180	1.2
177.12698	1.3
179.14308	7.6
181.12184	1.2
183.11618	1.3
187.11116	1.0
209.11664	1.8
229.19321	0.9
257.18930	1.6
275.20013	24.3
283.15338	46.0
349.23749	12.3
513.13940	0.9
539.33252	1.2
557.34552	100.0
558.34760	3.4
575.34937	1.6
670.09247	1.2
670.35529	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	754.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	4.8
55.01852	11.7
55.05506	36.8
56.31272	2.4
56.72524	2.7
57.03420	22.1
57.07064	3.5
59.04977	3.6
65.03914	3.5
67.05494	66.7
69.03403	21.8
69.07061	30.5
71.04967	17.2
73.02898	6.0
79.05479	57.4
81.03400	82.7
81.07040	100.0
83.04977	24.9
83.08597	19.3
85.02885	6.9
91.05465	59.4
93.07028	40.7
95.04964	29.8
95.08587	32.6
97.02867	5.7
97.06494	17.0
97.10140	12.0
98.03635	3.6
99.04435	5.3
103.05499	3.1
105.07009	51.7
107.04951	27.9
107.08578	27.1
109.02869	5.6
109.06507	16.9
109.10130	20.2
111.04434	6.9
111.08083	6.5
113.05956	3.3
113.09560	3.5
117.06994	6.3
119.08560	43.4
121.10112	35.1
123.08038	11.6
123.11707	23.9
125.09618	12.2
127.03892	5.4
129.05450	18.2
129.06966	5.3
131.04826	3.7
131.08560	14.8
133.10112	6.4
135.08044	3.7
135.11667	3.8
143.08510	3.1
145.06442	4.1
145.10121	16.7
147.08020	2.8
147.11662	54.0
149.09596	5.3
153.09138	3.5
153.12730	4.0
157.10069	5.9
163.11159	5.9
165.12756	23.4
173.04436	6.8
175.11093	5.6
186.89539	2.7
189.11261	3.4
193.12206	12.1
193.68053	3.0
201.05455	6.6
202.05734	5.6
209.11626	3.7
211.13354	5.8
213.73209	2.9
227.12677	4.9
229.14293	3.5
244.28613	3.1
267.15872	51.2
283.05963	4.3
283.15408	6.3
285.06403	4.4
285.17038	21.4
293.12317	2.9
439.26740	35.4
478.84641	3.5
493.27841	5.8
511.28622	21.7
541.43109	4.0
610.65302	3.6
639.33521	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	754.4214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	9.5
55.01853	11.5
55.05507	36.8
56.78675	1.7
57.03424	19.3
57.07056	1.7
59.04981	2.5
63.85687	1.6
67.05490	48.4
67.29411	1.6
69.03416	18.4
69.07047	10.7
71.01316	1.7
71.04987	15.4
73.02906	2.2
76.28313	1.5
79.05476	44.9
81.03400	100.0
81.07038	45.1
83.01286	1.7
83.04965	25.0
83.08601	24.6
85.02885	25.0
85.06528	2.8
86.39730	1.7
89.50081	1.5
91.05461	45.0
93.07027	32.3
94.45166	1.5
95.04946	37.5
95.08576	21.2
97.02880	18.6
97.06493	12.4
97.10145	16.4
98.03649	11.1
99.04422	2.7
105.07018	25.9
107.04931	15.7
107.08595	19.9
109.02843	7.5
109.06483	8.2
109.10130	15.6
109.40660	1.6
110.07300	6.6
111.04423	7.8
111.08042	8.9
113.05975	6.9
115.17968	1.7
116.04678	2.7
117.07010	6.9
119.08565	32.6
121.06458	3.6
121.10129	13.1
123.04383	4.1
123.08004	3.4
123.11640	1.9
125.05978	3.5
125.09606	9.3
127.03887	7.2
128.06174	1.9
129.05481	3.3
129.06992	14.6
131.08560	19.8
131.09378	2.4
133.06471	2.0
133.10098	13.4
135.08026	3.2
135.11694	3.7
137.09517	2.3
142.07721	2.3
143.08517	1.9
145.10104	6.6
147.07974	2.9
147.11642	20.9
149.09593	6.6
153.09059	3.1
153.12697	6.4
157.10042	14.3
163.11157	10.4
167.41760	1.9
171.09970	2.6
173.04405	12.7
173.11719	6.0
175.11154	9.2
181.12158	2.6
189.11127	2.8
191.10738	2.1
193.12218	29.1
199.06013	3.1
209.11678	3.6
209.74142	1.8
211.13254	32.6
213.02106	2.0
227.12828	7.3
229.14137	2.0
267.15851	14.8
283.15363	2.9
285.16959	22.7
421.25690	8.2
439.26794	48.0
475.26968	3.1
477.28595	3.0
493.27832	10.1
511.28964	13.0
639.33014	5.8
655.32898	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	753.4063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	2.6
53.03936	11.6
55.01875	27.0
55.05504	56.4
57.03436	23.6
57.07060	6.2
60.33363	2.6
67.05494	90.8
69.03419	33.7
69.07057	25.7
69.82935	2.6
71.01331	4.9
71.04981	12.4
72.55300	3.3
73.02899	4.8
73.06505	3.0
79.05485	71.8
81.03407	100.0
81.07045	91.5
83.04960	36.5
83.08611	34.9
83.39185	3.3
85.02899	25.8
91.05460	63.8
93.07027	60.7
95.04965	42.2
95.08118	3.2
95.08601	38.7
97.02892	31.5
97.06521	20.1
97.10164	25.2
98.03687	4.3
99.04446	12.5
105.07022	41.8
105.12267	3.1
107.04945	35.2
107.08598	39.1
109.02886	15.6
109.06514	18.5
109.10134	42.6
111.04445	20.4
111.08081	12.3
117.07018	20.7
119.08576	43.5
120.08862	3.2
121.06463	13.8
121.10143	6.7
123.04453	4.0
123.08036	18.3
125.06065	4.9
125.09631	22.0
127.03873	14.2
129.05432	3.6
129.07007	16.8
131.08595	26.5
133.06482	12.8
133.10115	17.4
135.04414	4.4
135.08037	7.3
135.11670	15.1
137.05922	3.5
137.09579	6.4
143.08585	4.7
145.10121	21.0
147.08043	7.6
147.11700	14.5
149.09625	14.3
153.09137	3.2
153.12740	12.2
157.10112	13.0
159.08043	5.5
159.11633	3.8
161.09613	4.7
163.09970	3.3
163.11116	23.7
173.04410	4.6
173.09532	4.4
173.11725	3.6
175.11137	4.5
189.11153	6.9
191.10597	4.1
193.12260	23.6
209.11748	4.6
211.13284	20.8
227.12756	12.5
229.14391	15.5
267.15768	4.3
271.17004	3.4
271.49652	3.4
273.18576	13.3
274.90497	3.6
275.20020	4.6
283.15387	14.4
291.19611	19.1
365.23212	5.9
437.25589	11.0
438.25781	5.3
439.26871	4.0
519.32983	6.0
573.34418	6.0
591.34833	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	753.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.8
53.03937	10.3
54.81244	1.3
54.83205	1.3
55.01866	15.1
55.05503	29.4
57.03429	17.8
57.17578	1.3
57.25570	1.6
59.98198	1.5
61.76862	1.3
64.32964	1.6
65.03922	2.7
67.05495	49.8
68.99755	1.7
69.03419	11.1
69.07057	15.0
71.04970	9.1
79.05473	62.1
81.03401	55.8
81.07039	100.0
83.04971	18.1
83.08588	12.9
85.02894	10.1
85.06506	2.0
86.06336	1.5
91.05463	39.3
93.07027	31.9
95.01296	1.7
95.04939	38.8
95.08588	21.0
97.02874	9.6
97.06519	4.2
97.10147	7.3
99.04459	3.1
99.08049	1.9
105.07014	34.6
107.04932	24.3
107.08559	17.1
109.02875	6.5
109.06509	41.8
109.10158	17.5
111.04436	9.8
111.08077	4.2
115.05438	3.4
117.06992	11.5
119.04958	3.4
119.08569	29.9
121.02836	2.8
121.06475	10.7
121.10153	12.3
122.07271	1.9
123.04408	3.4
123.08038	6.1
125.09617	7.6
127.03879	2.2
128.06172	2.6
129.05476	2.8
129.06995	13.3
131.08545	16.1
133.06468	7.0
133.10120	11.7
135.08044	7.6
135.11703	6.8
135.69862	1.8
137.05963	2.8
137.09625	9.1
141.07025	2.9
143.08513	5.7
145.06432	2.4
145.10078	14.7
147.08017	8.1
147.11690	13.4
148.49805	1.8
149.09602	4.1
151.11092	1.8
153.09097	2.6
157.08607	3.9
157.10121	8.9
159.11702	3.0
161.09587	11.1
161.13240	2.2
163.07576	1.8
163.11139	7.1
169.10149	2.6
171.08005	2.3
171.11705	2.6
173.04417	3.4
173.09537	2.2
175.11165	6.4
185.13277	1.8
189.11200	3.4
193.12202	8.5
211.11230	2.0
211.13249	6.9
227.12878	2.9
229.14203	2.2
233.15442	2.1
254.09230	2.4
267.15945	7.0
273.18457	12.3
279.44644	2.1
283.15359	2.1
285.17053	2.1
291.19528	18.4
347.22156	3.4
359.12585	1.9
365.23065	3.2
381.22705	6.9
429.20923	2.1
543.36823	2.7
544.36987	2.3
557.34668	2.2
562.37177	2.0
573.34003	10.4
735.39355	5.9
753.49091	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	753.4055
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.8
53.03937	10.3
54.81244	1.3
54.83205	1.3
55.01866	15.1
55.05503	29.4
57.03429	17.8
57.17578	1.3
57.25570	1.6
59.98198	1.5
61.76862	1.3
64.32964	1.6
65.03922	2.7
67.05495	49.8
68.99755	1.7
69.03419	11.1
69.07057	15.0
71.04970	9.1
79.05473	62.1
81.03401	55.8
81.07039	100.0
83.04971	18.1
83.08588	12.9
85.02894	10.1
85.06506	2.0
86.06336	1.5
91.05463	39.3
93.07027	31.9
95.01296	1.7
95.04939	38.8
95.08588	21.0
97.02874	9.6
97.06519	4.2
97.10147	7.3
99.04459	3.1
99.08049	1.9
105.07014	34.6
107.04932	24.3
107.08559	17.1
109.02875	6.5
109.06509	41.8
109.10158	17.5
111.04436	9.8
111.08077	4.2
115.05438	3.4
117.06992	11.5
119.04958	3.4
119.08569	29.9
121.02836	2.8
121.06475	10.7
121.10153	12.3
122.07271	1.9
123.04408	3.4
123.08038	6.1
125.09617	7.6
127.03879	2.2
128.06172	2.6
129.05476	2.8
129.06995	13.3
131.08545	16.1
133.06468	7.0
133.10120	11.7
135.08044	7.6
135.11703	6.8
135.69862	1.8
137.05963	2.8
137.09625	9.1
141.07025	2.9
143.08513	5.7
145.06432	2.4
145.10078	14.7
147.08017	8.1
147.11690	13.4
148.49805	1.8
149.09602	4.1
151.11092	1.8
153.09097	2.6
157.08607	3.9
157.10121	8.9
159.11702	3.0
161.09587	11.1
161.13240	2.2
163.07576	1.8
163.11139	7.1
169.10149	2.6
171.08005	2.3
171.11705	2.6
173.04417	3.4
173.09537	2.2
175.11165	6.4
185.13277	1.8
189.11200	3.4
193.12202	8.5
211.11230	2.0
211.13249	6.9
227.12878	2.9
229.14203	2.2
233.15442	2.1
254.09230	2.4
267.15945	7.0
273.18457	12.3
279.44644	2.1
283.15359	2.1
285.17053	2.1
291.19528	18.4
347.22156	3.4
359.12585	1.9
365.23065	3.2
381.22705	6.9
429.20923	2.1
543.36823	2.7
544.36987	2.3
557.34668	2.2
562.37177	2.0
573.34003	10.4
735.39355	5.9
753.49091	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	752.5145
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.7
53.79317	1.2
55.01857	1.6
55.05499	13.9
57.03424	24.9
57.07063	45.7
60.08147	2.5
61.02914	1.5
67.05492	20.0
68.74306	1.3
69.03412	1.9
69.07046	12.3
71.08610	30.6
71.53584	1.2
79.05459	10.9
81.03394	97.1
81.07027	26.6
83.04964	2.8
83.08595	26.1
85.06451	1.6
85.10168	18.0
86.09689	20.9
91.05458	19.8
93.07017	8.6
95.04940	26.2
95.08580	24.7
97.06487	1.5
97.10130	10.1
100.49006	1.5
103.07613	1.6
105.07018	14.6
105.86551	1.4
107.04942	7.3
107.08559	6.3
109.06511	2.8
109.10138	13.1
111.08076	5.8
117.06961	2.4
119.08559	13.0
121.06499	1.9
121.10133	2.9
123.07996	1.7
123.11674	1.5
124.99955	17.4
129.06975	10.1
131.08545	7.4
133.06534	1.3
133.10049	4.5
147.08017	2.0
147.11652	8.7
149.09579	3.0
157.10103	13.5
163.41928	1.5
165.12750	1.7
175.11137	10.5
184.07301	48.2
184.08939	1.7
193.12195	24.4
222.92345	1.2
239.23799	1.5
257.24542	2.0
267.15833	100.0
304.26141	1.9
313.27301	87.4
505.38745	76.0
506.39151	1.7
523.40320	1.9
636.87488	1.6
652.89813	1.5
688.44684	7.0
755.05945	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.5148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.0
53.03923	3.3
55.01851	1.7
55.05509	11.3
56.91199	0.8
57.03147	0.9
57.03426	23.7
57.07068	44.2
64.33722	0.7
67.05494	22.5
69.03400	3.1
69.07056	12.0
71.04936	1.0
71.08612	29.0
78.83846	0.7
79.05480	13.1
81.03399	100.0
81.06598	1.4
81.07038	26.9
83.04964	4.6
83.08603	25.6
85.02873	0.8
85.10166	16.7
86.09692	5.3
88.06554	0.7
89.05995	1.0
89.42844	0.7
90.20348	0.7
91.05460	18.0
93.07033	8.3
95.04400	1.4
95.04950	26.9
95.08019	1.3
95.08591	25.3
97.02874	2.7
97.06505	0.9
97.10136	5.8
103.07513	0.8
105.07020	11.6
107.04940	7.5
107.08594	5.8
109.06493	3.3
109.10123	10.4
111.04469	1.1
111.08054	9.0
111.11694	1.0
115.05476	0.8
117.07006	0.8
119.08546	16.5
121.06487	1.7
121.10123	6.6
123.08006	1.5
123.11665	4.6
124.99966	2.9
129.06978	8.9
131.08528	8.4
133.06447	3.6
133.10085	4.9
135.11650	0.9
137.09596	1.2
137.13213	1.0
142.07791	1.4
145.10077	1.4
147.04399	1.2
147.08012	4.3
147.11665	9.7
149.09587	3.8
157.10098	11.7
165.12653	0.8
175.11128	10.3
184.07344	12.4
193.12209	32.1
239.23581	1.8
249.14880	1.7
257.24646	3.5
267.15860	97.4
304.26300	1.7
313.27310	95.3
431.91019	1.0
505.38776	83.9
506.39029	2.9
523.39575	1.7
529.09656	1.0
547.39557	1.3
601.40204	1.0
631.41766	1.1
649.44348	0.8
688.44653	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.1
53.00542	0.7
53.03925	1.7
54.53458	0.7
55.01852	2.8
55.05497	10.7
56.58456	0.6
57.03170	0.9
57.03424	22.0
57.07064	46.5
67.05141	1.0
67.05489	21.9
69.03403	1.8
69.07049	12.1
71.01325	2.9
71.04961	1.3
71.08245	1.1
71.08614	29.5
73.02871	0.9
79.05470	13.4
81.03394	89.9
81.07030	25.9
82.03729	0.8
83.04955	5.9
83.08104	1.3
83.08597	26.5
85.02877	5.6
85.10165	17.4
89.06016	1.1
91.05460	18.3
93.07025	9.5
95.04940	23.2
95.08581	25.7
97.02859	4.9
97.06496	1.3
97.10129	7.1
105.07016	13.0
107.04950	7.1
107.08575	6.8
109.06501	3.6
109.10136	13.4
111.04382	2.8
111.08070	6.3
111.11652	1.0
113.02320	0.8
117.06967	1.1
119.08556	13.5
121.06462	1.8
121.10122	6.7
123.04393	4.0
123.08060	2.9
123.11666	3.2
127.52206	0.7
129.06982	11.8
131.08521	8.9
133.06468	3.5
133.10074	4.9
135.08043	0.8
135.11674	1.3
137.09616	1.5
137.13199	1.3
141.01836	1.5
142.07701	2.8
143.08586	1.1
145.10112	1.4
147.04411	1.0
147.08011	3.4
147.11678	8.5
149.09630	5.3
157.10091	11.0
161.09477	1.0
163.11169	1.3
165.12697	1.0
175.11121	9.0
186.37260	0.8
193.12213	29.7
205.12296	1.0
211.13239	1.8
235.13264	3.9
239.23602	3.0
249.14845	1.6
257.24637	2.9
267.15848	85.4
268.16089	1.3
277.14243	1.3
289.14206	1.5
309.16794	1.3
313.27304	100.0
314.27695	2.8
315.12183	1.0
443.19061	1.7
489.30630	1.2
505.38770	79.2
506.38809	1.8
523.39514	3.2
547.39282	4.0
601.40625	1.0
626.79144	0.7
627.38000	0.9
645.39966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4341
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
54.81388	2.2
55.01863	7.3
55.05507	18.5
57.03431	4.4
57.07065	9.3
67.05491	36.2
69.03424	2.6
69.07047	16.1
71.04980	3.9
71.08605	3.8
79.05473	32.6
81.03399	73.4
81.07039	38.1
83.04962	10.8
83.08620	15.3
85.02920	1.7
85.06543	2.0
85.10173	13.0
91.05460	39.6
93.07030	27.5
95.04948	34.5
95.08592	22.5
97.02900	1.6
97.06495	6.6
97.10137	3.1
99.08069	3.6
100.99290	1.6
105.07008	29.3
107.04935	16.8
107.08592	15.6
109.02856	1.9
109.06535	7.6
109.10136	11.7
111.08060	6.6
113.09638	9.1
115.05433	2.3
117.07009	3.1
119.08545	18.5
121.06496	2.2
121.10133	10.3
123.08024	2.6
125.09612	3.3
127.04011	1.6
129.07007	12.5
131.04875	3.1
131.08556	18.1
133.06432	1.7
133.10114	16.9
135.11703	2.9
137.05966	1.9
137.09599	2.9
142.07753	2.1
145.10115	7.7
147.08066	2.7
147.11702	8.6
149.09576	7.3
149.13277	2.2
151.11200	2.7
154.87268	1.6
157.10117	10.5
159.16840	2.0
163.11140	3.7
165.05499	7.9
165.12695	19.8
171.11652	2.2
175.11189	4.0
179.14345	2.5
193.12215	11.8
193.87672	1.9
236.16440	9.9
267.15930	8.6
269.08038	2.9
277.21539	11.3
295.22592	15.1
320.26135	2.3
461.28918	17.0
543.36719	44.8
561.37750	100.0
562.38446	2.6
584.29602	9.5
684.38623	2.8
702.39655	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	752.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.7
53.03936	3.0
53.92876	0.5
55.01869	14.7
55.05264	1.0
55.05503	13.7
57.03424	4.4
60.36758	0.6
65.03921	1.1
67.05145	1.2
67.05493	31.9
69.03407	0.9
69.06709	1.1
69.07056	18.0
71.04965	1.3
73.06538	0.6
74.09690	0.5
79.05476	42.6
81.03388	7.6
81.07040	40.7
81.07532	1.0
83.04962	9.1
83.08592	5.5
85.06546	1.4
91.05462	49.8
92.08572	1.4
93.07024	34.7
95.01300	6.1
95.04945	13.8
95.08009	1.0
95.08585	23.3
97.02905	0.8
97.06508	24.9
97.10155	2.6
102.88874	0.6
103.05465	0.8
105.07014	55.6
106.07337	0.8
107.04946	15.1
107.08585	16.2
109.06495	4.3
109.10137	6.4
111.04379	0.7
111.08002	1.0
114.36480	0.6
117.06992	11.0
119.08567	29.2
121.06449	2.4
121.10164	5.5
123.04379	1.0
123.08035	3.6
128.06210	1.6
129.06972	6.5
131.08543	12.7
133.06427	0.8
133.10115	26.0
135.11649	4.8
137.36836	0.7
137.59920	0.7
139.07521	1.0
141.06976	0.9
143.08548	6.1
145.06474	1.3
145.10107	12.9
147.10591	1.1
147.11676	18.8
149.09595	4.4
149.13232	2.7
151.11163	0.9
157.10085	1.5
159.11665	6.0
161.09554	0.8
161.13216	5.3
163.11157	5.8
165.09146	1.1
165.12750	0.7
169.10106	1.2
171.11623	7.4
173.13251	1.0
177.12717	1.4
178.37984	0.7
179.14299	6.3
184.07358	0.8
187.11166	2.4
189.12743	2.5
195.18343	0.8
197.13255	1.0
207.13762	3.1
239.37531	0.6
247.20535	0.6
257.18906	2.7
275.20020	28.5
279.15912	1.5
281.17426	16.9
284.70969	0.7
293.21048	0.8
294.20206	0.7
342.53125	0.7
349.23660	11.4
393.73926	0.7
424.70575	0.8
461.45709	0.7
537.35925	1.0
555.36743	100.0
556.36603	3.6
573.37537	1.2
730.20050	0.9
752.42480	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	752.4058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.9
55.01856	17.6
55.05300	3.6
55.05504	53.1
56.03090	3.3
56.24711	3.4
57.03410	16.4
59.04977	4.3
65.47499	3.6
67.05488	100.0
69.03391	18.4
69.07040	19.6
71.04963	28.1
79.05465	66.9
81.03394	70.3
81.07038	67.1
83.04952	28.7
83.08606	33.7
85.02882	18.0
90.17918	3.8
91.05445	45.3
93.07013	68.9
95.04932	32.1
95.08591	48.0
97.02840	27.1
97.06490	19.4
97.10141	23.6
98.03645	9.8
99.04408	9.9
100.74256	4.0
105.07011	34.0
107.04922	27.3
107.08578	49.6
109.02860	4.7
109.06470	16.7
109.10130	33.8
110.07285	7.4
111.04410	15.5
111.08041	7.5
117.06941	15.7
119.08584	33.1
121.06455	7.5
121.10060	29.1
123.08025	6.5
125.05921	5.6
125.09586	24.4
127.03879	7.0
129.05417	6.9
129.06934	15.9
131.04886	6.2
131.08548	9.2
133.10095	17.3
135.08044	5.7
135.11664	45.5
145.10043	34.9
147.11636	6.1
163.11118	56.7
173.04396	16.3
173.09575	9.0
181.12173	17.7
189.11111	6.1
193.12181	7.6
199.06055	7.0
199.13062	4.2
223.76888	4.6
227.12732	72.0
229.14221	6.4
254.75284	4.3
283.15283	33.1
293.00467	4.3
302.21188	4.7
389.96786	4.4
437.25226	62.0
445.20224	5.1
491.26169	18.2
509.27478	20.4
723.04749	4.6
757.27374	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	752.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	10.0
55.01863	30.9
55.05231	1.9
55.05502	58.4
57.03168	2.0
57.03428	31.1
57.07067	4.9
59.04968	8.2
61.02912	5.7
65.03917	2.8
67.05491	73.3
69.03413	29.7
69.07046	14.5
70.57936	1.1
71.01344	2.5
71.04976	22.5
72.05749	1.5
73.02896	4.9
79.05470	71.6
80.06260	2.1
81.03397	100.0
81.07039	58.6
82.04189	2.7
83.01324	17.5
83.04457	1.4
83.04961	43.7
83.08607	33.0
84.02126	1.4
84.05745	4.4
85.02892	19.7
85.06527	4.8
91.05455	47.0
91.05995	2.0
93.07021	67.3
94.04161	2.4
94.07797	2.0
95.04937	35.1
95.08575	26.1
96.05716	1.5
97.02868	27.5
97.06501	22.6
97.10144	27.0
98.03652	14.0
98.07285	1.5
99.04445	11.7
99.08067	2.8
103.05428	1.6
105.07011	33.9
107.04937	30.6
107.05617	2.0
107.08572	38.8
109.02860	13.1
109.06489	17.2
109.10135	24.9
110.07275	7.9
111.04404	13.8
111.08036	8.3
113.05984	5.9
114.36685	1.2
115.05454	1.6
116.04702	4.9
117.06979	18.3
119.04908	1.6
119.08560	26.8
121.06442	8.6
121.10098	23.6
123.04430	8.8
123.08032	21.7
123.11658	1.3
125.05977	6.0
125.09607	23.4
127.03892	11.3
129.05466	13.7
129.06976	8.4
130.07764	4.9
131.08530	15.9
133.10129	7.8
135.04396	2.1
135.08022	11.4
135.11656	25.1
136.08850	1.2
137.09583	6.7
139.07555	1.3
143.07019	1.4
143.08554	2.6
143.10678	1.5
145.06450	2.3
145.10098	31.9
147.08060	7.6
147.11659	7.2
149.05949	1.9
149.09590	6.1
153.05458	2.3
153.07004	1.1
153.09061	12.0
153.12689	10.7
155.08514	3.8
157.08623	4.8
157.10114	2.5
161.09569	2.1
163.11142	45.0
171.10159	2.0
173.04416	17.4
173.09624	7.5
173.11726	6.5
175.11209	2.8
181.12163	9.9
185.08018	1.3
185.11766	1.1
189.11156	9.6
191.10648	8.8
193.12247	1.4
199.05939	6.3
199.13275	4.6
209.11716	20.4
211.13242	1.6
224.14090	5.9
227.12685	26.0
229.14334	2.4
265.14395	2.7
267.15820	6.9
283.15329	51.1
284.15982	1.5
301.16492	11.1
336.47217	1.2
337.16327	2.6
353.16122	1.5
407.23862	1.5
411.20114	1.2
425.25281	1.8
427.19510	7.1
437.25226	76.1
445.20224	2.3
453.24698	2.1
463.26807	1.6
474.25931	1.8
475.26974	1.8
491.26105	16.2
492.26743	6.0
506.28625	2.5
509.27274	22.3
635.30438	2.1
637.32623	11.5
653.31323	16.0
654.32330	2.4
671.33270	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	750.4984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01881	4.3
55.05511	32.9
57.03419	24.6
57.07048	25.1
61.02909	4.4
65.18542	3.9
67.05477	42.0
69.07050	31.7
71.08595	5.9
71.44695	3.7
76.70338	4.7
76.98466	4.1
79.05455	29.0
81.03396	99.1
81.07047	52.1
83.04966	8.9
83.08607	46.9
85.02861	5.1
85.06610	4.4
86.09676	28.4
87.04457	7.3
91.05461	25.7
93.07006	26.8
95.04954	37.1
95.08588	32.8
97.02923	6.3
97.06487	8.2
97.10132	18.7
105.07009	18.5
107.04929	5.1
107.08561	20.9
109.10146	7.3
111.08038	9.5
117.06978	4.9
119.08572	8.9
121.10107	24.9
123.11715	6.5
124.99978	9.1
129.06967	17.6
131.08530	19.8
133.10052	6.7
135.11696	18.6
147.07994	5.6
147.11682	9.3
157.10118	9.4
175.11214	8.0
184.05833	6.2
184.07271	45.5
193.12157	38.2
267.15854	100.0
311.25735	97.0
313.27286	6.2
314.99640	5.8
410.23856	4.6
490.89246	4.9
503.37161	89.5
521.38110	21.9
534.57196	5.3
638.15143	5.1
749.43866	8.9
750.43243	74.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	751.4603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	7.1
57.03421	3.1
57.07058	3.6
61.02916	3.9
67.05487	6.1
67.56200	1.4
68.96529	1.4
69.03434	1.5
69.07062	3.2
73.02892	3.3
79.05447	5.7
81.03421	2.8
81.07024	6.5
83.08607	3.1
85.02906	9.1
86.09695	1.9
87.04455	1.5
91.03926	2.4
91.05492	2.4
93.07015	3.4
93.52625	1.5
94.58386	1.7
95.08590	6.6
95.59199	1.6
105.07034	2.2
107.08593	2.1
109.10143	1.7
117.52925	1.6
124.99980	2.2
129.00319	1.4
135.11635	2.5
184.07260	14.7
313.27267	1.6
318.24423	1.7
469.20416	12.2
523.32257	2.0
549.28436	1.8
588.08209	1.8
588.17944	1.5
751.45673	100.0
752.45978	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	751.5346
Annotation	Unknow
Peak:m/z	Relative Intensity
54.05419	5.6
55.05502	37.3
57.03428	30.8
57.07065	68.6
61.02909	7.9
67.05487	72.9
69.07037	26.4
71.08613	47.8
71.95423	5.6
77.20878	7.9
79.05480	56.2
81.07044	83.9
83.08591	12.8
85.10167	16.7
91.05459	97.0
93.07000	58.9
95.04930	12.7
95.08585	65.1
96.19783	7.5
105.07021	89.6
107.08586	34.3
107.70986	8.4
109.10129	13.2
117.06989	30.0
119.08547	56.3
121.10093	28.6
129.06981	11.0
131.08545	28.0
133.10114	48.7
143.08580	30.5
145.10117	44.1
147.11667	41.2
159.11720	9.4
161.13199	14.2
171.11681	14.7
173.13223	13.9
175.14786	11.4
185.13272	15.7
241.19489	29.6
259.20560	67.7
277.78494	9.0
304.87103	7.8
313.27338	100.0
317.16748	8.0
333.24103	44.3
548.16077	9.8
571.47614	12.5
589.47858	33.9
679.48657	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	749.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03964	1.1
55.05494	1.8
57.03434	1.8
58.07730	1.0
61.02913	5.1
67.05482	6.4
69.03410	2.5
69.07058	1.8
73.02897	5.2
77.08859	1.0
77.28821	1.0
79.05482	6.0
81.03423	1.6
81.07024	2.2
83.04935	1.7
85.02898	5.1
91.03942	1.5
91.05466	4.5
93.07021	6.2
95.04969	2.7
95.08608	1.3
97.02869	4.7
97.06522	1.4
99.04429	1.5
105.07001	2.3
107.08604	5.2
107.76388	1.1
109.10194	1.7
111.32066	1.2
119.08650	1.5
121.10143	1.7
131.08508	1.5
135.11639	4.2
145.10130	1.7
161.79953	1.0
163.11096	1.4
183.61954	1.1
243.08466	2.2
333.20288	2.0
408.37762	1.1
439.19363	10.3
542.89545	1.2
551.28284	8.8
749.40662	100.0
749.52228	4.3
750.41199	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4073
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81262	1.5
55.05495	2.3
57.03434	1.4
61.02917	8.0
64.91528	1.1
67.05495	7.0
69.07063	3.2
71.01331	1.3
73.02915	2.1
79.05486	7.8
81.07051	7.8
85.02921	6.3
89.61872	1.3
91.03930	1.3
91.05479	5.7
93.07034	6.7
95.08601	1.6
97.02873	2.8
97.06509	1.5
105.06985	2.3
106.73026	1.3
107.08602	3.0
117.07037	1.3
118.92776	1.3
119.08595	1.9
135.11705	6.3
142.53595	1.4
163.11177	1.4
184.07332	1.8
206.88376	1.3
227.12708	1.3
243.08521	3.2
341.15173	1.3
406.59137	1.5
439.19638	11.5
551.28406	2.9
560.37903	1.4
653.14697	1.5
749.40790	100.0
749.53217	10.8
750.40863	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	749.4075
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.0
57.03429	3.8
57.44439	0.8
61.02906	4.0
67.05492	6.3
69.03431	1.7
69.07055	1.2
73.02908	3.8
75.26286	0.9
75.43283	0.9
79.05471	5.1
81.03413	1.7
81.07037	4.4
83.08599	1.7
85.02909	2.0
91.03943	2.0
91.05467	1.8
91.08916	0.9
93.07020	7.2
94.06397	0.9
95.04967	1.8
97.02905	4.1
99.04432	1.3
101.02374	1.0
105.07031	1.3
107.04964	1.2
107.08569	2.3
111.04420	1.6
119.08585	1.3
135.11728	6.3
145.10150	1.2
149.09683	1.5
163.11082	1.1
184.07217	1.2
210.38234	1.1
228.37706	1.1
243.08321	1.3
333.20435	1.8
439.19336	13.7
477.25156	1.2
545.79492	1.2
551.28467	6.2
661.30811	1.2
749.40656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
58.62087	0.5
69.03403	0.6
85.02905	0.9
102.18774	0.6
103.05441	12.5
131.04907	22.8
137.05946	1.5
153.01811	9.9
163.07500	1.3
165.01820	2.5
169.06442	0.7
183.02924	1.4
242.05701	9.6
258.05222	8.5
270.05170	36.0
271.05927	5.8
273.07513	30.8
285.07523	100.0
299.05380	0.7
311.05414	1.3
323.05414	1.5
370.39020	0.7
377.06793	0.9
386.80365	0.7
405.05756	0.9
425.08548	7.2
437.08609	45.5
453.08112	2.9
463.10172	2.6
587.15405	29.2
749.20197	2.8
751.05029	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	749.4077
Annotation	Unknow
Peak:m/z	Relative Intensity
53.11974	1.6
56.71615	1.5
56.96885	1.4
57.03439	2.2
61.02914	6.8
63.17226	1.5
67.05495	3.9
68.97074	1.6
69.03428	1.8
73.02892	2.5
79.05490	7.5
81.03398	2.7
81.07062	8.2
83.04971	2.3
85.02899	3.2
85.54529	1.7
91.05480	2.6
93.07043	8.0
95.08616	2.8
97.02930	2.3
97.06525	2.0
101.02406	1.8
105.07025	3.1
107.08610	7.5
109.06548	1.5
119.08570	1.9
133.38147	1.7
135.11719	3.5
171.67738	1.9
243.08385	2.3
262.69653	1.8
281.31335	1.6
284.71738	1.8
301.36899	1.9
315.35251	2.0
406.17233	1.8
439.19440	10.2
551.28369	3.0
686.81720	1.8
696.65582	1.8
749.40845	100.0
749.53455	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	749.4072
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	1.0
57.03417	3.2
61.02916	5.2
67.05502	5.5
69.03418	4.3
69.07059	3.3
73.02892	3.4
79.05473	6.3
81.03392	0.9
81.07038	10.8
81.48927	0.8
83.08621	1.0
85.02894	3.7
91.05483	5.7
93.07050	5.2
95.08612	3.8
97.02855	6.2
97.06530	1.3
100.36850	0.9
105.07052	3.7
107.05051	1.0
107.08588	4.2
119.08578	1.9
119.17181	0.9
121.10168	1.1
125.00034	1.2
131.08537	1.2
133.10146	0.9
135.11682	4.6
145.10127	1.2
147.11671	1.5
149.09688	1.0
164.98425	1.0
184.07449	1.3
234.47041	1.0
243.08405	2.1
265.54990	0.9
274.02542	0.8
293.11920	0.8
333.20551	5.1
439.19144	11.7
495.46790	1.0
523.65991	1.2
551.27997	7.0
749.40710	100.0
749.53027	13.0
750.40985	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.4281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.48551	0.9
55.05479	0.9
57.03408	3.2
60.08136	1.7
61.02911	7.1
67.05484	4.3
68.64667	0.8
69.03419	3.5
69.07050	1.9
71.05003	0.8
73.02889	4.1
74.62106	0.9
79.05468	9.2
81.03392	1.7
81.07029	9.1
85.02888	4.8
86.09681	7.0
87.10028	0.8
91.03932	1.5
91.05453	4.9
93.07018	7.5
95.04945	1.4
95.08593	3.5
97.02863	5.0
97.06519	1.4
99.04405	1.0
101.02351	3.5
105.07012	3.5
107.08569	4.2
109.02855	1.2
119.08569	4.0
121.10165	1.2
124.99950	8.2
127.03877	1.3
145.10136	1.2
149.13266	3.4
166.22401	0.9
184.07272	20.6
185.07683	1.7
205.33795	0.9
235.12991	1.4
243.08446	3.9
301.08868	1.2
453.21024	12.2
525.22363	1.3
535.28876	7.0
747.42548	100.0
748.42792	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	748.4749
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62847	1.3
55.01861	3.4
55.05500	7.2
57.07072	10.5
64.33192	1.3
67.05485	9.3
69.07056	3.3
69.47224	1.2
71.08616	7.4
72.77627	1.3
72.93734	1.3
75.32116	1.2
79.05466	3.3
81.07034	28.3
83.08593	3.6
85.10165	2.3
91.05460	2.2
93.07013	8.9
95.08584	12.2
103.42310	1.4
105.07016	3.2
107.08587	3.3
107.67014	1.6
109.06506	9.0
109.10133	3.4
111.04411	14.8
119.08582	7.5
121.10104	2.7
123.08066	1.6
125.05976	3.7
133.10123	3.7
135.08006	1.9
135.11684	1.7
137.05948	100.0
147.11700	6.7
149.09624	3.3
151.07423	1.8
157.10045	2.5
161.09590	7.3
161.13203	3.5
163.11172	6.5
175.11156	6.3
184.07365	1.8
193.64766	1.4
203.17929	7.6
204.86676	1.5
221.19011	1.8
231.17416	8.9
249.18433	7.5
273.07364	1.6
277.17859	27.8
282.27625	1.9
295.19000	6.9
313.24216	1.7
313.27197	12.0
320.22131	3.8
327.11823	1.8
340.13260	1.6
346.73340	1.7
351.21405	3.6
366.98645	1.7
589.44501	57.5
607.45703	14.7
730.46484	2.5
748.51563	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	748.5205
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61617	2.3
53.91982	1.9
54.81792	2.5
55.05502	21.5
57.03420	16.7
57.07062	42.9
67.05493	26.5
69.03392	4.2
69.07047	12.6
71.04980	2.6
71.08617	27.2
73.02897	3.2
79.05462	21.9
81.03397	54.6
81.07043	32.5
83.04967	15.4
83.08613	23.2
85.02890	24.0
85.10160	15.2
90.88085	2.4
91.05469	21.7
92.08916	17.7
93.07034	14.1
95.04945	23.7
95.08585	21.7
97.02862	4.3
97.10149	4.8
101.59743	2.4
105.06992	23.3
106.59657	2.4
106.98268	2.5
107.04913	4.7
107.08608	10.6
109.10130	13.9
110.61302	2.6
111.08086	6.4
111.11697	2.8
111.85863	2.2
114.09950	2.8
119.08515	19.4
121.10104	5.7
121.79676	2.6
129.06982	5.8
131.08537	11.4
133.10124	11.5
135.76851	2.6
144.15210	2.8
145.10272	2.6
147.11681	11.5
148.38646	2.4
149.09579	3.2
157.10132	13.2
175.11195	6.2
193.12219	26.7
211.13243	38.4
267.15872	11.4
285.16879	58.6
302.26895	3.2
341.30405	60.9
387.34320	2.7
533.41693	17.5
551.42999	100.0
711.08307	2.7
748.50763	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	747.3922
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.9
55.05505	2.8
58.45949	1.9
59.30246	2.1
61.02914	4.3
65.82081	1.7
67.05488	10.9
69.03423	2.1
69.07047	2.7
73.02898	3.8
73.07968	1.8
73.55224	2.4
79.05464	8.8
81.03412	3.7
81.07047	12.3
85.02895	4.0
86.09682	12.9
91.03943	3.7
91.05455	4.5
93.06993	7.7
95.08577	4.2
97.02872	4.8
97.06484	2.2
105.07005	3.6
107.08560	8.8
117.07010	2.5
119.08566	4.2
124.99986	11.8
129.07016	2.0
131.08548	3.1
133.10089	4.6
135.10649	2.2
135.11682	8.4
154.61475	2.4
184.05788	2.9
184.07318	35.4
201.59074	2.4
202.50928	2.0
241.93451	2.0
313.17484	2.6
331.18869	3.9
439.19400	4.8
549.26660	3.3
729.37689	12.0
747.39069	100.0
747.52100	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	747.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.7
53.76801	0.3
55.01856	2.0
59.90360	0.4
65.03923	0.7
67.01826	0.6
67.05495	0.6
68.80219	0.4
68.99773	9.9
69.03426	0.4
73.97692	0.4
77.03906	0.8
79.05498	0.5
81.03381	3.2
85.02876	1.7
91.05465	0.9
95.04945	2.4
97.02888	0.5
99.04446	1.7
105.03381	0.9
107.04910	0.7
109.02841	4.5
111.00785	10.2
111.04383	3.1
115.05508	0.5
118.87489	0.4
119.04929	1.9
121.02836	2.0
123.04406	70.1
125.02341	0.6
127.03893	100.0
130.43651	0.4
131.04900	0.6
133.02838	2.5
135.04410	2.6
137.02370	0.7
137.05942	1.7
139.03880	66.9
143.03418	2.5
143.04877	0.5
145.06459	0.7
147.03308	0.9
147.04393	15.8
149.02295	3.3
149.05977	0.7
151.03877	38.6
153.01813	12.5
153.05469	0.5
155.03325	0.5
155.04897	0.5
157.06482	2.0
159.04373	1.0
161.02316	0.5
161.05965	2.0
163.03857	8.2
163.07565	0.4
165.05464	4.3
167.02092	0.7
167.03383	8.1
167.04764	0.7
169.06479	0.6
171.04382	1.8
173.05901	1.7
175.03883	21.9
177.05421	6.1
179.03352	36.3
183.04507	0.6
184.04985	0.4
185.05966	2.5
187.03851	2.3
189.05402	5.3
191.03363	13.7
191.05080	0.5
193.04907	6.9
197.05988	0.8
199.03835	3.7
201.05429	7.8
203.03357	29.2
205.04961	2.7
213.05399	7.5
215.03383	2.5
217.04913	6.5
219.06476	1.0
221.04451	0.5
227.03348	0.9
229.04941	5.9
231.06422	3.1
233.04352	5.9
241.04973	4.5
243.06537	0.7
245.04373	11.9
247.05931	1.9
251.05550	1.9
255.06514	0.5
257.04413	14.0
259.06033	2.8
263.05417	8.8
269.04364	7.5
271.06009	3.4
273.07556	4.6
275.05429	10.5
283.06091	0.6
287.05438	41.0
288.05853	0.6
291.08557	1.0
299.05426	12.6
300.05679	0.5
305.06464	7.2
308.27420	0.6
311.05319	0.9
313.06967	0.5
317.06540	8.9
345.07602	0.4
367.21597	0.5
370.44827	0.5
383.31998	0.5
391.07996	2.1
409.09247	5.3
425.08585	9.2
443.09778	4.3
451.09976	0.6
455.09659	0.6
518.94135	0.4
579.10931	0.9
715.36212	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4959
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82197	2.1
55.01870	3.6
55.05497	25.9
57.06849	1.6
57.07068	25.4
58.11078	1.6
59.05235	1.9
67.05492	24.3
69.07048	16.3
71.04984	3.8
71.08624	14.5
79.05494	21.4
81.07038	27.5
83.04955	4.4
83.08601	19.7
84.92770	1.8
85.10158	4.7
91.05460	18.2
93.07033	24.3
93.20250	2.3
95.04948	19.9
95.08585	26.3
97.10141	3.6
99.04420	2.7
105.07007	17.8
107.04953	3.2
107.08595	18.1
109.06503	3.2
109.10154	14.3
111.08116	2.5
117.07010	9.8
119.07819	2.0
119.08533	18.0
121.06437	3.1
121.10109	11.3
123.11650	4.3
125.09574	2.5
131.08597	6.9
133.10069	8.7
135.11661	3.8
140.77605	1.9
144.41895	1.9
145.10114	9.3
147.11661	3.2
149.09634	9.2
159.11610	2.3
163.11186	9.1
184.07196	2.1
223.13275	4.1
257.19098	2.6
275.20016	10.9
293.21072	4.8
313.27277	3.9
318.24527	2.7
413.09290	2.3
454.29251	2.2
587.46564	24.8
605.47681	100.0
728.48621	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	40.1
57.07056	59.2
67.05495	84.5
68.00209	7.6
69.07042	49.6
71.08607	21.9
73.19434	7.3
79.05457	57.5
79.65192	7.7
80.33759	8.1
81.07034	100.0
82.06594	8.7
83.04949	8.9
83.08620	12.2
85.10170	11.2
85.40159	7.2
91.05451	41.6
93.07005	45.9
95.04936	14.2
95.08585	70.9
105.06999	47.2
107.08566	42.5
109.10165	15.2
109.80630	9.2
117.06974	18.0
119.08545	38.7
121.10105	12.2
131.08514	14.0
133.10098	15.1
135.11635	9.2
147.11691	9.2
209.98027	9.8
216.57574	9.9
310.10510	8.4
329.40289	9.2
507.40305	59.1
569.45221	18.9
587.46552	65.8
605.47449	16.4
630.41418	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	746.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02309	1.0
52.47093	1.0
53.00265	0.8
53.03933	2.6
55.01862	2.2
55.05503	39.6
57.03431	24.6
57.07074	12.1
61.02911	6.2
67.05492	39.9
69.03403	5.5
69.06711	1.9
69.07056	38.4
70.04134	1.0
71.04964	6.1
71.08598	2.7
73.02878	1.3
79.05058	1.7
79.05476	31.1
81.03395	62.1
81.07033	51.7
83.04960	20.7
83.08603	45.1
85.02881	33.8
85.06545	1.5
85.10157	4.7
91.03963	1.1
91.05459	34.0
93.07024	27.6
95.04948	25.8
95.08585	31.9
97.02869	7.1
97.06497	5.9
97.10130	15.8
99.08061	2.0
105.07004	26.6
106.31539	1.1
107.04943	6.3
107.08568	14.0
109.06512	6.6
109.10147	15.1
111.04418	1.4
111.08060	10.8
111.11681	2.3
113.05945	1.2
113.14623	1.2
115.05436	1.5
117.06991	1.5
119.08565	20.4
121.10101	19.1
123.08018	1.7
123.11679	4.9
125.09615	1.3
129.06981	12.4
131.08543	14.8
132.98070	1.1
133.06490	2.4
133.10123	11.1
135.11678	6.5
137.09581	5.0
142.07765	5.0
145.10095	2.6
147.05774	1.2
147.08008	4.5
147.11668	14.1
149.09636	5.9
149.13264	2.0
157.10072	13.9
163.14818	2.0
165.09076	10.5
165.12721	2.1
166.09413	4.6
175.11142	12.7
184.07303	1.8
193.12213	37.3
201.52078	1.2
211.13257	45.9
265.25232	1.6
267.15866	14.9
281.51672	1.4
285.13858	2.1
285.16907	49.5
339.28888	64.6
340.07846	1.3
340.29086	1.3
451.70456	1.3
469.81253	1.2
479.65344	1.3
531.40314	14.0
549.41394	100.0
550.40778	1.3
554.98273	1.3
746.43280	7.3
747.40210	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	747.1543
Annotation	Catechin-(4alpha->8)-epigallocatechin-3-O-gallate
Peak:m/z	Relative Intensity
53.33096	0.3
55.01846	1.7
63.36222	0.3
65.03923	0.3
65.12755	0.3
67.38448	0.3
68.99769	5.7
69.03399	0.6
79.01832	2.6
81.03374	0.6
85.02880	0.9
86.97808	0.4
89.93559	0.4
91.05429	0.6
95.04948	0.7
97.02844	0.8
107.01321	0.4
111.00782	5.9
111.04348	0.6
119.04897	1.7
123.04392	17.9
125.02330	3.8
127.03871	6.2
131.04858	0.5
133.02823	0.5
133.06410	0.4
135.04379	0.6
139.02783	0.7
139.03870	22.2
141.01779	0.5
141.07019	0.5
143.03363	9.1
145.06474	1.4
147.04376	8.2
149.02246	0.7
151.03864	12.3
153.01791	100.0
153.02821	4.2
154.02058	0.5
155.03444	0.5
155.04857	0.4
157.06520	1.7
159.04359	1.9
161.05894	2.5
163.03836	4.2
165.05444	2.1
171.04311	2.6
173.05855	2.4
175.03844	13.0
177.05443	4.4
179.03334	7.4
179.06976	0.5
183.04282	0.7
185.05933	2.1
187.03857	0.7
189.05396	2.6
191.03365	1.7
193.04892	3.7
195.57875	0.4
197.05975	1.7
199.03862	5.5
201.05403	5.1
202.31816	0.4
203.03354	15.5
203.07080	0.3
207.06511	1.3
211.03822	2.9
213.05400	6.9
215.03424	0.6
217.04880	4.2
219.06447	2.2
225.05542	0.8
227.03339	1.4
229.04861	5.7
231.06482	1.4
233.04361	1.9
239.03337	0.4
241.04807	3.7
245.04362	9.2
253.04849	1.7
257.04388	10.0
258.05035	0.5
259.05951	2.4
263.05399	4.4
269.04352	3.4
271.05951	3.7
275.05399	10.2
278.20663	0.4
281.04333	0.5
287.05414	52.2
291.08572	3.3
299.05399	11.7
303.04822	1.4
305.06342	1.5
317.06412	0.4
337.07184	0.4
339.13354	0.4
341.11917	0.8
407.07483	0.4
409.09018	0.6
425.08554	10.9
427.10172	10.3
427.15854	0.8
429.20877	2.7
616.29279	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.2343
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	0.6
54.41129	0.4
55.01855	2.2
55.05513	3.8
55.05734	0.4
57.03418	4.2
57.92636	0.4
61.02901	1.8
65.03943	0.6
67.05486	2.3
69.03406	5.1
69.07055	0.7
71.01329	15.1
71.04964	2.9
73.02887	0.4
79.05473	1.0
81.03391	2.3
81.33299	0.4
83.04959	24.3
85.02883	100.0
88.22172	0.6
91.24767	0.4
92.29079	0.5
95.01296	5.3
95.04936	3.4
97.02859	3.1
97.06483	5.1
99.04443	0.8
107.04945	0.7
109.02886	0.9
109.57720	0.5
111.04417	11.5
112.30322	0.5
113.02341	3.4
113.06007	1.0
115.03822	0.5
117.01833	1.0
121.02831	0.5
121.06477	0.6
123.00762	0.5
123.04389	0.7
125.02325	0.6
125.05964	1.9
127.03880	15.5
129.05449	0.9
135.04445	0.9
137.02299	1.0
139.03812	0.6
141.01797	28.8
143.07053	0.7
147.06470	0.6
149.05840	0.6
157.04977	3.1
160.81119	0.5
161.05968	0.5
163.03873	0.9
171.06461	8.8
177.05522	0.7
183.02795	3.6
189.07558	2.1
201.03888	14.8
223.06136	0.7
251.05302	0.7
261.05978	33.2
287.07614	0.9
311.07593	2.6
356.98718	0.5
368.31311	0.6
594.35706	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4598
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94888	0.2
55.05502	0.4
56.05026	0.3
57.03410	0.2
58.06593	0.2
60.07858	0.4
60.08154	8.7
63.85707	0.2
67.05483	0.7
69.07077	0.2
71.07360	3.9
73.14555	0.2
79.05471	0.9
81.07053	0.4
83.08592	0.2
86.09689	46.2
86.38892	0.2
87.10010	0.2
91.05458	0.9
93.07020	0.7
95.04952	0.3
95.08566	0.2
97.06487	0.2
97.10160	0.4
98.98438	3.7
104.10738	2.9
105.07016	0.8
107.04924	0.2
107.08596	0.4
109.06352	0.2
109.10161	0.2
119.08524	0.3
121.10094	0.2
124.99976	30.5
127.88892	0.2
131.08559	0.3
132.79807	0.2
143.01018	0.6
157.10066	0.2
184.07306	100.0
185.07623	0.3
278.90750	0.2
362.07669	0.2
396.21570	0.2
407.03305	0.2
437.19193	1.6
635.69550	0.2
728.44757	15.1
729.44830	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	746.4595
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
56.05002	0.4
60.08156	9.7
62.79075	0.3
67.05495	0.5
71.07360	3.8
75.76697	0.3
79.05457	0.6
81.07026	0.8
86.09691	48.2
91.05457	0.5
92.04311	0.4
93.05205	0.4
93.07023	0.5
95.08584	0.7
98.98452	4.1
104.10719	2.9
105.07014	0.7
109.10206	0.4
116.73269	0.4
124.63081	0.4
124.99976	30.4
143.01028	0.4
154.00435	0.5
155.16164	0.4
169.25217	0.4
180.33957	0.4
184.07309	100.0
201.92099	0.4
237.12538	0.4
244.32173	0.4
455.02692	0.4
699.36212	0.5
728.44879	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	745.361
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03883	0.6
55.01825	0.7
55.02075	0.3
55.05438	1.7
57.03356	2.0
59.04948	0.5
61.02840	5.4
67.05413	9.5
67.05801	0.8
69.03334	2.6
69.06974	0.7
71.01277	0.5
71.04897	1.5
73.02821	3.9
73.28883	0.3
79.05397	2.1
81.03316	4.1
81.07035	3.1
83.04913	0.6
83.08514	1.5
85.02801	7.9
85.03375	0.7
85.06458	0.4
87.04387	0.6
89.92153	0.4
91.03928	3.6
91.05447	3.9
92.90593	0.3
93.06949	1.7
95.04884	1.3
95.08525	1.3
97.02872	5.6
99.04357	0.8
101.02271	2.2
105.06931	1.7
107.08502	1.4
109.02762	1.5
109.10141	9.2
111.07952	0.4
115.03800	0.4
117.06889	0.4
119.08558	2.6
121.06451	0.3
121.10076	0.4
127.03780	1.9
127.86164	0.3
129.06906	0.8
131.08493	0.6
133.10020	1.6
137.09518	0.4
138.29680	0.3
145.10095	0.4
147.11610	0.8
149.09558	0.6
157.10002	0.5
173.11679	4.3
175.11194	0.5
185.04153	0.5
193.12100	1.8
195.09761	1.8
211.13091	1.5
229.14188	2.2
243.08347	3.0
251.12579	2.6
251.69612	0.3
285.16852	0.8
307.15195	0.7
332.77603	0.4
335.64893	0.3
413.17728	17.4
447.26990	0.4
469.20337	15.9
479.25760	0.8
628.66071	0.5
641.31317	100.0
642.31506	2.6
658.29163	0.4
745.35956	26.2
746.36414	0.6
765.72308	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	745.4124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
54.81355	1.1
55.05501	1.8
56.98573	1.1
57.03420	2.0
61.02919	6.6
67.05490	8.8
69.03436	2.1
69.07060	2.9
69.40730	1.2
70.62951	1.2
73.02907	6.3
79.05466	7.4
81.03386	2.1
81.07039	11.1
85.02900	7.6
86.09693	5.9
91.05461	7.6
93.07034	9.5
95.04971	1.8
95.08588	5.7
97.02879	2.0
105.07028	6.2
107.08568	5.2
109.06523	2.8
109.10170	3.0
117.06982	2.2
119.08585	5.4
121.10154	2.4
125.00000	2.9
131.08517	2.7
133.10135	3.3
135.11674	1.4
138.68747	1.5
145.10033	2.4
145.20190	1.4
149.13301	1.5
159.11690	1.7
161.23312	1.4
184.07266	10.2
243.08307	1.9
315.19376	7.7
453.20801	7.7
533.27203	5.2
745.41107	100.0
746.41895	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	745.3607
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39107	0.4
55.01857	1.7
55.31810	0.5
57.03430	3.6
57.07061	0.5
57.16504	0.5
59.04972	0.5
61.02914	6.5
64.33161	0.6
64.93557	0.4
67.05479	3.9
67.98422	0.4
69.03407	2.1
69.07050	2.3
69.86994	0.4
71.04967	2.0
73.02900	4.0
73.20297	0.5
76.55880	0.5
79.05466	3.8
80.73708	0.5
81.03398	4.6
81.07037	4.0
83.01073	0.5
83.04967	1.9
83.08602	1.0
85.02891	7.1
87.04453	0.6
91.03937	3.9
91.05448	3.5
92.09348	1.2
93.07024	3.0
95.04965	2.0
95.08578	1.8
97.02862	5.0
97.06518	0.9
99.04446	0.6
101.02349	1.2
105.07034	2.5
107.04931	0.7
107.08566	2.1
109.02744	0.6
109.10123	0.9
111.08044	0.7
115.13446	0.5
119.08613	2.8
121.10146	2.0
125.09566	0.6
127.03890	1.9
129.05476	2.4
129.06883	0.5
131.08568	2.1
133.10072	0.8
145.04933	1.0
147.11665	1.1
149.09637	0.9
157.10141	0.9
162.62827	0.5
181.04736	2.1
185.04190	4.4
193.12206	1.2
201.03680	0.8
207.13623	0.7
233.11316	0.6
233.74153	0.6
243.02620	0.5
243.08153	3.5
251.12396	0.8
267.15878	0.5
278.66089	0.6
283.15088	11.5
301.08887	17.5
309.16806	2.9
315.10403	4.4
323.18350	3.0
339.17865	1.1
343.13596	0.9
355.13684	0.9
357.15076	0.7
373.10800	5.4
381.18753	8.0
383.16708	1.1
385.18161	7.5
387.12555	0.7
399.19794	2.5
427.19318	8.1
429.17236	2.3
439.19458	0.7
443.18951	0.9
457.20441	0.7
465.28125	3.4
469.20407	3.3
483.21790	1.0
499.21140	3.6
501.23026	20.2
511.28305	1.7
517.22516	0.9
529.22418	13.6
529.29553	0.9
537.04376	0.6
545.21912	0.9
573.25043	11.8
587.26440	2.3
587.88184	0.5
601.28455	3.3
613.31915	2.3
615.29364	1.1
641.31860	0.7
643.32599	5.3
653.90918	0.5
657.34412	1.0
683.36438	0.6
727.35022	2.0
744.38239	2.5
745.36005	100.0
746.36517	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	745.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73439	0.5
54.81335	0.6
55.01867	0.6
56.96568	1.2
67.05489	2.9
72.30807	0.5
77.49010	0.5
79.05497	1.1
80.37887	0.5
81.03403	2.8
81.07035	1.5
82.24767	0.5
83.04970	0.7
91.05479	0.9
92.08708	0.9
95.04937	0.9
95.08592	0.9
100.93782	0.6
105.07025	0.7
107.08588	0.9
109.10139	0.9
116.98602	0.7
121.10088	0.8
123.91042	0.5
131.00198	1.1
134.10468	0.7
145.02991	0.6
148.57979	0.6
149.01210	0.9
153.85425	0.6
157.10121	0.6
187.54707	0.6
197.10416	0.6
203.06146	0.7
267.08954	11.7
283.15063	0.7
285.10013	11.6
485.16507	5.0
649.77600	0.7
654.10010	0.7
677.28027	1.2
745.33960	100.0
746.34015	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4889
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	11.3
55.01850	4.9
55.05505	48.0
57.03424	27.6
57.07047	14.0
58.27173	2.1
61.02888	3.9
67.05493	95.2
69.03399	9.1
69.07052	32.9
70.78666	2.1
71.04967	15.1
71.08610	11.0
72.34167	2.0
77.59852	2.2
79.05051	3.5
79.05474	52.5
81.03403	82.7
81.07039	100.0
83.04942	21.2
83.08604	34.7
85.02884	32.9
85.06519	8.7
91.05466	57.2
93.07026	62.7
95.04953	37.7
95.08583	73.0
97.02853	2.9
97.06493	13.9
97.10140	12.3
105.07007	64.7
105.07661	4.5
107.04922	8.8
107.08580	40.8
109.06469	11.1
109.10127	36.1
111.08047	16.7
115.05408	2.6
117.06979	9.5
119.08546	52.0
120.08895	2.3
121.10121	28.0
123.08011	5.4
123.11676	11.9
129.06970	16.6
131.08542	29.5
132.50891	2.9
133.06538	3.2
133.10110	35.7
135.11687	9.5
137.09613	5.4
142.07776	5.4
143.08528	4.2
144.09303	3.5
145.10069	14.3
147.11636	30.4
149.09567	4.9
149.13191	4.2
155.08556	2.5
156.09398	2.7
157.10100	19.2
159.11597	12.0
161.13205	9.0
165.12764	3.3
169.10124	2.7
171.11598	5.5
173.13133	2.8
175.11169	11.5
183.11578	3.5
184.07321	3.5
193.12204	44.2
211.13251	39.9
235.12677	2.4
267.15753	11.7
285.16895	56.7
289.70825	2.7
337.27313	56.2
341.84048	2.4
467.37219	3.9
505.38748	26.7
512.32251	2.9
529.38531	11.7
547.39771	100.0
614.31433	2.5
685.35986	3.2
744.45917	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	744.4888
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	3.4
53.03933	4.9
55.01862	5.7
55.05505	48.4
57.03419	19.4
57.07063	13.1
59.04995	5.1
61.02896	2.8
67.05487	50.1
69.03381	3.6
69.07056	58.0
71.04967	10.0
71.08614	2.4
79.05469	48.0
81.03402	11.5
81.07039	96.0
82.07390	3.3
83.01299	4.8
83.04964	21.5
83.08599	35.1
85.02908	4.5
85.06531	5.1
91.05460	52.3
92.09008	20.4
93.07022	100.0
95.04958	24.4
95.08580	69.5
97.06520	14.3
97.10143	11.7
99.04441	4.9
102.51678	2.5
105.07010	77.3
107.04929	5.4
107.08582	64.7
109.06502	16.3
109.10152	31.9
111.04435	3.1
111.08043	5.2
117.06987	17.2
119.08570	47.7
121.10120	40.7
123.08050	6.4
123.11692	5.7
128.06184	2.7
129.06972	5.6
131.08549	24.8
132.08798	2.8
133.10124	27.4
135.08069	3.1
135.11681	31.3
137.09676	3.2
142.07761	3.0
143.08572	10.0
145.10091	30.2
147.11694	16.0
149.09595	5.0
149.13171	9.4
155.08580	3.5
157.10121	17.3
159.11690	24.5
161.13255	13.3
163.11159	22.4
169.10141	3.7
171.11620	6.1
173.13289	5.3
175.14787	5.0
181.10133	3.0
183.11552	2.9
187.14920	3.9
195.11623	3.2
199.14793	5.6
209.11606	4.8
213.16478	2.8
225.16577	3.7
227.18132	2.7
234.21820	2.6
241.69376	3.1
274.42688	2.6
283.15359	74.0
339.28885	66.0
350.32571	2.7
547.39764	44.9
611.45868	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	744.4894
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.1
53.03946	4.8
55.01873	4.5
55.05266	2.7
55.05507	41.2
56.96424	1.7
57.03434	21.1
57.07059	11.1
58.17215	1.9
58.30369	1.7
58.94954	1.6
59.04981	2.5
61.02914	5.3
63.48689	1.7
67.05141	4.3
67.05493	100.0
67.17275	1.8
69.03413	10.6
69.07054	36.4
71.04984	10.3
71.08604	3.1
76.55544	1.9
79.05477	53.2
81.03404	70.9
81.07040	92.3
81.27188	2.1
83.04969	20.7
83.08599	35.3
85.02881	29.4
85.06548	3.9
86.09681	2.6
91.05461	61.1
92.08646	6.7
93.07024	61.9
95.04953	35.7
95.08587	71.0
95.85071	2.3
97.02868	4.8
97.06516	9.6
97.10152	14.1
105.07016	58.8
105.48798	2.2
107.04936	9.2
107.08589	46.8
109.06514	10.7
109.10152	34.5
109.89413	2.2
111.08089	12.4
117.06982	8.9
119.08569	47.1
121.10126	28.0
123.08071	2.3
123.11691	5.3
124.99958	2.0
125.09653	2.7
129.06979	17.4
131.08551	32.0
133.10088	27.4
135.11700	8.7
139.11108	2.5
142.07771	3.8
143.08557	9.2
145.10135	18.6
147.08083	2.6
147.11679	28.7
149.09660	11.5
149.13269	3.0
157.10092	23.2
159.11694	10.0
161.13184	3.3
167.08430	2.5
173.13181	3.8
175.11174	12.7
184.07292	5.2
187.14748	2.8
193.12236	31.2
211.13249	37.8
267.15875	11.4
285.16895	47.7
337.27338	48.9
467.37177	13.3
505.38571	17.8
529.39526	14.8
547.39825	90.5
628.45416	3.3
744.46240	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	744.4517
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60113	1.4
53.03928	4.0
54.81502	1.4
55.01851	4.0
55.05502	31.9
57.03426	20.5
57.07064	3.7
60.08155	2.3
61.02895	3.8
65.03914	2.4
67.05144	3.2
67.05489	87.2
68.05806	1.7
69.03398	9.4
69.07047	29.8
71.01318	4.0
71.04959	11.9
79.05473	82.3
80.05772	1.8
81.03384	13.7
81.07034	72.2
83.04966	16.9
83.08581	8.4
85.02872	4.3
85.06528	3.8
86.09687	21.2
91.05460	74.2
92.09001	19.9
93.07015	100.0
95.04929	20.2
95.08578	40.2
97.06496	19.2
97.10146	14.2
99.08067	3.5
105.04468	1.9
105.07005	66.6
106.07315	2.7
107.04945	4.3
107.07864	3.5
107.08570	65.7
108.08891	1.8
108.69334	2.3
109.06488	10.6
109.10156	22.7
109.41399	1.8
111.08041	3.4
117.06995	23.0
119.08544	45.3
121.06466	4.3
121.10112	25.1
123.08012	2.0
124.99950	14.1
127.03847	2.0
129.06970	10.8
130.07681	2.6
131.08527	30.2
133.10097	38.3
134.10596	2.3
135.07993	3.1
135.11673	45.4
136.09924	1.9
137.09616	2.1
141.06908	1.9
142.07704	2.5
143.08543	4.1
145.10092	30.7
147.11678	20.1
149.09575	8.4
149.13280	5.3
151.11211	4.3
157.10069	10.8
159.11679	16.4
161.13234	14.7
163.11125	8.9
169.10085	3.8
171.11636	12.9
173.13182	8.5
175.14821	3.7
181.12175	4.5
183.11592	2.5
184.07295	42.6
185.13268	4.1
193.46361	1.8
199.14862	2.9
241.19431	11.1
253.14291	7.1
254.14774	1.9
255.15794	42.5
259.20502	29.6
269.17468	2.3
275.20004	8.4
279.91296	2.0
293.20935	4.3
310.09390	1.8
333.24158	16.8
403.42813	1.9
449.28998	29.4
503.37247	2.0
513.35510	24.8
529.35052	2.6
531.36591	7.9
547.35480	3.4
584.98438	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	744.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	2.3
53.01880	1.3
53.03941	5.9
55.01861	8.8
55.05507	27.7
57.03427	29.0
57.07070	2.6
58.74317	1.3
59.70832	1.2
59.87531	1.4
61.02906	3.3
64.33569	1.4
65.03911	1.9
67.05141	3.4
67.05492	85.7
69.03400	3.5
69.07053	41.3
71.01342	2.1
71.04984	8.7
71.08523	1.3
73.02879	1.6
76.32675	1.5
79.05470	83.3
81.03389	12.2
81.07040	71.9
81.47417	1.7
83.04959	20.1
83.08607	10.9
85.02885	6.6
85.06531	6.5
86.09708	10.6
91.05456	50.4
93.07018	100.0
95.04927	16.6
95.08587	29.7
97.02863	3.0
97.06496	27.5
97.10147	15.2
99.04497	1.8
99.08064	2.3
105.07004	34.1
107.04923	11.8
107.08573	57.1
109.06502	3.8
109.10130	13.3
111.08062	2.4
115.05435	1.9
117.06985	22.1
119.08554	24.2
121.06503	3.7
121.10134	19.6
123.08022	2.6
123.11676	3.4
124.99979	9.6
125.09599	3.4
126.31812	1.3
129.06990	3.6
131.08548	16.3
133.10095	22.3
135.08012	2.7
135.11664	53.5
137.09598	3.2
141.07022	1.7
143.08507	2.1
145.10097	22.7
147.08104	2.0
147.11658	7.2
149.09604	13.9
149.13246	6.8
151.11201	1.9
157.10120	2.2
159.11664	13.2
161.13202	2.9
163.11160	14.9
171.11642	2.2
173.13246	3.4
175.11208	2.2
177.12740	1.9
179.14377	1.7
181.12193	7.9
184.07272	17.9
195.13797	2.9
197.13301	2.1
221.88487	2.1
239.17957	2.1
242.19289	1.6
252.58023	1.7
255.15852	47.3
257.18884	3.5
269.17276	10.3
275.19989	18.9
276.77042	1.8
331.71854	1.6
349.23654	12.9
409.25891	1.8
435.27502	22.1
449.28873	72.7
529.34973	29.0
547.36096	6.3
653.86157	1.8
685.58521	1.7
693.62085	1.8
726.42535	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	744.4524
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70390	1.2
53.03925	2.1
55.01859	7.0
55.05503	26.8
57.03426	17.6
57.07064	2.4
60.08156	2.4
61.02920	2.6
65.03944	1.3
66.73756	1.4
67.05491	66.1
69.03397	1.7
69.07055	26.1
69.35110	1.5
69.57601	1.4
70.53348	1.4
71.01333	1.7
71.04984	6.2
71.75369	1.3
75.53754	1.5
79.05473	62.2
81.03392	2.4
81.07038	100.0
83.04970	13.0
83.08598	13.6
85.02893	2.2
85.06528	5.8
86.09695	23.8
91.05460	43.1
93.07022	59.7
95.04954	16.3
95.08578	27.6
97.02856	2.0
97.06523	16.5
97.10148	9.3
98.98447	2.0
105.07008	31.2
107.04965	8.1
107.08573	41.6
109.06499	24.3
109.10145	11.8
111.08074	3.6
112.08305	1.6
117.06994	12.2
119.08557	31.4
121.06470	3.2
121.10143	20.1
123.08067	7.8
123.11700	6.4
124.99941	13.5
125.09634	3.5
129.06975	2.4
131.08549	13.3
133.10118	19.9
135.08034	3.6
135.11671	43.3
137.09592	2.1
139.50459	1.4
145.10088	20.9
147.11653	16.2
149.09631	7.2
149.13248	2.2
151.11201	1.8
154.01585	1.7
157.10094	6.7
159.11674	7.8
161.09514	2.1
161.13246	2.4
163.11131	13.9
165.12741	1.7
171.11699	2.4
173.13248	3.0
175.11185	2.8
181.12271	2.4
183.11629	2.8
184.07300	46.2
193.12282	1.9
229.19669	1.9
247.20531	2.2
255.15855	46.8
257.18930	2.5
275.20001	30.8
293.21097	7.4
295.02521	2.4
349.23782	15.9
367.24478	11.0
479.54468	1.8
529.35144	83.9
547.36230	52.7
612.08459	1.6
744.43732	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	744.4521
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
53.09537	2.6
55.01858	13.6
55.05504	58.0
57.03425	32.3
59.96067	2.7
60.08163	4.9
65.03909	2.9
67.05490	100.0
69.03392	4.6
69.07060	31.3
69.36461	2.9
71.01340	3.4
71.04945	10.6
79.05468	81.2
81.03391	5.4
81.07040	91.8
83.04946	21.0
83.08612	33.0
85.02879	4.6
85.06522	13.3
86.09691	46.4
91.05447	88.7
93.07019	96.5
95.04927	23.8
95.08570	43.5
97.06514	21.3
97.10146	13.3
98.98421	4.2
104.10713	3.4
105.07009	84.0
107.04933	15.1
107.08578	78.0
109.06508	16.1
109.10143	59.3
111.08020	5.6
117.06988	27.9
119.08568	58.8
121.06449	4.5
121.10113	27.6
123.08067	5.3
123.11687	5.4
124.99968	33.8
125.09657	4.3
129.06967	12.0
131.08534	33.2
133.10095	82.7
135.08049	6.8
135.11670	49.1
143.08539	13.5
145.10107	36.0
147.11668	25.0
149.09587	18.1
149.13306	6.3
151.11163	19.7
157.10130	4.6
159.11678	11.6
161.13234	15.1
163.11163	19.4
165.12712	3.1
171.11667	6.3
173.13196	11.0
175.14812	3.8
175.35081	2.9
175.58733	2.9
181.12210	5.1
184.07306	96.0
190.58148	3.2
213.82695	3.1
219.80948	3.5
239.17975	4.2
241.19545	4.1
253.14340	41.2
255.15829	57.1
257.18936	3.3
259.20361	20.9
271.15332	22.3
275.20020	40.6
288.30038	3.2
293.20996	3.4
333.23987	25.2
349.23538	28.1
367.24744	5.2
529.35059	85.3
547.36145	63.8
548.69659	3.3
744.43823	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	744.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.4
53.03925	2.6
54.81504	1.0
55.01865	7.7
55.05502	49.4
57.03429	20.8
57.07063	1.1
60.08150	8.0
61.02908	1.9
67.05491	65.4
67.80740	1.0
69.03410	2.3
69.07053	28.0
71.01325	1.5
71.04981	9.7
71.07350	4.6
75.85017	0.9
79.05472	70.2
81.03377	9.9
81.07036	41.9
83.04961	17.9
83.08604	31.7
83.70343	1.0
85.02905	7.9
85.06516	2.5
86.09689	53.7
91.05461	40.5
92.08576	2.0
92.63773	1.1
93.07022	69.1
95.04948	76.8
95.08584	25.8
96.59681	1.1
97.06507	13.2
97.10143	20.5
98.98425	5.7
99.04420	1.9
99.08075	1.6
104.10715	2.5
105.07002	34.0
107.04953	13.8
107.08569	50.4
109.06508	9.8
109.10141	15.8
111.04432	8.4
111.08062	7.5
117.06984	13.8
119.08556	25.9
121.06520	8.7
121.10108	23.4
123.08039	6.4
123.11709	1.2
124.99982	38.5
125.09589	8.0
129.06978	2.6
130.07753	1.4
131.08539	13.8
133.10115	15.0
135.08018	6.0
135.11668	47.7
137.09570	2.0
139.11197	2.1
141.06911	1.4
143.08522	2.1
143.21776	1.2
145.10103	28.1
147.08018	6.2
147.11700	8.8
149.09598	26.2
151.11121	2.1
153.12715	1.3
155.08527	2.1
157.10062	1.6
159.11642	7.9
161.09604	1.8
163.11142	35.0
165.12585	3.3
169.10078	1.7
171.11620	1.6
173.13162	1.5
175.11185	1.9
177.12721	4.4
181.12198	6.2
184.07309	100.0
187.11107	4.5
187.12828	1.0
189.11160	2.4
197.13274	1.7
199.13222	1.7
205.12221	6.7
223.13239	20.3
229.19574	1.2
239.17828	2.0
255.15865	65.6
257.18924	4.6
275.20007	42.2
293.21039	23.2
349.23697	15.3
367.24725	23.0
529.35156	35.5
540.50079	1.1
547.36200	88.1
548.36053	1.8
629.10468	1.1
744.44714	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	744.4522
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08596	1.0
53.00302	1.1
53.03934	3.0
54.81801	1.4
55.01857	8.0
55.05499	27.2
57.03424	25.9
57.07076	2.0
60.08134	2.1
61.02895	2.2
63.55150	1.2
65.03935	1.5
66.21559	1.3
67.05488	89.7
69.03411	7.5
69.06709	1.9
69.07051	32.7
71.01337	2.1
71.04971	9.8
71.07365	1.6
75.75371	1.2
77.03878	1.5
79.05465	73.0
81.03397	12.0
81.05137	1.1
81.07030	73.2
82.91730	1.2
83.04958	19.0
83.08593	8.6
85.02888	7.3
85.06531	5.5
86.09680	20.2
91.05453	46.6
92.64035	1.3
93.07014	94.9
95.04938	18.6
95.08590	25.1
95.68113	1.5
97.02838	2.0
97.06494	19.4
97.10148	11.4
98.98428	1.8
99.04422	1.6
99.08073	1.9
104.10713	2.2
104.61123	1.5
105.04532	1.4
105.07002	30.7
107.04928	9.8
107.08566	52.0
107.15414	1.3
109.06527	3.1
109.10130	15.0
111.08064	7.4
115.03124	1.2
117.07008	14.3
119.08553	26.3
121.06486	5.2
121.10109	17.1
123.08064	2.5
124.99974	14.3
125.09589	1.5
129.07025	2.9
130.07724	1.5
131.08519	20.6
133.10089	22.3
135.08049	5.4
135.11658	52.9
137.09621	5.7
141.07069	1.6
142.07869	1.4
143.08534	2.2
145.10095	21.6
147.08081	1.8
147.11656	8.8
149.09612	8.9
149.13245	9.0
151.11145	1.6
155.08525	1.7
157.10109	2.7
159.11697	8.3
161.13162	1.8
163.11147	11.3
173.13239	3.2
177.12706	1.7
181.12169	3.0
183.11707	1.6
184.07277	45.4
201.84967	1.2
210.04410	1.3
227.12794	2.4
255.15829	51.2
257.19016	5.8
269.17389	14.2
275.20142	11.2
286.54510	1.3
294.97433	1.3
311.55255	1.8
349.23727	6.4
398.53445	1.5
435.27087	21.6
449.28848	100.0
529.35114	26.0
547.36035	9.9
667.61914	1.6
683.10901	1.7
726.42725	2.9
744.44183	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	743.3815
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27371	1.1
55.01859	1.3
55.05511	1.5
55.72689	1.1
57.03406	1.3
60.18042	1.1
61.02917	1.8
64.30698	1.2
67.05491	4.8
73.02911	1.4
74.56039	1.4
79.05448	1.6
80.38923	1.3
81.03393	1.2
81.07027	7.8
91.03931	1.6
91.05461	2.7
92.14520	1.1
93.07022	2.4
95.04948	1.8
95.08583	1.9
97.02866	1.7
105.06992	2.4
135.11702	1.7
140.54192	1.3
156.48062	1.3
178.60420	1.3
185.04184	2.5
204.31729	1.5
243.08247	2.3
299.91739	1.3
301.08862	5.1
385.18195	2.2
400.51740	1.3
437.87756	1.5
441.37976	1.7
453.21045	2.1
469.19986	1.8
483.21964	2.3
515.69531	1.5
567.31311	100.0
602.88367	1.5
697.37390	14.8
741.36407	5.4
743.37671	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	744.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.30039	0.9
55.05490	6.5
57.03416	4.6
60.08141	8.8
67.05484	19.4
69.03404	1.3
69.07040	5.0
71.04996	1.2
71.07343	2.5
75.89523	1.1
79.05471	17.9
81.03407	1.0
81.07034	19.4
83.04953	4.7
83.08584	1.7
85.02902	2.4
86.09687	47.1
86.10181	2.1
91.05470	12.3
93.07021	17.8
95.04946	2.8
95.08558	8.2
97.06526	1.7
97.10149	1.6
98.98426	2.3
103.90343	1.1
104.10712	2.6
105.07018	10.4
107.04926	2.0
107.08554	14.0
109.06510	1.5
109.10121	4.3
111.08058	1.0
117.06982	6.1
119.08534	9.1
121.10103	4.5
123.83089	1.1
124.99971	28.2
131.08528	7.1
133.10103	6.6
135.11656	11.0
143.08516	1.4
145.10095	6.6
147.11707	4.5
157.10054	1.4
159.11655	2.3
163.11157	2.2
181.12222	1.5
184.07298	100.0
255.15862	10.2
257.18893	2.4
269.17239	1.7
275.20053	2.7
349.23727	2.2
428.23181	1.2
435.27286	4.6
449.28766	7.6
455.09161	1.2
529.34906	6.7
744.44263	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	744.4485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.0
54.30039	0.9
55.05490	6.5
57.03416	4.6
60.08141	8.8
67.05484	19.4
69.03404	1.3
69.07040	5.0
71.04996	1.2
71.07343	2.5
75.89523	1.1
79.05471	17.9
81.03407	1.0
81.07034	19.4
83.04953	4.7
83.08584	1.7
85.02902	2.4
86.09687	47.1
86.10181	2.1
91.05470	12.3
93.07021	17.8
95.04946	2.8
95.08558	8.2
97.06526	1.7
97.10149	1.6
98.98426	2.3
103.90343	1.1
104.10712	2.6
105.07018	10.4
107.04926	2.0
107.08554	14.0
109.06510	1.5
109.10121	4.3
111.08058	1.0
117.06982	6.1
119.08534	9.1
121.10103	4.5
123.83089	1.1
124.99971	28.2
131.08528	7.1
133.10103	6.6
135.11656	11.0
143.08516	1.4
145.10095	6.6
147.11707	4.5
157.10054	1.4
159.11655	2.3
163.11157	2.2
181.12222	1.5
184.07298	100.0
255.15862	10.2
257.18893	2.4
269.17239	1.7
275.20053	2.7
349.23727	2.2
428.23181	1.2
435.27286	4.6
449.28766	7.6
455.09161	1.2
529.34906	6.7
744.44263	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78207	1.4
53.00294	1.8
53.03933	3.0
54.81635	1.5
55.05501	25.9
57.03426	19.0
57.07069	2.3
58.11140	1.5
61.02913	3.1
65.03933	2.7
66.19963	1.7
67.05492	79.6
69.03441	2.2
69.07050	30.0
69.81285	1.5
71.04971	3.4
75.33170	1.5
77.98724	1.8
79.05474	72.9
81.03402	9.3
81.07038	100.0
83.04966	8.0
83.08626	14.1
85.02888	3.1
85.06527	2.1
86.09683	10.0
91.05457	75.6
91.68586	2.0
91.69210	1.8
92.09489	2.8
93.07020	85.9
95.04944	19.8
95.08588	37.0
97.02841	2.8
97.06507	11.1
97.10149	3.4
100.62296	1.9
103.05420	1.7
105.07001	62.5
105.07658	3.0
107.04919	3.4
107.08573	49.8
109.06500	7.0
109.10142	12.0
111.08088	7.5
117.06996	20.4
119.08559	49.1
121.10099	19.8
123.11736	4.4
125.00014	3.8
125.09624	2.3
129.06973	12.1
131.08539	21.6
132.29184	1.7
133.10103	43.6
135.08080	2.7
135.11670	17.6
142.07689	1.9
143.08563	9.8
145.10146	21.3
147.11671	28.7
149.13185	14.0
155.08525	2.1
157.10136	7.4
159.11659	17.1
161.13257	13.0
169.10034	2.2
171.11708	8.4
173.13260	7.5
175.14891	3.3
177.12633	2.6
184.07318	17.0
185.13170	4.2
195.13782	9.0
199.14853	3.0
215.34991	2.1
221.15393	1.9
241.19472	11.5
259.20526	39.5
267.15875	3.4
269.17435	40.0
315.23080	2.2
333.24161	40.3
335.25369	2.5
375.80289	2.0
401.67511	1.9
527.37225	47.9
545.38379	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	743.3449
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	4.7
57.03419	2.3
59.04989	1.1
59.94003	0.9
61.02922	8.0
67.05486	16.4
68.05801	0.9
69.03394	4.8
69.07034	1.1
71.04962	1.8
73.02878	2.4
76.87050	1.2
79.05462	4.2
79.60725	0.8
81.03388	7.4
81.07030	9.6
83.04921	1.5
83.08599	1.7
85.02885	8.2
91.03919	4.2
91.05466	9.4
93.07000	6.0
95.04947	2.1
95.08574	4.6
97.02876	8.1
97.06525	1.2
99.04430	2.0
101.02328	4.7
105.06973	4.1
107.04897	1.1
107.08575	1.6
109.02814	1.6
109.10139	14.5
117.06981	1.2
119.08569	2.3
121.10094	1.7
131.08562	1.9
133.10123	1.4
135.11636	1.6
145.10107	1.9
163.11124	1.8
167.58116	1.1
173.11676	4.2
184.07346	1.0
208.63948	1.0
209.11716	1.0
210.07004	1.1
229.14330	4.6
243.08380	2.3
413.17654	11.9
467.18719	14.1
469.20313	1.4
515.24304	1.4
581.95355	1.1
639.29730	100.0
640.29468	1.8
743.36304	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	742.4654
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.4
55.05489	2.1
56.05021	0.5
56.33519	0.4
56.96600	0.4
60.08149	9.1
60.59512	0.3
62.22519	0.3
64.12463	0.4
67.05492	4.0
69.07043	0.8
71.04963	0.4
71.07340	3.8
75.33912	0.4
77.84084	0.4
79.05473	4.0
81.03376	0.5
81.07043	4.6
82.07357	0.6
83.04952	0.5
83.08598	0.8
85.06480	0.5
86.09686	47.0
91.05429	4.6
92.05759	0.5
92.68278	0.4
93.07005	4.3
95.04937	1.9
95.08575	2.8
96.09000	0.4
96.09659	0.5
97.10124	0.4
98.98420	3.6
104.10707	3.6
104.25408	0.4
105.07037	4.9
107.08566	2.4
108.08871	0.5
109.06464	0.8
109.10127	0.9
117.07004	0.7
119.08532	2.9
121.10090	0.7
124.99974	32.7
129.06903	0.5
131.08517	2.3
133.10086	3.3
135.11617	0.5
136.56708	0.4
137.36540	0.5
143.08545	0.7
144.83253	0.4
145.10074	1.9
147.11703	0.9
157.10152	0.8
159.11565	0.8
184.07298	100.0
202.52316	0.4
532.84949	0.4
545.35052	0.5
724.45221	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	742.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.6
53.03904	2.2
55.01860	3.7
55.05298	1.7
55.05503	25.0
56.63504	1.6
57.03431	16.2
57.07061	4.0
59.74971	2.0
60.69120	1.9
61.02911	4.0
65.03930	1.8
67.05495	77.8
67.44350	1.7
69.07053	31.9
71.04959	4.0
73.02903	2.3
75.11451	1.5
79.05473	71.7
81.03398	6.2
81.07039	94.6
83.04961	10.9
83.08601	14.8
85.02861	2.4
85.06525	3.4
86.09685	8.0
91.05459	64.0
92.08718	2.2
92.09177	2.2
93.07022	100.0
95.04934	13.1
95.08581	42.3
97.06499	11.3
97.10194	5.2
99.08090	2.0
105.07008	74.7
107.04894	2.4
107.08572	53.5
109.06483	3.6
109.10104	13.5
111.08072	3.3
117.06975	24.9
119.08550	55.5
121.10129	27.7
123.08039	1.9
123.11687	2.9
125.00022	3.2
129.06981	11.2
131.08551	27.9
133.10101	49.4
135.08052	2.3
135.11652	18.5
143.08540	10.2
145.10101	23.6
147.11659	32.8
149.13213	29.4
155.08479	3.3
157.10063	11.5
159.11671	21.8
161.13251	22.0
161.99097	2.4
167.08482	2.6
169.10025	2.6
171.11577	13.1
173.13242	9.6
175.14790	8.0
177.12692	2.2
183.11623	2.2
184.07358	18.0
185.13249	9.7
187.14825	2.9
195.11737	2.1
195.13747	3.9
197.13145	2.3
199.14807	4.6
213.16425	2.7
241.19490	18.3
259.20505	55.6
267.15921	8.6
269.17392	51.8
333.24170	37.5
435.32404	2.8
471.34048	2.2
509.36154	3.1
527.37158	65.5
545.38092	20.9
724.21521	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4364
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	9.2
55.05502	36.4
57.03422	16.4
57.07066	1.9
57.61261	1.9
58.19827	1.7
61.02910	1.8
67.05489	54.9
69.03423	12.7
69.07049	33.0
69.12373	2.0
71.01330	2.1
71.04977	2.6
72.69702	2.1
73.06502	1.8
79.05476	51.7
81.03403	8.6
81.07040	41.6
83.04965	12.5
83.08613	16.2
85.02905	3.4
86.09689	4.8
91.05453	28.3
92.05833	2.2
93.07022	56.0
95.04936	16.1
95.08585	19.0
97.02868	10.7
97.06532	7.9
97.10152	17.8
103.89156	1.9
105.06992	22.6
107.04928	8.4
107.08582	35.8
107.38044	2.0
109.06510	3.9
109.10136	15.5
111.08072	2.5
117.07018	12.4
119.08580	22.1
121.06483	2.8
121.10122	10.3
123.08053	3.6
125.00005	3.6
125.09616	9.2
129.06961	8.3
129.11478	1.8
131.08569	9.3
133.06471	2.4
133.10109	11.7
135.08049	2.7
135.11667	27.6
137.09595	3.0
142.78622	2.5
143.08525	4.6
145.10147	16.3
147.08043	4.7
147.11722	3.2
149.09570	2.6
151.11252	2.5
153.80174	1.9
157.10097	4.3
159.11667	2.5
163.11121	4.7
181.12207	3.8
184.07321	13.7
213.74162	2.3
223.13229	14.8
227.12730	3.1
249.14828	3.9
255.15845	37.9
273.18484	10.5
291.19489	86.1
365.23071	25.6
425.24951	2.1
428.55548	2.5
447.27414	2.2
533.42224	2.0
545.34613	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82554	3.2
53.03926	3.7
53.11473	3.1
53.24804	2.7
54.81477	3.0
55.01869	5.8
55.05508	30.1
56.99297	2.9
57.03418	17.5
67.05487	100.0
69.03416	6.5
69.07057	26.9
71.04973	19.6
77.13281	3.7
79.05038	6.2
79.05465	77.1
80.05790	3.9
81.03394	20.7
81.07037	87.7
83.04956	16.7
83.08601	7.0
83.77123	3.9
85.02908	5.0
85.06525	13.8
86.09686	23.9
89.02155	3.2
91.04959	4.4
91.05469	69.2
91.39145	3.5
93.07022	87.5
93.42760	3.4
95.04943	20.4
95.08588	32.2
96.06063	3.6
97.06487	19.3
97.10112	4.1
105.07008	72.1
107.04964	7.7
107.08566	79.6
109.06431	5.3
109.10143	61.0
117.07011	20.5
119.08534	27.1
121.06473	6.6
121.10110	16.3
123.11662	14.4
124.99980	19.5
131.08548	24.1
133.06595	4.6
133.10115	77.5
135.07997	5.6
135.11681	34.4
143.08553	6.8
145.10114	20.2
147.11682	6.5
151.11168	32.2
159.08209	3.8
161.09537	5.5
184.07353	45.6
185.13243	3.9
245.19046	4.6
253.14253	65.6
255.15883	37.1
273.18353	14.8
277.52185	3.6
291.19476	20.4
347.21997	5.3
365.23218	14.0
440.19351	3.7
451.26624	34.7
527.34570	5.5
545.34589	72.5
554.30029	4.2
618.10413	4.1
668.21649	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	742.4209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	13.0
55.05501	34.3
57.03424	24.1
59.04993	1.6
61.02914	5.5
67.05139	2.1
67.05492	53.8
69.03405	8.5
69.07052	17.4
71.01340	1.6
71.04982	8.8
71.26340	0.9
73.02898	1.1
79.05476	57.0
81.03396	86.2
81.07035	49.1
81.27686	1.1
83.04964	14.1
83.08604	26.9
84.50754	1.0
85.02887	12.5
85.06525	2.5
91.04884	1.5
91.05460	45.1
93.07024	40.8
95.04940	44.0
95.08575	22.9
97.02867	7.0
97.03438	1.0
97.06501	9.5
97.10149	24.5
99.04412	1.4
105.03391	1.0
105.07005	32.3
107.04931	31.8
107.08573	26.9
109.02916	1.6
109.06504	25.2
109.10139	11.8
110.47124	1.1
111.04436	6.0
111.08052	10.3
115.05437	1.4
116.04703	2.3
117.07002	8.6
119.08566	23.5
121.06479	26.0
121.10110	24.3
123.04415	5.1
123.08033	8.8
123.11716	1.3
125.05946	1.4
125.09604	22.4
127.03864	1.3
129.05469	6.7
129.06966	13.9
131.04932	1.9
131.08537	23.9
131.09430	1.5
133.06445	6.2
133.10106	16.9
134.92307	1.0
135.08003	11.6
135.11649	6.3
137.09618	2.1
139.11168	5.9
141.06955	1.5
142.07788	2.6
143.08586	4.7
145.06487	9.8
145.10086	10.9
147.04376	1.3
147.08044	7.8
147.11653	11.1
149.09607	12.1
151.03922	1.4
153.09068	2.3
153.12785	1.3
155.08502	2.3
157.08751	1.8
157.10069	15.9
159.08037	4.4
159.11687	4.8
161.05991	1.3
161.09593	5.1
163.11150	10.5
165.04149	1.1
165.12794	1.8
167.08575	1.6
167.10715	1.1
171.07979	4.6
171.10204	2.3
171.11580	3.3
173.09589	5.3
173.11830	1.5
173.13217	2.5
175.11143	15.5
177.12703	1.3
184.07318	2.3
185.11731	2.0
187.11211	2.0
189.09715	1.6
189.11226	10.3
189.12741	3.5
191.10640	2.6
191.14276	2.7
193.10445	2.4
193.12189	34.3
197.13322	1.9
199.11258	1.6
199.13158	1.6
209.11626	8.2
211.13249	12.5
219.13760	10.4
224.59518	1.2
227.12808	4.8
233.15395	5.1
237.14983	1.3
241.14268	1.8
255.13628	2.0
257.04288	1.4
259.15356	8.7
267.15833	42.3
268.16190	1.3
270.63821	1.2
271.15195	2.2
273.14838	9.2
275.16217	1.8
283.15396	6.3
285.16925	5.6
293.17459	6.2
299.14847	2.0
301.16516	7.7
317.15829	2.5
339.23129	2.2
349.21390	4.3
367.22461	16.2
385.23547	27.6
403.24673	5.5
441.26239	7.5
451.26920	5.7
459.27283	90.5
460.27634	2.3
477.28357	100.0
478.28824	2.0
491.30432	7.7
495.29346	5.7
501.28146	1.6
509.27423	6.7
527.28351	6.7
567.29614	1.5
754.00342	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.414
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01862	1.4
55.05509	4.0
56.05020	0.3
57.03424	3.3
60.08149	7.7
61.02908	0.4
61.76757	0.3
67.05142	0.4
67.05489	8.2
69.03407	0.5
69.07043	1.8
71.01319	0.3
71.04973	0.6
71.07368	3.2
73.02882	0.4
76.30278	0.3
79.05470	6.0
81.03403	7.8
81.07036	7.3
83.04967	3.0
83.08605	2.8
85.02895	2.3
85.06521	0.4
86.09686	38.4
91.05450	7.3
93.07024	6.2
95.04957	4.6
95.08582	2.5
97.02864	1.4
97.06511	1.6
97.10155	1.6
97.29578	0.3
98.98443	2.7
104.10734	2.7
105.06988	3.8
107.04953	2.5
107.08560	3.5
108.05332	0.4
109.06511	1.3
109.10133	2.0
111.04427	2.0
111.08050	0.7
113.05997	0.4
116.04736	0.3
117.06997	1.4
119.08560	3.2
121.06464	0.5
121.10130	3.5
123.04395	0.4
123.08053	0.8
124.99969	28.3
125.09593	1.5
126.68646	0.3
129.05421	1.4
129.06987	2.2
131.08553	2.2
133.06456	0.4
133.10086	1.9
135.07944	0.6
135.11647	1.2
137.05965	0.5
143.01001	0.3
145.06444	0.3
145.10107	1.5
145.90675	0.3
147.08043	0.8
147.11630	1.3
149.09575	0.7
151.11111	0.5
153.12730	0.5
157.08559	0.5
157.10086	1.1
160.32457	0.3
163.11198	2.3
173.09531	0.6
174.90338	0.4
175.11130	1.8
181.12225	0.5
184.07297	100.0
185.07805	0.3
189.11208	0.5
191.10681	0.4
193.12206	2.7
209.11679	3.8
211.13211	1.6
227.12639	1.1
229.14360	0.5
265.14243	0.6
265.40314	0.4
267.15860	2.3
276.81894	0.4
276.95377	0.4
283.15302	2.7
284.15729	0.4
285.16809	1.9
301.16339	2.9
459.27264	4.5
477.28018	2.7
495.28885	0.4
509.27435	1.2
526.66260	0.4
527.28271	1.8
642.33868	17.4
643.34033	0.4
650.91925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	742.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08393	1.7
53.03934	10.0
54.82042	2.0
55.01862	28.2
55.05234	2.1
55.05505	63.4
57.03426	43.8
57.07045	3.8
61.02908	10.8
65.03915	4.3
66.47037	2.1
67.05140	3.9
67.05492	100.0
67.50523	2.1
69.03423	17.2
69.06770	1.7
69.07058	32.0
71.01340	3.5
71.04964	13.1
72.34126	1.6
73.02883	11.6
79.05474	92.3
79.32060	2.2
80.05766	2.9
80.06239	2.4
81.03399	84.3
81.07035	86.5
82.04173	3.8
83.01303	2.2
83.04958	41.8
83.08614	38.2
85.02891	27.3
85.06519	3.1
91.03948	3.2
91.04883	2.5
91.05459	76.3
93.07020	77.8
94.04181	2.0
95.04945	61.1
95.08581	34.8
97.02865	28.9
97.06511	15.7
97.10146	29.5
98.07336	4.7
99.04474	3.4
105.07028	49.4
107.04945	28.5
107.08573	47.4
109.02925	2.3
109.06474	21.2
109.10134	31.2
111.04424	36.6
111.08068	13.1
113.05988	2.3
116.04707	14.6
117.06989	18.3
119.04948	2.1
119.08561	42.3
121.06511	17.5
121.10114	48.7
123.04441	3.5
123.08086	15.1
123.11621	3.7
125.05923	3.1
125.09602	26.3
128.06161	2.4
129.05450	33.6
129.06969	20.6
130.07732	2.0
131.04921	2.6
131.08539	33.5
133.06435	8.0
133.10104	27.1
135.08029	14.1
135.11671	17.0
137.09584	4.5
139.11176	10.0
141.06889	2.1
143.07022	7.1
143.08560	5.0
145.06456	7.4
145.10114	18.6
147.04306	2.3
147.08060	8.4
147.11711	19.8
149.09637	18.8
151.11165	3.5
153.12500	3.0
155.08569	3.1
157.08749	20.0
157.10106	18.1
158.05794	2.5
159.11687	2.4
161.09601	3.7
163.11131	18.0
167.10489	2.1
171.08188	2.4
171.10133	4.6
171.11620	3.2
173.09578	9.2
173.11723	4.4
173.13164	3.1
175.11160	16.0
185.11780	2.5
189.09198	2.4
189.11168	14.1
189.12740	3.5
191.10629	12.6
191.14230	2.2
193.12213	34.8
199.13275	2.8
200.13858	2.3
205.12273	2.1
209.11693	99.0
211.13268	23.2
219.13748	12.1
223.13321	2.8
227.12711	28.6
229.14282	7.3
233.15331	2.8
235.13239	2.0
241.14264	4.5
259.15445	3.5
267.08966	2.8
267.15869	38.0
283.15405	33.4
285.10010	3.1
285.16986	14.2
293.17416	2.4
299.14725	3.1
301.16437	62.9
317.15872	2.4
349.21396	2.9
367.22617	4.7
385.23602	17.7
405.72379	2.3
429.26038	2.7
441.25934	4.3
443.47617	2.1
447.27359	3.4
451.62875	2.3
459.27277	58.3
475.27005	4.5
477.28360	51.1
492.27060	2.8
493.27756	9.6
495.29224	4.3
501.27692	2.7
509.26920	25.2
510.27817	3.0
512.29236	2.6
527.28241	24.8
579.35083	2.3
622.23175	2.2
656.31189	2.9
755.85889	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	742.3854
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.6
53.03928	6.2
55.01866	26.4
55.05503	53.1
57.03176	2.3
57.03429	39.1
57.07044	2.8
59.04984	3.5
60.31501	1.4
61.02892	9.6
65.03917	2.4
67.05491	100.0
69.03406	8.6
69.07046	17.6
71.01321	2.7
71.04971	9.4
72.87032	1.4
73.02903	6.8
79.05473	59.9
81.03396	44.9
81.07034	57.2
82.04189	2.3
83.04957	25.7
83.08598	20.9
85.02886	18.9
85.06518	3.6
87.04453	6.6
91.03941	2.6
91.05454	50.5
93.07021	40.1
95.04932	28.8
95.08585	24.8
97.02844	11.9
97.06508	11.4
97.10136	27.6
97.82740	1.8
98.07264	6.7
99.04411	3.3
99.08075	2.4
105.06998	32.1
107.04929	13.2
107.08570	25.7
109.02854	7.9
109.06476	7.8
109.10135	57.0
111.04420	7.6
111.08064	7.4
115.05371	2.0
116.04687	14.1
117.07000	9.9
119.04881	1.8
119.08548	21.7
121.06445	6.5
121.10136	14.0
123.08037	9.1
125.09600	23.5
127.03886	1.8
129.05464	37.7
129.06981	8.0
131.08522	13.2
133.10110	15.1
135.07971	7.9
135.11632	14.0
137.09622	2.9
142.07784	1.9
143.07001	3.9
143.08626	2.2
145.10086	10.9
147.04393	3.7
147.08005	2.5
147.11658	7.3
149.09584	3.4
151.11180	3.5
155.08521	1.6
155.10719	1.7
157.08571	17.0
157.10081	9.1
161.09572	3.2
163.11151	14.8
169.04933	2.6
171.10152	3.2
173.11720	14.4
175.11142	8.7
181.12187	2.6
189.11180	8.4
191.10609	3.7
193.12187	10.2
199.13251	11.7
209.11691	13.7
211.13191	2.3
227.12714	14.5
229.14328	39.8
255.15855	3.9
267.15869	16.4
283.15491	13.7
284.15735	1.8
285.16733	3.9
301.16385	38.0
339.99533	1.6
383.24088	6.4
385.23669	2.1
403.48270	1.8
405.17953	1.8
437.25296	2.6
455.26379	19.3
459.27264	19.6
477.28296	13.3
509.26965	2.9
527.28467	24.0
545.29443	13.8
666.80005	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4574
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68623	2.0
53.21992	2.2
55.01862	12.4
55.05505	25.3
57.03432	11.7
61.02913	2.6
62.13906	2.3
65.03936	2.3
65.36627	2.4
67.05492	48.3
69.07059	23.9
71.04954	2.6
79.05466	39.1
81.03421	5.2
81.07039	68.2
83.04947	10.8
83.08612	15.6
86.09689	3.3
91.05468	46.1
93.07030	54.1
95.01329	4.2
95.04946	13.4
95.08575	40.7
97.06512	17.3
105.07011	52.8
107.04903	5.8
107.08566	30.5
109.06500	5.3
109.10149	6.5
110.88416	2.8
111.08052	4.8
117.06991	21.8
119.08571	29.9
121.10106	19.0
123.04434	2.9
129.07021	3.9
131.08604	22.7
133.10094	30.3
135.07990	6.2
135.11678	4.8
142.07748	3.1
143.08548	10.8
145.10088	18.5
147.11688	14.7
149.09616	6.3
149.13235	5.8
155.08597	4.0
157.10143	3.6
159.11678	13.2
163.11217	3.8
169.10085	4.3
171.11655	3.3
173.13295	2.9
177.12720	3.5
179.14258	3.8
191.31534	2.4
267.48560	3.1
269.17343	19.2
275.19986	17.1
277.73746	3.2
349.23901	4.9
354.96036	2.9
380.98959	3.2
525.35840	5.4
543.36749	100.0
642.45575	3.3
732.12830	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	741.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58858	0.8
61.33109	0.9
68.99779	6.5
69.03414	1.5
81.03392	2.4
85.02894	4.4
97.02847	1.1
99.04430	1.4
106.70638	0.9
107.04929	6.2
109.02885	4.5
111.00772	1.6
111.04423	10.9
121.02828	1.3
123.04407	63.1
127.03892	100.0
131.04909	3.9
135.04395	51.0
137.02306	2.6
139.03877	83.9
143.04839	1.3
143.38051	1.1
145.06439	1.3
147.04425	9.1
149.02322	5.7
149.05977	1.4
151.03868	14.5
159.04358	2.6
161.05986	1.7
163.03867	38.4
165.05421	5.6
167.03415	8.4
167.07213	1.2
173.05901	2.2
175.03914	4.2
177.05447	5.6
179.03401	4.9
181.04955	1.6
181.06456	1.4
185.05907	1.7
187.03847	9.8
189.05434	1.8
191.03394	14.9
193.04973	6.3
197.05917	2.0
201.05406	11.8
203.03360	9.2
203.06976	2.1
205.04950	2.6
209.05917	1.3
213.05432	1.6
215.07074	2.3
217.04886	1.4
225.05472	1.4
226.92154	1.1
229.04962	9.3
231.06499	1.6
233.04401	2.6
237.05421	1.4
241.04863	1.2
243.06480	6.0
245.04370	7.2
247.05972	22.7
255.06494	5.1
257.04370	15.0
259.06021	8.9
261.07516	1.4
271.05942	18.0
273.07596	2.0
275.05389	10.6
283.05908	12.4
287.05463	20.0
289.06995	20.7
291.08435	11.6
299.05402	5.6
301.07120	7.4
325.07272	1.2
409.09064	20.4
409.57852	1.1
427.10089	10.5
579.14722	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	741.366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.9
54.19627	0.3
55.01864	0.7
55.05271	0.4
55.05490	3.2
57.03419	4.0
58.44678	0.3
59.04993	0.4
61.02910	5.3
63.73072	0.3
67.05485	8.2
69.03413	4.0
69.07060	2.2
69.95911	0.3
71.04971	8.4
73.02894	5.2
79.05469	6.6
81.03399	7.3
81.07032	7.9
82.07357	0.8
83.04973	2.8
83.08587	3.7
85.02885	7.6
85.06531	0.5
87.04441	0.5
91.03928	3.0
91.05458	7.1
92.08656	0.9
93.07017	5.2
95.04943	6.3
95.08578	3.1
97.02863	4.3
97.06509	2.2
97.10164	0.7
99.04456	1.9
101.02398	2.1
105.07002	6.6
105.07572	0.4
107.04948	2.8
107.08551	4.0
109.02847	0.9
109.06512	1.9
109.10155	1.8
111.04461	0.7
111.08088	0.9
117.07009	0.9
119.08531	5.1
121.06519	0.7
121.10122	3.1
123.08082	1.0
123.11727	0.6
125.09602	1.6
127.03929	1.0
129.06982	0.9
131.08537	2.9
133.06419	0.4
133.10123	2.5
135.08101	0.5
135.11705	1.8
137.09610	0.6
145.10118	2.9
147.08043	0.4
147.11708	2.4
149.09616	1.7
157.10149	2.0
163.11166	2.8
171.11697	0.4
173.09547	0.6
175.11176	0.8
176.06401	0.4
185.04311	0.5
193.12265	2.1
203.05215	0.5
229.14290	0.4
243.08313	4.4
251.12596	0.6
265.14273	0.8
267.16019	0.9
269.17548	0.5
285.17044	0.6
295.15149	2.4
307.15262	0.5
439.26437	0.6
449.32764	0.4
461.29004	2.6
462.29303	1.7
467.18805	0.9
469.20303	7.3
483.22009	0.6
513.22955	7.3
515.24213	0.8
740.68323	0.5
741.36475	100.0
742.37128	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.3
53.03931	2.9
54.10511	1.0
54.81793	1.3
55.01848	2.3
55.05504	16.8
57.03419	10.5
57.07068	1.3
59.04983	1.8
67.05491	37.1
69.03405	1.9
69.07043	7.8
71.04980	15.3
73.06507	1.5
79.05473	23.6
81.03404	36.6
81.07035	61.1
83.04972	8.7
83.08607	11.5
85.02881	2.1
85.06517	4.8
89.37946	1.1
91.05465	26.1
93.07020	20.3
95.04944	18.8
95.08583	11.6
97.02856	1.8
97.06510	2.9
97.10128	6.7
99.73645	1.1
105.07021	17.6
107.04939	16.1
107.08603	16.1
109.06484	11.7
109.10162	10.1
111.04430	1.8
111.08031	2.4
117.06985	6.1
119.08560	11.7
121.06464	11.8
121.10096	8.9
123.08064	2.4
123.11676	9.0
125.09579	4.8
127.03938	1.3
128.06194	1.4
129.06970	7.2
131.04912	1.0
131.08549	14.9
131.59280	1.1
133.06491	2.6
133.10104	13.3
135.07991	4.8
135.11649	5.2
143.08557	2.1
145.06453	4.9
145.10085	2.7
147.07967	2.0
147.11646	6.8
149.09572	4.6
149.13281	1.5
151.11179	2.8
155.08633	1.4
157.10112	6.9
159.11635	6.4
163.11113	1.7
169.10110	1.6
171.11615	1.3
173.13271	2.0
175.11153	5.7
177.12718	1.4
185.13229	1.3
189.09183	1.3
189.12730	1.6
191.14369	1.3
193.12239	7.3
205.12274	1.7
219.13704	6.9
255.61935	1.1
267.15915	11.0
285.16766	1.4
301.20245	2.4
325.21622	1.2
343.22601	7.3
360.01285	1.6
369.24438	2.0
382.51862	1.4
417.26001	2.7
435.27286	12.7
439.26846	2.3
443.27899	7.8
461.28918	100.0
493.31244	6.3
657.71027	1.5
753.55200	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.9
55.01860	16.3
55.05501	28.8
57.03423	26.4
57.07067	1.7
57.16917	0.7
58.63282	0.8
59.04983	1.2
61.02907	1.2
65.03911	0.9
67.05487	36.9
68.50602	0.8
69.03413	6.4
69.07051	10.7
71.04977	5.2
73.02903	3.7
76.89140	0.7
79.05469	35.6
81.03394	100.0
81.07032	30.1
82.03746	1.0
82.04175	3.6
83.04958	23.3
83.05424	1.0
83.08600	25.7
85.02896	5.7
85.06517	1.7
86.08972	0.7
91.05453	34.1
93.07016	26.6
93.07563	0.9
94.04145	1.1
95.04939	39.3
95.08591	15.5
97.02854	7.5
97.06508	10.9
97.10146	16.2
98.07302	6.8
99.04409	1.0
99.08066	1.4
105.07005	20.5
107.04937	14.7
107.08578	18.0
109.06486	7.8
109.10141	12.2
111.04424	6.8
111.08025	9.9
114.98556	0.8
115.05411	2.0
116.04677	15.6
117.05466	3.5
117.06991	5.5
119.04929	1.6
119.08552	22.9
121.02795	2.9
121.06471	7.9
121.10114	12.5
123.04427	2.0
123.08010	7.2
125.09611	13.5
129.05461	30.9
129.06938	12.8
131.08531	14.5
133.06471	5.6
133.10101	7.2
135.04388	2.0
135.08025	1.9
135.11658	8.3
137.09550	3.6
142.07771	3.8
143.07027	8.8
143.10674	1.0
145.06551	1.2
145.10071	7.2
147.04388	1.6
147.08043	6.0
147.11652	11.8
149.09584	8.9
153.09097	1.2
153.12708	11.2
155.08510	1.5
157.06575	0.9
157.08577	15.6
157.10112	14.8
159.08040	1.1
160.71762	0.8
163.11124	12.4
165.12749	3.4
169.10127	0.9
171.06467	1.2
171.07959	0.9
171.10124	6.2
173.09526	1.4
173.11699	1.7
175.11136	13.5
181.12209	8.8
185.11705	1.1
185.13237	1.1
189.11162	10.2
189.12552	0.8
191.10623	4.3
193.12186	30.6
194.12637	1.6
199.13248	1.9
200.14009	1.6
201.12883	1.3
201.14856	3.5
205.12209	0.9
209.11681	5.7
211.13255	7.9
219.13835	3.2
227.12700	22.1
229.12422	1.1
229.14226	8.3
231.13853	0.9
247.13211	14.5
249.14848	3.1
259.13077	1.1
267.15823	58.8
268.15982	1.6
283.15344	12.4
286.17218	0.8
301.16357	23.6
321.16873	8.2
339.18051	1.2
349.20209	1.5
365.21329	1.0
383.22034	1.5
401.23138	1.3
457.25238	1.3
459.27176	3.4
461.27530	0.9
475.26740	14.1
476.27579	1.1
477.28442	1.1
493.27841	25.9
494.28232	1.0
497.30014	0.9
525.31079	1.3
657.32727	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	740.4056
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.4
55.01857	6.4
55.05504	49.0
57.03172	2.1
57.03428	37.7
57.07045	1.3
59.04990	34.5
61.02900	8.5
67.05491	100.0
69.03417	9.9
69.07050	14.7
70.35509	1.3
71.04971	16.2
71.80409	1.6
73.02917	1.8
78.08152	1.3
79.01311	1.4
79.05473	48.8
81.03394	63.2
81.03867	2.4
81.07034	56.1
83.04966	21.7
83.08603	32.7
85.02890	32.2
85.06533	3.3
87.04448	40.7
91.00744	1.5
91.05458	52.4
93.07016	35.9
95.04948	33.1
95.08576	17.2
97.02867	7.3
97.06505	5.4
97.10137	19.1
99.04426	14.2
105.07011	26.8
106.07268	1.5
107.04947	15.5
107.08571	14.5
109.06506	6.3
109.10133	53.1
111.04422	6.4
111.08051	10.0
117.07000	1.8
119.08563	32.0
121.06439	1.6
121.10120	11.5
123.08009	3.0
125.09603	9.1
127.03889	1.7
129.05424	1.6
129.07025	13.0
129.07848	1.4
131.08533	17.9
133.06473	3.3
133.10118	11.0
135.11674	2.4
137.09607	3.5
142.07785	2.2
145.10083	3.7
147.08008	3.4
147.11607	12.5
149.09610	9.1
152.67725	1.8
157.10068	12.5
163.11166	3.3
165.12746	1.6
173.11699	11.6
175.11154	8.8
191.10884	1.6
193.12195	40.4
199.13216	2.9
211.13246	50.7
227.12625	2.3
229.14317	38.7
267.15894	23.5
283.15259	2.6
285.16904	38.5
315.18018	5.8
409.25809	2.2
421.25827	13.7
427.26785	8.2
439.26819	74.4
475.26538	8.4
493.27618	3.7
525.30634	6.3
543.31348	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	739.4259
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	4.7
54.81694	3.1
55.01863	12.1
55.05503	37.4
57.03422	16.1
61.08518	2.7
65.03929	3.8
66.66920	3.0
67.05485	49.3
69.03404	12.4
69.07051	20.1
71.04991	5.3
79.05476	52.0
81.03394	57.7
81.07034	100.0
83.04961	14.1
83.08604	27.4
85.02893	15.9
85.06523	2.9
87.58096	3.3
91.05469	49.2
93.07014	54.9
95.04929	27.8
95.08592	32.5
97.02858	14.0
97.06495	12.3
97.10141	4.9
105.07004	52.4
107.04944	12.5
107.08586	32.1
109.06523	22.5
109.10149	7.4
111.04434	4.2
111.08057	6.9
117.07012	20.4
117.07933	2.5
118.52529	2.7
119.08523	31.2
121.10109	17.1
123.08089	5.5
123.11646	3.3
125.09612	3.4
129.06961	7.0
131.08540	24.3
133.10083	23.7
135.89401	3.3
140.21217	3.0
142.72195	3.1
143.08571	4.9
145.10086	15.1
147.07994	3.7
147.11644	26.5
149.09612	4.9
149.13213	3.7
157.10126	12.9
158.10506	3.7
159.11688	4.4
163.11166	4.7
175.11212	12.1
193.12233	15.7
211.13254	5.6
248.96165	3.3
267.16043	6.2
275.19904	21.2
285.16818	6.3
349.23529	16.3
367.24664	12.1
429.21066	4.1
446.15726	3.2
493.97238	2.9
541.35107	14.7
559.36169	24.2
563.72662	3.4
577.36688	5.7
703.39978	6.7
721.40527	6.4
739.37311	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	739.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	1.2
53.03938	7.8
55.01660	0.8
55.01865	13.3
55.05504	63.6
57.03427	18.7
59.04967	1.8
65.03910	4.1
67.05489	53.1
69.03414	21.1
69.07050	22.0
71.04976	13.7
73.02893	1.7
77.46686	1.0
79.05469	59.6
80.05800	1.0
81.03397	100.0
81.07034	63.0
81.33691	1.1
82.07409	1.0
83.04963	40.1
83.08601	54.0
85.02414	1.4
85.02885	22.6
85.06506	4.3
91.05453	55.3
92.08649	3.4
93.07015	49.3
93.07471	1.1
95.01273	1.1
95.04940	97.3
95.08575	34.9
97.02869	17.7
97.06481	16.2
97.10134	20.6
99.04408	10.6
105.07008	49.0
107.04929	20.7
107.08568	40.3
109.02868	12.4
109.06499	14.3
109.10140	13.0
111.04417	20.3
111.08067	16.4
113.05947	1.5
115.05414	1.6
117.06990	13.2
119.08552	40.0
121.06495	14.2
121.10118	29.0
123.04382	1.6
123.08018	7.4
123.11752	3.4
125.06020	1.3
125.09602	12.6
127.03883	7.2
128.06180	2.0
129.05438	5.8
129.06975	17.6
131.08540	30.9
133.06465	7.5
133.10085	22.2
135.08078	7.6
135.11668	12.1
137.06009	1.1
137.09554	4.0
139.11220	1.8
141.06969	1.5
142.07756	4.9
143.08551	5.2
145.06479	2.5
145.10107	23.9
147.08051	9.5
147.11667	21.4
149.09608	34.9
149.13216	1.9
151.07515	2.1
151.11183	1.5
153.09048	1.8
153.12685	4.9
155.08534	4.1
157.10081	17.8
157.11220	1.6
159.11646	13.0
161.09584	4.4
161.13162	1.6
163.11142	36.5
165.12695	6.8
166.51639	1.0
169.10143	3.9
171.11646	4.7
173.09624	1.9
173.13121	1.9
175.11156	13.9
177.09230	1.0
177.12686	4.5
181.12190	3.9
183.11598	1.3
185.13213	1.8
187.11145	5.1
189.11176	7.4
189.12672	1.9
191.10632	2.3
193.12210	38.6
197.13257	2.4
201.12721	1.6
205.12219	5.2
211.13229	36.8
223.13258	25.3
227.12692	4.1
229.14297	1.4
239.17979	1.7
249.14861	1.2
257.18896	6.4
267.15833	23.5
269.17276	1.8
275.17053	1.5
275.19992	40.6
285.16879	10.1
293.21048	29.6
311.22043	1.2
331.22610	1.2
349.23590	16.0
355.17401	1.7
367.24689	40.1
411.19992	2.5
423.27286	1.8
424.27847	1.8
429.21078	29.4
475.26642	1.5
541.35254	14.3
559.36139	41.4
577.37213	48.7
685.39209	1.7
703.40253	8.1
721.41437	39.7
722.41583	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4907
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05101	0.1
56.05025	0.3
57.07065	0.2
58.06596	0.1
59.03362	0.1
60.08152	7.3
63.37594	0.1
71.07355	3.8
71.08627	0.1
75.49759	0.1
81.03387	0.3
82.17076	0.1
83.01646	0.1
85.10138	0.1
86.09686	42.0
91.04274	0.1
98.98442	3.3
104.10712	2.3
124.99975	30.0
143.01018	0.3
147.11618	0.2
184.07294	100.0
185.07620	0.5
243.45728	0.1
243.48033	0.1
257.87857	0.1
313.27325	0.2
364.17331	0.2
397.36359	0.2
688.45337	14.8
689.45160	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.5058
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97120	2.8
53.00272	2.7
53.82651	2.6
54.58534	2.6
55.05502	17.8
57.07072	4.4
67.05485	44.9
69.07050	7.9
73.81350	3.5
75.70327	2.9
79.05478	28.7
81.07027	37.3
82.03799	3.2
91.05474	17.7
93.07018	27.3
95.08582	38.9
107.08588	6.8
109.10138	3.6
119.95783	3.3
121.10130	7.8
123.04838	3.7
133.10127	5.1
135.11679	5.2
151.57449	3.5
306.27762	4.7
326.23550	4.4
364.73578	4.2
568.81030	3.9
597.48578	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	739.4236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48708	1.0
67.05494	2.1
68.67642	1.3
69.07082	1.6
79.05496	3.0
81.07056	5.6
91.05478	5.0
92.09371	1.6
93.07040	5.6
95.04937	1.8
95.08600	2.6
105.07027	3.0
107.08611	2.6
119.08593	1.7
121.06485	1.3
121.72757	1.3
133.10101	1.8
145.10130	1.9
152.06409	1.3
239.41327	1.2
251.12590	2.2
267.20840	1.3
301.89609	1.4
355.39743	1.4
443.40115	1.5
483.18427	2.1
497.32196	1.3
511.28635	1.7
739.42212	100.0
740.42621	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	738.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.1
55.01860	5.0
55.05503	18.0
57.03426	16.6
65.54832	0.8
67.05488	31.5
69.03419	8.7
69.07050	10.9
71.04978	9.3
79.05468	34.6
80.32881	0.8
81.03394	100.0
81.07030	37.3
83.04517	1.7
83.04962	23.9
83.08598	27.2
85.02887	29.0
85.06503	1.8
85.89397	0.8
89.65030	0.8
90.19051	0.9
91.05456	48.9
92.09382	1.6
93.07017	30.9
95.04940	42.6
95.08572	13.3
97.02857	8.4
97.06510	5.9
97.10129	6.1
99.04450	1.0
99.08094	1.6
105.07006	36.3
107.04931	12.0
107.08578	10.3
109.02872	3.4
109.06477	8.7
109.10128	5.7
111.04422	4.2
111.08060	12.8
113.05964	2.0
115.05408	3.7
117.06989	4.4
119.08555	27.5
121.06461	5.1
121.10110	12.6
123.08045	4.6
123.11670	1.2
125.09589	2.0
127.03864	1.3
129.06978	17.0
130.00368	0.9
131.08540	17.1
133.06439	4.2
133.10107	16.8
137.09598	2.0
142.07750	4.9
145.10056	3.4
147.08032	5.3
147.11655	20.2
149.09610	8.1
157.10100	20.6
163.11165	1.4
165.12689	4.1
175.11119	18.4
193.12196	45.2
211.13240	32.3
233.55391	0.8
236.27185	1.0
267.15848	40.7
273.14633	1.4
285.16919	23.3
361.05670	1.0
367.22705	1.9
385.23538	3.6
411.19931	1.6
429.20975	5.8
433.25641	1.9
441.26587	1.1
459.20935	1.9
459.27246	34.7
460.27545	1.4
477.28369	30.6
495.22672	1.6
495.29486	40.6
496.29794	1.5
621.32184	4.2
632.83356	0.9
639.33612	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	738.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	1.0
53.03929	7.8
53.51689	0.9
55.01863	14.5
55.05506	37.6
57.03430	23.2
57.07071	4.0
59.04975	1.0
61.02921	1.8
65.03934	5.3
66.55738	0.9
67.05490	91.9
69.03410	15.9
69.07054	25.2
71.01331	1.2
71.04974	13.5
73.02908	2.0
74.31670	1.0
74.61725	1.0
79.05476	66.8
81.03400	64.2
81.07038	100.0
83.01350	1.1
83.04962	22.1
83.08604	26.6
85.02895	11.7
85.06526	5.0
87.04455	4.4
91.05460	49.3
92.08581	2.1
93.06410	2.0
93.07018	61.5
95.04942	27.3
95.08576	29.1
97.02869	13.9
97.06509	14.8
97.10140	14.5
98.03665	6.4
99.04442	6.1
99.08089	1.7
103.05421	1.6
105.04477	1.3
105.07011	29.7
105.07664	1.8
107.04937	17.7
107.08572	36.5
109.02891	6.9
109.06511	7.4
109.10139	20.2
109.88879	1.1
110.07280	2.1
111.04429	7.7
111.08065	9.9
113.06012	2.0
117.07005	15.1
119.08558	17.6
121.06481	6.8
121.10124	21.9
123.04401	1.7
123.08042	5.2
123.11683	6.1
125.06041	1.1
125.09602	15.6
127.03881	8.6
129.05447	4.0
129.06969	8.6
131.08549	16.4
133.06499	1.3
133.10121	17.3
135.04431	1.7
135.08044	6.4
135.11656	13.6
137.09593	1.4
142.07784	1.9
143.08540	1.6
145.06488	1.3
145.10075	10.1
147.08011	4.1
147.11630	12.3
147.26607	1.2
148.92430	1.0
149.09578	2.0
149.13217	10.8
151.11116	1.0
153.05476	1.4
153.09071	1.6
153.12759	8.3
155.08488	0.9
157.10104	4.7
159.08060	1.3
159.11647	10.5
163.11130	11.4
165.12770	2.1
173.04390	8.9
173.09627	4.5
173.11792	1.9
175.11125	2.1
177.12764	2.1
181.12236	5.5
183.06581	1.1
189.11198	2.3
191.10649	5.9
193.12192	6.1
195.13734	11.0
199.06046	4.9
199.13243	1.9
209.11623	7.4
211.13254	5.0
224.14169	1.5
227.12753	10.5
229.14326	5.1
239.16330	1.8
265.14380	1.7
267.15759	8.2
269.17389	33.3
274.95764	1.0
283.15384	15.1
365.27185	2.2
383.28183	1.5
411.27484	1.7
423.27310	53.0
449.28973	4.5
459.27173	1.5
461.28860	1.5
477.28534	16.1
492.31210	1.6
495.29373	15.4
499.30673	1.1
621.32745	2.6
623.34039	1.7
639.33289	6.6
738.36285	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.4266
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	10.3
55.05268	1.9
55.05507	40.2
57.03146	1.1
57.03427	32.3
59.04987	21.2
61.02908	6.6
65.03909	2.2
67.05493	64.1
69.03410	7.0
69.07055	14.0
71.04978	10.2
79.05472	37.8
81.03400	100.0
81.06598	2.2
81.07042	47.1
83.01324	6.3
83.04966	24.5
83.08608	28.0
85.02892	17.2
85.06511	2.5
87.04454	20.8
87.15418	1.3
87.72425	1.2
91.05464	37.1
93.07019	37.9
95.04955	32.1
95.08585	17.0
97.02857	7.5
97.06519	9.3
97.10124	14.9
99.04435	10.7
105.07014	34.3
107.04929	16.5
107.08562	21.5
109.06483	8.9
109.10149	28.6
111.04436	4.9
111.08064	11.3
113.05952	1.9
115.05399	1.6
117.06991	11.2
119.08562	25.4
121.06481	7.8
121.10114	15.8
123.08022	9.7
123.11693	1.5
125.09618	11.0
129.05481	1.3
129.06967	16.2
130.22856	1.5
131.08543	19.0
133.06482	2.7
133.10100	9.0
135.08049	1.9
135.11658	8.0
137.05907	1.2
137.09590	2.9
142.07718	2.5
142.22534	1.3
143.08600	2.6
145.06456	5.4
145.10098	10.5
147.07993	8.9
147.11681	16.2
149.09575	8.9
153.09163	1.5
153.12714	2.1
155.08566	1.7
157.10086	17.0
161.09579	2.1
163.11166	15.8
165.12715	1.9
165.90041	1.4
173.09520	2.0
173.11702	6.1
175.11147	14.0
181.12190	1.7
191.10635	3.1
193.12204	30.7
199.13269	2.9
209.11688	2.0
211.13264	19.7
223.13179	1.9
225.12624	1.3
227.12827	4.9
229.14304	15.9
241.14207	1.9
255.14052	1.5
265.52185	1.3
267.15854	64.8
273.14767	2.7
283.15378	25.2
285.16824	13.4
301.16690	1.7
315.17896	2.8
349.21689	2.2
367.22690	5.0
385.23611	6.0
425.25189	6.7
433.25565	7.4
437.25262	30.7
441.26086	5.3
459.27319	48.4
477.28397	32.4
541.30231	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	738.3897
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.2
53.03941	5.6
55.01853	9.4
55.05503	25.2
57.03425	20.6
59.04974	1.8
61.02920	1.9
67.05486	28.0
69.03416	5.5
69.07044	6.6
71.01349	1.4
71.04970	1.7
72.38680	0.8
73.02886	1.0
79.05469	26.3
79.05901	1.4
81.03395	100.0
81.07030	33.0
83.01328	1.7
83.04965	10.3
83.08596	33.3
85.02888	5.9
85.06531	4.1
91.03970	0.9
91.05458	43.2
92.05782	1.0
93.07015	28.9
95.04942	30.6
95.05511	1.5
95.08572	11.1
97.02861	7.6
97.06502	5.8
97.10133	7.4
99.00798	19.7
99.04456	1.6
99.08107	1.0
103.05476	3.4
105.07004	29.4
107.04933	19.5
107.08575	16.0
109.02847	14.9
109.06483	10.3
109.10139	8.8
111.04394	6.1
111.08065	12.8
113.05977	1.0
115.03930	3.6
117.06982	8.4
119.08546	26.4
121.06487	14.6
121.10107	10.1
123.04423	3.9
123.08027	5.1
123.11690	1.9
125.09571	7.1
127.03892	4.1
128.06181	2.0
129.06963	12.3
130.06717	0.9
131.08525	13.7
133.06447	5.9
133.10094	46.7
135.08052	3.6
135.11673	5.5
137.05945	1.7
137.09592	3.7
139.07529	1.7
142.07744	3.2
143.08508	7.7
145.06525	1.8
145.10104	8.4
147.08022	5.8
147.11652	10.2
149.09596	5.6
151.11133	13.4
153.09119	1.1
155.08562	1.4
157.10097	13.2
158.78152	0.9
161.09578	26.5
161.10852	1.4
163.11142	7.0
165.12802	1.6
171.07959	7.4
173.09589	1.2
175.11168	9.4
176.06253	0.9
179.10657	9.7
189.09082	15.8
189.11034	3.4
193.10432	1.7
193.12178	24.8
193.13914	1.1
197.11713	3.9
207.10126	3.3
209.11696	5.0
211.13251	5.5
219.13719	9.2
225.11084	12.1
227.12804	3.8
249.14819	1.1
267.15833	81.5
268.16290	1.6
281.13788	3.9
283.15411	6.4
285.16971	3.4
299.14822	57.2
299.18271	2.1
371.22540	1.0
381.20264	1.2
389.23071	1.1
412.74103	0.9
445.25848	7.2
459.27164	6.3
463.26685	6.5
468.16681	0.9
473.25284	25.5
477.28192	4.9
491.26279	96.3
492.26639	1.6
509.27338	8.3
653.31024	1.3
704.79395	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	738.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.9
55.01863	16.8
55.05504	56.6
57.03428	44.1
57.07067	1.4
59.04990	48.9
59.46364	1.0
61.02925	8.6
65.03928	2.4
67.05492	100.0
69.03416	10.0
69.07054	15.2
71.01357	1.1
71.04976	19.0
73.02888	1.8
79.05476	49.0
80.05785	1.6
81.03398	87.1
81.07038	60.3
82.07345	1.2
83.01339	11.8
83.04963	29.9
83.08601	38.5
85.02888	26.3
85.06524	8.2
86.97781	1.1
87.04453	61.9
91.03943	1.4
91.05461	53.3
93.07023	48.5
95.04944	36.4
95.08581	20.4
97.02869	7.1
97.06522	12.2
97.10128	13.4
97.85964	1.1
99.04436	17.5
99.08110	1.9
105.07002	30.8
107.04945	22.3
107.08573	31.0
109.02845	2.0
109.06493	15.8
109.10141	60.5
111.04396	8.5
111.08085	9.8
115.03939	1.3
115.05439	2.8
117.06998	11.9
119.08559	30.5
121.06477	13.5
121.10130	16.5
123.04375	2.1
123.08023	13.4
125.09608	11.8
127.03850	1.5
128.06216	1.4
129.06970	12.8
130.07797	2.1
131.04929	1.9
131.08539	20.6
133.06462	5.1
133.10109	12.9
135.08043	6.2
135.11659	13.6
137.05934	2.0
137.09601	5.4
142.07727	4.5
143.08565	2.5
145.06474	5.9
145.10088	20.6
147.08055	6.8
147.11650	15.0
149.09595	7.5
151.07516	4.7
153.12730	2.8
155.08559	2.5
155.10677	1.6
157.10056	12.0
159.08081	1.4
163.11159	26.7
164.61891	1.2
167.08583	1.5
173.11757	12.7
175.11166	12.9
181.12202	4.6
181.96304	1.3
184.07266	1.5
191.10666	1.6
193.12198	23.9
199.13303	6.8
209.11717	6.7
211.13214	12.1
223.13181	1.4
227.12828	7.0
229.12071	1.5
229.14291	45.6
241.14246	1.9
241.55402	1.4
263.37979	1.2
267.13000	1.9
267.15866	48.2
268.16083	1.4
283.15338	60.5
285.16916	8.0
315.17926	1.8
337.97037	1.4
349.21472	1.6
367.22574	2.4
385.23654	6.1
407.23947	1.7
425.25128	8.4
433.25781	5.9
437.25250	96.2
438.25549	2.9
441.26141	4.6
459.27350	35.7
461.28934	1.5
468.00183	1.2
477.28314	23.2
534.34772	1.3
543.36713	2.1
706.53741	1.4
768.79425	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.4455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	15.5
55.05495	72.1
57.03410	24.8
61.02934	9.8
67.05493	91.1
69.03419	11.4
69.07049	35.0
71.04959	9.9
76.07108	5.8
77.97709	5.6
79.05474	78.8
81.03394	57.4
81.07042	100.0
83.04963	16.0
83.08594	13.5
85.02884	11.1
91.03962	8.5
91.05460	85.0
93.07026	74.0
95.04939	31.1
95.08588	50.3
97.02896	7.9
97.06493	7.5
97.10146	16.5
99.04420	9.1
105.07029	75.2
105.22478	6.4
107.04911	8.4
107.08541	57.4
109.06480	15.6
109.10153	14.2
111.08126	7.8
111.54519	6.2
117.06989	31.8
119.08559	56.1
121.06450	12.0
121.10146	28.7
123.08044	11.9
125.09582	14.7
128.06071	6.3
129.06987	37.5
131.08531	48.7
131.19296	5.8
133.10136	48.3
135.08025	7.9
136.73958	6.5
142.07829	7.0
143.08546	28.6
145.10121	42.8
147.11682	12.2
149.09628	8.0
155.08478	11.2
157.10121	37.2
159.11655	23.7
162.40981	7.1
169.10081	10.3
171.11708	10.7
173.09576	9.2
183.11652	14.3
185.13289	10.6
190.81386	6.4
193.12021	7.2
226.68141	8.5
264.73160	6.4
273.18253	9.6
291.19427	9.7
299.23911	6.9
352.04785	7.5
517.35052	8.2
525.35559	52.8
543.36548	70.1
557.38239	11.3
575.39288	11.1
685.04504	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	737.4093
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66871	1.3
53.03927	7.6
53.74011	1.5
55.01862	7.2
55.05505	24.7
57.03418	7.1
57.46182	1.6
67.05494	30.3
69.03410	7.7
69.07039	7.4
71.04956	3.3
71.20296	1.5
74.35295	1.6
76.55813	1.8
79.05476	45.8
79.51971	1.5
81.03405	36.4
81.07037	100.0
83.04980	14.3
83.08592	15.7
83.51492	1.5
85.02870	9.5
91.05462	33.1
93.07022	25.8
95.04950	25.3
95.08584	15.4
97.02883	6.3
97.06506	4.0
97.10126	4.0
99.04435	2.6
105.04501	2.0
105.07008	31.8
107.04919	15.6
107.08568	15.6
107.52544	1.6
108.40005	1.8
109.02853	3.5
109.06499	45.6
109.10139	9.4
111.04404	9.8
111.08047	3.5
115.05399	2.8
117.06995	11.3
119.08550	27.6
121.06483	7.8
121.10122	9.6
125.09613	3.7
129.06964	8.9
131.08549	15.6
133.06450	3.8
133.10089	8.4
135.08023	2.1
135.11618	2.0
137.05904	1.6
137.34044	1.8
142.07756	1.7
143.08484	3.5
145.06430	2.2
145.10094	11.5
147.08031	11.7
147.11639	7.4
149.09579	8.3
157.10066	11.2
159.07962	2.6
159.11696	3.5
161.09616	4.0
163.11133	4.0
173.04427	1.9
175.11124	2.9
181.12170	2.8
183.11610	2.1
189.11073	2.3
193.12260	10.0
211.13232	6.8
249.14825	2.9
267.15817	11.7
273.18384	15.1
285.16843	6.4
291.19519	40.3
347.22003	7.9
365.23019	12.8
390.28174	2.3
411.20868	1.8
429.21063	8.4
539.33044	7.0
557.34601	24.1
575.35669	8.6
701.38647	3.4
716.56873	1.9
719.39429	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	736.4908
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92660	2.7
52.67456	3.4
53.27763	3.2
55.05515	7.6
67.05491	35.4
67.85766	3.9
69.07028	4.3
70.75874	4.2
79.05470	39.8
81.07045	29.5
89.05336	3.8
91.05460	19.7
93.07030	39.8
95.08590	26.3
105.06982	8.6
107.08575	20.1
109.10171	5.0
119.08552	7.4
121.10146	6.0
122.17337	4.0
131.08530	6.7
133.10098	5.4
137.09694	3.7
145.10101	4.0
159.08038	3.5
162.20988	4.0
382.31491	4.1
390.78510	4.2
595.47168	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.5327
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38734	0.4
54.03071	0.4
62.65841	0.4
71.43327	0.5
74.09699	24.7
82.20253	0.4
84.62450	0.5
138.30267	0.5
142.96635	0.5
148.40355	0.5
320.25635	1.1
421.42068	0.6
424.99249	0.5
482.30893	3.9
590.02069	0.6
629.97345	0.5
736.53217	100.0
737.53436	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	737.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.6
55.01865	0.9
55.05504	1.4
57.03425	12.1
57.76828	0.6
61.29984	0.6
63.83087	0.6
64.33819	0.6
68.99778	4.0
69.03403	2.8
71.04973	76.2
73.02895	1.0
75.04451	1.1
81.03377	1.5
83.04940	2.4
85.02886	75.9
87.04453	0.9
95.04939	1.0
96.42040	0.7
107.04945	1.4
109.02852	1.6
111.00797	2.9
111.04415	6.6
121.02865	0.9
123.03496	1.3
123.04389	22.3
127.03888	13.9
129.05469	7.8
135.04401	18.2
137.02312	17.9
137.05937	0.8
139.03880	8.4
147.04395	1.2
149.02310	3.1
149.05933	1.3
151.03876	5.4
153.01808	3.3
154.08597	1.1
155.04892	1.7
159.04356	1.0
163.03854	23.2
165.01782	1.7
169.06462	0.7
173.05943	1.2
175.03886	1.3
177.05444	2.8
183.04388	1.4
187.03882	3.0
191.06845	1.0
195.02844	1.2
197.05937	1.3
199.03824	0.8
201.05402	7.4
203.03377	1.6
203.07109	0.6
205.04935	1.1
215.03363	9.7
215.06953	0.8
217.04843	1.0
219.06499	2.5
227.03308	8.8
229.01320	1.0
229.04892	12.9
240.33643	0.7
243.02846	0.9
243.06570	0.9
245.04285	5.2
247.05952	23.8
257.04395	8.6
259.05954	1.0
271.02307	17.3
271.05884	6.4
274.04572	1.1
283.02197	1.2
283.05844	0.8
285.03870	57.2
289.03397	39.9
289.06876	5.3
295.06183	0.9
297.03772	1.6
299.05331	2.8
301.03439	1.3
302.04037	2.6
303.04919	50.2
311.05353	1.3
313.03525	1.9
313.07101	2.4
315.04865	13.9
316.05542	1.5
327.04852	1.1
329.06372	1.4
339.04840	1.0
345.02179	1.0
345.06000	25.0
353.06656	1.4
355.04449	3.1
357.09500	3.0
358.59692	0.8
375.10559	2.7
417.12775	0.8
421.05411	4.3
423.06964	7.7
433.05688	0.7
437.08838	1.6
439.06708	6.1
451.06570	4.5
463.06192	3.1
521.91522	0.7
538.05597	0.9
549.10388	0.9
567.10992	1.6
573.09882	1.3
581.86572	1.0
591.11224	100.0
592.11975	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	736.2443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
55.01873	0.3
57.03429	0.3
57.78113	0.1
61.02922	0.2
65.03918	0.3
67.01852	6.0
69.03416	3.3
71.04976	2.1
79.05513	0.2
81.03396	16.3
81.07024	0.2
85.02892	1.9
91.05457	6.0
92.08742	0.4
92.64426	0.2
97.02866	100.0
99.04429	8.7
107.04913	0.4
107.23430	0.2
109.02858	65.6
119.04910	19.0
119.05804	0.3
123.04453	0.3
127.03886	89.8
128.04263	0.2
137.05992	0.3
139.02794	0.3
139.03873	10.0
147.04382	86.6
148.04733	0.5
163.03680	0.2
167.07022	0.7
169.04919	27.9
181.04927	1.0
187.05933	0.3
191.07031	0.3
196.28029	0.2
211.05952	2.9
229.06987	2.1
247.08067	15.8
291.08621	0.2
342.64371	0.2
437.12088	1.9
455.13235	10.0
679.18524	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	736.411
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	8.6
54.90564	1.6
55.01876	15.4
55.05505	29.4
57.03431	23.4
59.04982	2.3
61.02914	2.2
67.05499	41.9
69.03422	17.0
69.07054	14.1
71.04987	11.4
71.05314	1.4
73.15737	1.4
79.05481	56.9
81.03402	100.0
81.03873	3.5
81.07040	53.0
83.01325	3.2
83.04971	39.9
83.08614	30.3
85.02892	32.8
85.06517	2.8
85.99460	1.4
91.05462	61.7
91.05994	2.5
93.07027	58.4
95.04948	30.9
95.08595	21.0
97.02875	18.9
97.06511	9.1
97.10166	7.8
99.04433	6.9
105.07030	44.1
107.04950	34.1
107.08589	24.7
109.02856	7.0
109.06489	11.2
109.10155	8.8
111.04423	14.8
111.08064	13.8
113.05976	1.7
113.26092	1.6
115.05455	1.6
117.07016	10.0
119.08570	35.3
121.06487	3.4
121.10125	18.3
123.04406	2.4
123.08015	11.4
125.09666	2.3
127.03894	10.5
129.06978	17.7
131.08537	17.9
133.06485	2.6
133.10109	17.4
135.11662	19.4
137.09590	3.3
142.07790	2.1
143.08533	1.9
145.06520	2.7
145.10110	22.8
147.08069	8.4
147.11678	19.1
149.09647	7.9
149.13429	1.9
153.12723	19.6
155.08615	3.1
157.10075	14.4
163.11165	31.1
165.12671	1.9
173.09657	8.4
175.11176	14.0
181.12273	10.5
191.10684	7.5
193.10503	2.4
193.12221	33.5
209.11751	3.7
211.13266	34.3
216.60760	1.8
217.12990	1.8
227.12657	11.6
252.35628	1.6
260.05264	1.9
265.14316	6.6
267.15851	28.7
283.15454	13.8
285.16922	33.6
383.21844	1.8
407.24487	1.6
416.15753	1.7
427.19556	25.6
457.25912	11.6
475.26764	29.9
489.39148	1.8
493.27896	50.1
619.31085	14.6
637.22321	2.6
637.32166	67.3
638.32123	2.0
655.32446	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	734.4957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.6
55.96241	0.4
57.03423	0.7
57.07061	2.5
58.06599	0.5
60.08150	6.9
66.17217	0.4
67.05478	1.0
69.07049	0.7
71.07351	3.7
71.08585	1.5
74.37450	0.4
79.05453	0.8
81.03001	0.4
81.03396	4.0
81.07036	2.4
83.08598	2.7
85.02882	1.9
85.10154	0.8
86.09692	42.8
91.05460	1.7
93.06998	0.9
95.04934	1.7
95.08580	2.1
98.98438	3.5
104.10729	2.9
105.06995	2.3
109.10153	0.5
119.08498	0.9
124.99979	30.0
131.08524	0.6
133.10143	0.6
142.63815	0.4
143.01048	0.5
147.11670	0.7
150.63359	0.4
169.03313	0.4
175.11104	0.6
184.07306	100.0
187.83243	0.5
193.12257	3.2
211.13272	2.2
248.81963	0.4
282.76602	0.6
284.94669	0.5
285.16855	2.6
313.27234	3.5
408.83954	0.4
522.38855	0.5
523.39697	7.1
641.70966	0.5
733.52789	0.8
734.49414	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	732.4798
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74435	0.3
60.08152	8.6
67.05480	0.6
69.07029	0.7
71.07349	5.2
79.05462	1.4
81.07037	1.3
86.09685	46.7
86.48362	0.3
89.05988	0.5
91.05486	0.7
92.63690	0.4
93.06999	0.7
95.08588	0.5
97.06470	0.4
98.98443	4.3
104.10711	3.1
105.07015	0.8
111.92870	0.4
119.08614	0.6
124.99973	33.7
134.23753	0.4
184.07292	100.0
185.07533	0.5
317.47531	0.4
410.35089	0.4
731.51434	0.4
732.47565	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	733.4128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02066	0.5
53.03938	1.4
54.81501	0.6
55.05489	1.3
57.03422	3.0
58.90817	0.7
61.02910	5.0
67.05482	5.1
69.03412	2.9
69.07045	3.3
73.02894	4.0
79.05476	6.6
81.03395	1.6
81.07037	4.8
83.04949	0.9
85.02888	7.4
91.03938	3.2
91.05438	5.4
92.63731	0.7
93.07018	9.0
95.04942	1.4
95.08582	1.7
97.02885	3.8
99.04440	1.3
101.02357	1.1
105.07021	4.5
107.08562	5.2
109.02904	1.3
109.10130	0.9
117.07005	1.1
119.08556	3.6
121.10122	1.4
125.09766	0.7
127.03873	0.9
131.08582	1.1
133.10117	2.9
135.11699	3.5
145.10091	0.8
147.11655	1.2
185.04327	0.9
217.37480	0.7
221.11496	1.4
243.08321	1.6
257.19968	0.8
317.21121	0.8
439.19275	8.0
461.49350	0.8
511.21707	1.2
535.28729	7.8
561.90039	0.7
693.73230	0.7
733.41156	100.0
734.41168	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	734.4677
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08466	1.2
51.65452	1.1
52.38737	1.2
53.03929	2.0
53.95914	1.2
55.01851	1.8
55.05503	21.2
57.03167	1.9
57.03425	24.3
57.07065	43.5
67.05483	27.0
69.03419	2.2
69.07046	16.1
71.04964	6.4
71.08611	31.3
73.02888	1.5
79.05471	18.5
81.03393	59.5
81.07037	41.1
82.65893	1.4
83.04958	17.8
83.08594	29.8
85.02879	30.7
85.10152	18.2
91.05455	34.6
92.09010	13.7
93.07022	18.8
95.01305	3.4
95.04948	21.2
95.08578	25.4
97.02853	2.3
97.06463	2.2
97.10140	10.7
102.56294	1.6
105.06995	24.4
107.04942	7.5
107.08575	7.5
109.06487	3.5
109.10126	12.2
111.08063	8.2
119.08560	20.6
121.10077	12.8
122.37985	1.6
123.08009	1.7
123.11669	6.2
128.48676	1.8
129.06966	11.7
131.08542	11.1
133.10120	11.4
135.11624	1.7
136.09595	1.5
141.01797	3.3
142.07742	2.8
147.07990	3.1
147.11678	15.1
149.09547	5.7
155.06694	1.5
157.10089	13.7
165.12677	2.6
175.11156	16.2
184.07338	1.8
193.12183	36.8
211.13240	46.5
267.15732	17.0
285.16904	50.3
304.26270	3.6
313.27301	72.1
336.54999	1.6
413.04282	1.9
505.38675	16.3
523.39789	100.0
524.40314	2.0
637.44836	1.6
655.12939	1.5
733.53564	3.7
734.53766	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	732.4529
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	16.5
56.70196	2.0
57.03428	18.7
57.07068	36.3
57.33382	1.7
67.05490	28.2
69.03413	3.0
69.07052	18.6
71.04989	2.1
71.08611	27.3
71.69734	1.7
73.65194	1.8
79.05477	30.9
81.03400	2.1
81.07040	38.3
83.04950	2.9
83.08613	17.1
85.02892	8.5
85.10161	17.9
91.05459	9.8
92.09279	4.1
93.07021	49.9
95.04934	8.6
95.08581	60.4
97.02867	3.8
97.06488	2.6
97.10150	4.1
99.04437	3.3
103.07609	2.2
105.07018	12.9
107.04922	11.8
107.08580	31.2
109.10152	13.4
115.49491	2.0
117.07024	6.4
119.08559	11.1
121.06477	3.6
121.10117	19.4
133.10107	3.7
135.11671	55.8
137.13199	2.1
145.10097	31.1
152.04564	2.0
163.11156	74.7
173.71515	1.8
181.12164	14.0
184.07179	2.1
188.52441	2.0
227.12724	71.0
239.23857	2.0
283.15347	79.7
313.27298	96.3
335.28897	2.0
487.91898	2.3
521.38318	100.0
731.42273	4.7
732.41119	14.1
732.52356	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	732.4799
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81741	0.3
55.05496	0.3
56.05016	0.6
59.06118	0.4
60.08152	8.4
67.05489	1.8
69.07050	0.6
71.07362	3.6
79.05470	0.6
81.07037	0.9
86.09687	46.2
89.06001	0.4
91.05425	0.5
92.09286	0.6
93.07005	1.7
95.04970	0.6
95.08586	0.8
97.94430	0.3
98.98466	3.8
103.43633	0.4
104.10714	3.2
105.07017	0.8
107.08585	0.5
107.28777	0.4
119.08609	0.6
123.11610	0.4
124.99979	32.3
131.08554	0.5
134.20969	0.4
145.10062	0.7
184.07301	100.0
316.59576	0.4
323.66367	0.4
382.66635	0.4
731.50714	0.5
732.35828	0.7
732.47821	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	731.3459
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	1.9
57.03426	4.0
58.27129	2.0
58.82403	2.0
59.37726	1.9
61.02911	9.7
67.05491	13.5
69.03412	4.3
73.02894	5.3
79.05492	3.5
79.50052	3.1
81.03403	5.2
81.07027	3.4
82.45957	2.4
85.02885	11.2
91.03987	2.9
91.05456	9.4
93.07030	4.8
95.04959	3.7
97.02887	10.4
101.02367	3.6
109.10134	9.6
125.09610	2.4
211.13414	2.8
213.71646	2.4
223.99318	2.6
243.08415	3.8
269.13412	3.4
301.08939	5.6
373.10959	4.0
409.09216	2.8
413.17758	19.4
469.20187	20.6
487.21750	4.2
641.31396	100.0
667.33020	16.8
731.34290	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	731.3968
Annotation	Unknow
Peak:m/z	Relative Intensity
55.19241	1.3
57.03410	2.4
60.08143	9.3
60.95286	1.5
61.02896	3.7
67.05483	10.2
69.03404	2.0
69.07050	2.7
71.07353	2.3
73.02892	2.7
79.05470	5.9
81.03393	2.4
81.07027	5.9
85.02863	2.5
86.09692	43.1
87.10020	10.3
91.03906	1.7
91.05458	2.8
93.07024	6.7
95.08550	1.7
98.98443	1.8
100.38317	1.7
105.06976	2.3
107.08604	2.5
109.10140	1.7
118.53115	1.6
119.08587	1.7
124.99973	30.1
126.00318	2.3
127.00416	2.1
131.08560	3.0
133.10078	1.8
135.11685	2.4
145.10068	2.4
184.07309	80.9
185.07655	24.8
186.07759	17.7
243.08331	2.4
311.60846	1.8
315.19406	3.5
439.19162	11.3
533.26953	7.0
674.79144	1.7
730.44812	3.2
731.39508	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.4
53.03947	0.3
55.01874	0.9
55.30802	0.2
65.03921	0.4
67.01866	0.3
67.05499	1.4
68.99764	4.5
77.03918	0.9
79.01844	0.4
79.05478	0.4
81.03388	1.9
82.01833	0.2
85.02880	0.4
89.03883	0.5
93.03397	0.5
95.04932	1.7
99.04448	1.0
103.05476	0.4
104.13489	0.2
104.60008	0.2
105.03395	1.9
107.04945	2.5
109.02865	2.5
111.00802	3.7
111.04433	3.4
117.03361	0.8
117.07011	0.2
119.04895	1.0
121.02843	1.0
123.04405	100.0
125.02308	0.5
127.03889	52.6
128.06184	0.2
131.04881	1.9
133.06419	0.4
135.04393	27.9
137.02348	2.4
137.05978	0.3
139.03879	15.8
141.06979	0.9
143.03375	1.8
143.04872	1.1
144.38936	0.2
145.06410	1.1
147.04378	6.3
149.02316	2.7
149.05980	1.2
151.03880	7.0
151.07463	0.2
153.01804	11.4
153.02876	0.6
155.04919	0.9
157.06471	0.4
159.04381	2.5
161.02333	0.2
161.05934	2.7
163.03870	22.3
164.71106	0.2
165.05426	1.2
167.03397	2.0
167.04657	0.3
169.06456	0.9
173.02318	1.9
173.05968	2.0
175.03926	1.7
175.07523	0.3
177.05399	2.1
179.03349	3.3
181.06453	0.2
181.75928	0.2
183.04350	0.8
184.35559	0.2
185.05861	1.0
187.03838	4.4
187.07433	0.4
189.05493	2.3
191.03311	2.5
193.04935	2.1
193.06477	0.3
197.05983	3.4
199.03990	0.2
201.05440	7.0
203.03365	5.6
203.06978	1.4
205.04910	1.5
211.07521	0.3
213.05423	1.6
215.03313	1.2
215.07021	2.0
217.04866	1.1
223.02266	0.4
225.05394	1.5
227.03319	1.3
229.04877	4.2
231.06491	1.3
233.04474	1.0
241.04854	1.3
243.06441	3.9
245.04387	3.9
247.02222	0.5
247.05954	10.2
249.05522	0.3
253.04834	1.5
255.06393	1.3
257.04401	5.6
257.07635	0.4
258.05304	0.4
259.05939	1.7
265.04669	0.3
267.06372	0.4
269.04388	4.9
271.05927	11.0
273.07523	2.0
275.05359	2.5
283.06024	1.8
285.07367	0.9
287.02490	0.3
287.05475	9.1
289.07007	8.4
291.08493	1.0
295.05920	1.4
299.05447	6.5
301.07016	1.9
311.05295	2.0
313.06955	2.8
391.07846	1.0
393.09366	1.0
408.39215	0.3
409.09167	6.1
410.42807	0.3
411.10626	0.3
421.08963	4.4
435.10422	1.0
439.10144	2.7
443.09476	0.4
543.12146	0.3
563.11652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1599
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
53.03926	0.7
55.01863	2.6
62.82362	0.5
65.03919	0.9
67.05497	0.6
68.99766	7.6
74.84828	0.5
76.36277	0.6
79.05444	0.9
81.03380	3.4
85.02911	0.5
89.03877	0.6
90.06766	0.5
91.05475	0.9
95.04932	2.2
97.02857	0.5
103.05437	1.1
105.03409	0.9
107.04922	3.6
109.02866	5.1
111.00774	4.2
111.04436	3.4
114.93848	0.6
117.03364	1.0
119.04876	0.8
121.02848	2.0
123.04399	92.4
125.02315	0.6
127.03883	100.0
129.07024	0.5
131.04893	3.3
135.04385	43.1
137.02309	4.0
139.03877	47.7
141.06955	1.0
143.03383	0.7
143.04866	1.0
145.06444	0.6
147.04390	9.6
149.02296	5.8
149.05933	2.2
151.03883	14.6
153.01804	14.4
153.03004	0.9
157.06558	0.6
159.04379	4.3
161.02359	0.5
161.05933	3.8
163.03856	38.7
165.05405	4.4
167.03339	9.5
169.06450	3.5
173.05867	4.3
175.03868	7.9
177.05397	4.8
179.03371	4.5
181.06372	0.8
183.04378	2.1
185.05981	2.4
187.03766	6.7
187.07526	0.7
189.05440	5.8
191.03339	15.8
193.04922	6.5
197.05917	4.5
201.05438	10.9
203.03346	16.0
203.05144	0.9
203.07021	2.2
205.04897	4.3
209.06032	0.5
213.05457	2.3
215.03397	1.2
215.07024	3.5
217.04886	3.0
220.81895	0.6
225.05322	0.6
227.03249	0.6
229.04916	10.0
231.06442	2.4
233.04472	7.2
237.05492	0.6
241.04927	2.2
243.06380	4.4
245.04395	9.5
247.05963	16.9
251.05484	1.0
253.04843	0.8
255.06493	2.9
257.04388	13.7
259.05920	7.8
261.07462	0.7
265.05005	0.8
269.04434	6.0
271.05930	16.8
273.07516	3.8
275.05411	8.4
282.34818	0.6
283.05969	6.5
285.07428	0.7
287.05420	21.0
289.07013	10.4
291.08569	1.2
295.96338	0.6
297.07581	0.8
299.05597	3.6
301.06967	9.2
325.07202	0.8
391.08011	1.1
393.09448	2.1
409.09100	19.4
421.09100	1.2
427.10031	3.7
435.11118	0.6
443.09503	0.8
563.11304	1.0
566.68988	0.6
579.10492	1.1
593.87671	0.6
663.58008	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	731.1602
Annotation	ent-Epicatechin-(4alpha->8)-ent-epicatechin-3-O-gallate
Peak:m/z	Relative Intensity
51.02357	0.5
51.83132	0.1
52.60858	0.1
55.01847	1.1
67.01788	0.2
68.99769	3.0
69.03396	0.3
79.01826	3.3
85.02878	0.3
88.34908	0.2
89.90115	0.2
91.05452	0.5
92.08657	0.6
95.04939	0.9
97.02871	0.9
103.05521	0.2
107.01289	0.8
107.04961	0.3
109.58048	0.2
111.00774	1.1
111.04424	0.5
119.04894	1.0
122.28747	0.3
123.00787	0.2
123.04398	19.4
125.02331	3.0
127.03888	4.0
129.06979	0.3
129.08972	0.2
130.06885	0.2
131.04919	1.3
135.04398	2.3
137.02347	1.4
137.05917	0.4
139.02785	0.4
139.03870	11.4
139.05447	0.3
141.01807	0.4
141.07002	0.3
143.03369	7.1
143.04921	0.6
145.02782	0.3
145.06444	0.8
147.04379	3.5
149.02290	0.2
149.06013	0.5
151.02875	0.3
151.03879	11.1
153.01801	100.0
153.02821	4.0
154.02116	0.8
154.08557	0.3
155.04880	1.2
157.06435	0.7
159.04314	1.3
161.05933	2.3
163.03864	9.2
165.05453	1.4
165.06699	0.2
167.03378	0.4
169.06453	1.4
171.04404	0.3
173.05968	2.5
175.03882	2.1
177.05411	1.4
179.03377	4.3
179.07022	0.5
180.05713	0.2
181.06473	1.0
183.04364	1.0
185.05939	1.5
187.03848	4.3
189.05421	1.1
191.03360	1.8
193.04918	1.9
193.06543	0.2
197.05997	2.4
199.03751	0.2
201.05391	2.7
203.03334	2.5
203.07002	0.9
205.04985	0.4
207.04839	0.2
207.06505	2.1
209.05914	0.4
211.03868	0.3
213.05424	2.3
215.03377	0.8
215.07037	1.1
217.04857	2.5
225.05376	1.5
227.07030	0.3
229.04895	3.9
231.06491	0.4
237.05457	0.9
241.04912	2.8
243.06456	1.4
245.04343	2.3
247.05959	4.9
253.04871	1.0
255.06459	2.3
257.04355	1.2
259.05942	16.3
265.04953	1.0
269.04315	0.3
271.05933	33.4
272.06186	0.3
275.05508	0.8
283.05942	7.8
285.07397	0.3
287.05420	6.6
287.60867	0.2
289.07071	1.1
291.08545	2.2
295.06015	0.2
299.05539	1.6
301.06934	0.4
303.04895	1.0
315.04892	0.7
331.04581	1.4
409.09094	7.5
411.10629	10.8
435.10596	0.8
575.45532	0.2
579.11639	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.5669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	6.1
54.82056	5.6
55.05499	13.1
57.07064	55.9
67.05489	6.9
69.07031	6.6
71.08592	35.9
76.56194	5.6
79.05479	7.1
81.07019	26.6
83.08604	9.2
85.10166	23.3
87.04432	8.1
89.05608	5.9
89.06023	100.0
91.05465	8.2
93.07023	10.1
95.08575	13.2
96.25562	6.3
105.06996	12.4
109.10117	5.8
119.08548	8.0
127.21562	6.3
128.91275	5.4
133.08595	41.9
177.11182	12.7
270.33105	6.7
274.28598	7.4
296.88110	6.7
386.81635	7.1
604.48700	6.4
663.71417	8.6
713.54205	9.2
730.53479	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	731.1599
Annotation	Procyanidin B5 3'-O-gallate
Peak:m/z	Relative Intensity
51.02358	0.4
51.41552	0.3
53.03950	0.6
55.01850	0.6
56.34495	0.4
57.47039	0.4
61.73033	0.4
65.03921	0.8
67.05507	0.5
68.99773	4.1
69.03403	0.6
77.03916	0.7
79.01839	0.5
81.03398	0.9
84.07013	0.4
85.02890	0.6
88.53127	0.4
89.48541	0.4
91.05447	0.8
92.09315	1.0
93.03367	1.0
95.04958	2.2
97.02837	0.6
105.03402	1.8
107.04926	3.7
108.27759	0.4
109.02888	2.4
111.00775	3.5
111.04419	3.1
119.04871	1.0
121.02852	0.8
123.04403	100.0
127.03886	51.5
131.04907	2.1
135.00725	0.6
135.04393	27.4
137.02283	2.2
137.05966	1.9
139.03871	17.2
141.06972	0.5
143.03336	1.1
143.04916	0.4
145.06454	0.5
147.04370	5.0
149.02312	2.9
149.05989	0.7
151.03886	8.1
153.01810	11.6
153.02957	0.9
155.04950	0.7
159.04391	2.9
161.05937	2.1
163.03865	23.0
165.05420	0.6
167.03389	2.7
169.06474	0.9
171.04147	0.5
173.02322	0.8
173.05963	2.3
175.03880	2.1
177.05424	3.1
179.03378	3.4
181.06392	0.7
183.04314	0.6
187.03819	5.4
189.05463	2.2
191.03413	1.9
193.04930	1.9
197.05969	2.3
199.03932	0.5
201.05394	7.0
203.03397	6.3
203.07030	1.1
203.09062	0.4
205.05013	1.7
205.11707	0.5
208.22333	0.5
213.05522	2.3
215.03380	0.9
215.07106	2.0
217.04810	0.5
225.05511	0.7
227.03387	1.7
229.04915	2.8
231.06601	0.5
233.04451	0.5
241.05054	0.8
243.06456	3.2
245.04509	4.4
247.05928	10.4
253.04840	1.1
255.06348	0.9
257.04379	5.2
259.05951	1.8
269.04361	5.3
271.05927	10.7
273.07605	1.1
275.05487	2.1
283.03055	0.5
283.05994	2.1
285.07465	1.0
287.05469	9.3
289.07053	8.7
295.06000	2.7
299.05396	7.5
301.06924	0.7
311.05527	1.9
313.07120	3.4
391.08173	0.7
393.09741	0.5
404.91562	0.5
409.09039	4.8
421.09122	4.5
439.09933	2.7
646.66309	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.465
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05014	0.5
58.06593	0.2
59.07337	0.1
60.08151	8.9
61.42358	0.1
67.05495	0.7
69.07072	0.1
70.06573	0.1
71.07358	4.3
79.05476	0.2
81.07022	0.5
86.09689	44.9
87.10030	0.2
91.05473	0.2
93.06983	0.2
95.04964	0.1
95.08569	0.5
98.98445	4.2
104.10725	3.3
105.07039	0.1
107.08566	0.1
109.10153	0.1
116.99473	0.1
119.08599	0.1
121.10081	0.2
124.99979	33.5
133.10132	0.1
135.20424	0.1
141.97824	0.1
143.01036	0.8
184.07306	100.0
185.07663	0.4
623.29297	0.1
730.46417	8.0
731.47119	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.2
56.05022	0.7
57.07062	0.1
58.06571	0.2
59.07370	0.1
60.08155	8.4
63.68685	0.1
66.37418	0.1
67.05489	0.9
69.07043	0.2
70.06599	0.1
71.07357	4.6
79.05470	0.5
81.03405	0.2
81.07049	0.9
86.09694	48.9
87.10052	0.2
91.05466	0.5
93.07015	0.6
95.04940	0.2
95.08585	0.7
97.06609	0.1
98.98444	4.0
100.50671	0.1
104.10722	3.5
105.06990	0.6
107.08581	0.3
109.10159	0.3
113.26627	0.1
119.08574	0.2
121.10088	0.2
124.99986	34.4
131.08525	0.1
133.10132	0.1
143.01059	0.6
157.10036	0.1
159.87975	0.1
184.07315	100.0
185.07675	0.2
333.46381	0.1
404.13330	0.2
489.80734	0.1
505.38947	0.3
627.81946	0.1
730.46460	9.1
731.46790	0.6
736.75464	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	730.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05249	1.9
55.05495	21.5
57.03421	10.0
57.07060	29.2
67.05491	40.3
69.07040	14.1
71.08617	22.6
74.56503	2.2
79.05469	59.7
81.03406	9.6
81.07040	46.2
83.04971	9.5
83.08585	11.4
85.06549	2.8
85.10162	13.3
91.05455	44.9
93.07018	58.0
95.04964	19.1
95.08578	42.6
97.06501	3.2
97.10142	2.4
97.77821	2.2
105.07010	33.7
107.08562	13.9
109.10139	17.4
117.06982	9.0
119.08549	16.0
121.10173	3.6
123.11681	2.6
128.06203	3.2
129.06992	11.5
131.08519	3.1
133.10046	8.4
143.08562	3.1
145.10110	4.9
147.11661	27.2
151.69989	2.4
161.13211	9.5
171.11722	20.5
189.12700	5.3
207.13771	16.5
281.17407	48.4
313.27322	42.2
422.80685	2.4
474.28839	2.4
519.40344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	730.4883
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97078	0.2
54.81683	0.2
55.01864	0.3
55.05503	5.1
55.05751	0.2
56.05027	4.5
56.23049	0.2
57.03432	0.8
57.07064	2.3
58.02954	0.3
60.04514	100.0
67.05492	8.6
68.05023	0.4
69.07053	5.9
70.06579	1.0
71.04984	0.3
71.08616	1.3
72.04488	2.1
74.06064	2.1
79.05466	4.3
80.05001	0.9
81.03422	0.4
81.07039	8.8
82.06567	1.4
83.04986	0.9
83.08604	3.9
83.91905	0.2
84.08149	0.3
85.10154	0.3
86.06049	0.9
90.05538	1.6
91.05459	3.4
92.06893	0.2
93.07024	4.9
93.70218	0.2
94.06552	1.2
95.04969	0.8
95.07308	0.3
95.08581	8.7
95.92142	0.2
96.08117	0.5
97.06519	1.0
97.10165	1.8
98.06055	0.3
100.07613	0.4
103.68703	0.2
104.72440	0.2
105.07019	1.8
107.08564	2.2
108.08105	0.3
109.10136	3.4
109.10769	0.2
111.08076	0.3
111.11727	0.3
112.07612	0.4
116.07094	0.2
118.50832	0.2
119.08555	3.2
121.10146	1.9
123.08064	0.3
123.11692	1.1
133.10126	1.0
135.11685	0.9
137.13229	0.3
137.83356	0.2
147.11708	0.4
149.13274	0.3
151.14732	0.2
154.12285	0.2
236.23831	0.2
250.25322	1.3
262.25235	2.3
263.23517	0.3
268.26282	0.5
280.26288	9.4
298.27344	8.8
301.88330	0.2
316.28403	83.2
317.28815	0.9
317.54385	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	729.3659
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.5
55.05500	0.7
57.03434	3.1
59.04973	0.6
61.02917	5.1
67.05499	3.3
69.03416	3.5
69.07059	0.6
71.04977	1.9
73.02901	4.1
75.22498	0.3
79.05488	4.1
83.04974	1.7
83.08608	2.6
85.02901	7.6
87.04431	0.6
91.03941	2.9
91.05453	5.9
93.07030	2.8
95.04941	3.4
95.08601	2.2
97.02889	4.9
97.06498	0.5
99.04422	0.6
101.02369	1.7
104.46006	0.5
105.07008	3.4
105.85519	0.4
107.08590	1.9
109.02885	0.7
111.08092	0.8
119.08535	2.9
121.10120	2.7
127.03926	0.8
129.06989	1.7
131.08553	2.8
133.10123	2.3
147.11723	3.7
149.09619	1.6
157.10112	1.7
175.11174	2.6
193.12198	3.4
211.13235	0.7
225.14799	0.6
243.05882	0.4
243.08278	4.0
251.12636	0.5
267.15955	1.6
269.12424	0.4
283.15091	4.8
307.15146	0.7
469.20428	12.7
501.22971	13.3
567.31256	0.6
636.50360	0.4
729.36530	100.0
730.36646	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	729.3078
Annotation	Licoagrodin
Peak:m/z	Relative Intensity
54.81864	0.8
55.05497	0.9
56.96542	1.4
57.03427	0.9
61.02892	1.0
64.88409	0.9
67.05483	5.1
69.03410	1.7
69.10239	0.8
71.28246	0.9
73.02895	0.9
79.05463	4.5
81.07027	4.5
85.02879	3.6
88.35998	0.9
91.05457	4.8
93.07025	1.8
95.04920	1.3
95.08549	1.8
97.02859	1.2
105.07026	1.4
107.04899	1.2
109.06454	1.5
109.10132	1.9
119.08598	1.4
121.10098	1.1
128.88799	1.1
133.10101	1.3
142.64630	1.0
211.13345	1.0
220.43555	1.2
259.63950	1.1
264.82220	1.0
267.09061	2.2
285.09982	2.4
411.13882	0.9
469.20541	1.4
501.23138	1.6
544.19012	1.9
627.27344	4.1
628.27917	1.9
729.30609	100.0
730.30859	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	729.3296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.3
55.05496	2.6
57.03424	3.9
57.07059	1.1
61.02916	6.6
61.23790	0.5
67.05489	3.8
69.03407	4.4
69.07052	1.2
71.04990	0.9
73.02902	3.6
79.05474	3.9
81.07031	4.0
83.01084	2.6
83.04963	1.0
83.08598	0.9
85.02891	6.5
86.84145	0.5
91.03925	6.2
91.05456	2.8
92.08728	0.5
93.06998	4.4
95.01065	2.3
95.04945	1.2
95.08582	2.4
96.01875	1.9
97.02905	6.7
97.06514	0.9
99.04448	0.9
101.02374	0.7
105.07001	2.6
107.04935	1.1
107.08572	2.9
109.02835	1.0
109.06557	0.9
109.10160	1.0
113.02116	0.5
116.06293	0.5
117.05513	1.0
117.07005	1.0
119.08556	1.0
121.02605	1.3
121.10111	1.2
123.04179	1.1
125.02036	0.6
125.09605	2.1
127.03867	2.4
127.11203	0.8
129.05426	4.6
129.06914	0.6
131.08537	0.8
135.11656	0.7
137.27960	0.5
139.03618	1.3
143.08508	0.5
145.10156	0.7
147.11665	0.8
157.04749	1.2
158.10600	0.6
163.11218	1.2
167.03151	1.1
181.04701	2.1
184.03490	1.1
185.04182	13.7
191.10457	0.7
193.04778	0.9
195.06139	0.6
199.13344	0.8
201.03682	5.6
201.14914	0.9
203.05324	0.7
205.12343	0.6
207.06224	0.8
207.09940	0.6
209.11537	0.9
215.96916	0.5
221.07889	0.5
229.14189	0.6
239.05244	0.8
241.06857	2.1
243.08336	7.9
249.10933	2.7
251.12469	0.6
259.07803	1.2
267.11929	1.1
277.13980	0.9
281.13647	0.7
283.15402	0.7
291.15671	0.6
293.13547	2.2
301.08881	32.0
307.15363	0.7
313.08847	4.8
315.10489	7.6
317.08517	2.0
319.10046	1.1
327.10388	2.2
329.12146	2.0
341.12079	2.7
343.13635	0.9
355.13538	1.2
357.15152	1.1
365.15823	2.1
369.26263	1.0
371.16901	1.1
373.10934	6.3
383.16763	4.6
385.11081	1.2
385.13080	0.9
385.18222	14.4
385.23108	0.6
387.12537	2.2
399.12680	0.8
401.17929	2.4
411.15680	0.8
413.18103	2.3
415.15872	0.7
425.17526	0.6
427.15604	0.8
429.17416	0.7
439.19278	1.1
443.18839	1.3
449.24875	1.0
455.18872	2.7
457.20294	4.1
467.18796	6.1
469.20291	2.7
471.21741	0.8
473.20016	2.5
483.22308	0.9
485.19812	3.0
499.21185	0.9
511.21530	2.1
527.20905	15.1
527.28064	1.0
557.22131	2.1
596.31549	4.8
611.30109	10.8
627.29633	3.6
667.32324	0.7
695.32306	2.0
728.34869	0.9
729.32904	100.0
730.33014	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	728.4576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.2
53.33210	0.8
54.81316	0.9
55.01869	2.8
55.05503	32.8
56.93537	0.9
57.03168	2.1
57.03425	26.4
57.07058	2.1
61.02912	4.4
64.16349	1.0
65.03920	1.5
67.05490	83.2
69.03411	2.1
69.06707	1.7
69.07054	25.3
71.01325	4.9
71.04977	5.7
74.43366	1.0
79.05473	86.3
81.03400	4.3
81.07039	63.4
83.04955	13.5
83.08605	10.8
85.02901	2.4
85.06528	5.9
86.09692	1.3
87.79203	1.0
91.05462	87.8
92.09188	8.3
93.07022	100.0
95.04951	13.0
95.08581	37.2
96.27204	1.2
97.02875	1.7
97.06510	14.2
97.10161	11.7
99.08067	4.7
103.05430	1.7
105.07015	84.1
107.04932	2.4
107.08577	53.2
109.06525	2.3
109.10144	17.2
111.08085	1.2
113.09634	1.2
115.05471	1.7
117.07003	23.9
119.07707	2.2
119.08559	65.5
121.06525	1.6
121.10104	23.9
123.08051	2.2
123.11692	2.1
125.09628	1.9
128.06194	1.8
129.06999	13.2
130.07826	1.5
131.08546	30.1
133.10098	47.6
135.08029	1.7
135.11673	50.4
137.09630	1.5
142.07777	1.3
143.08582	13.2
145.10086	31.7
147.11665	38.7
149.09575	2.2
149.13223	8.4
151.11145	1.7
155.08473	1.3
157.10077	13.3
159.11685	20.3
161.13216	24.1
163.11172	5.3
163.14827	2.3
171.11656	17.2
173.13242	7.9
175.14819	11.3
181.12209	5.6
184.07341	5.0
185.13231	8.9
187.14813	4.8
189.12653	1.5
199.14835	5.1
215.17906	1.4
231.21101	5.7
241.19467	23.5
253.14270	5.8
255.13239	1.7
255.15852	50.6
257.19067	1.4
259.20520	68.1
261.22061	1.2
315.23026	2.4
333.24149	36.0
421.30716	2.4
439.31946	4.5
443.71185	1.4
495.34891	2.6
513.35657	58.1
531.36841	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	728.4573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.6
54.81553	1.0
55.01862	6.8
55.05286	1.3
55.05507	15.0
57.03424	13.5
57.07064	1.3
61.02914	4.5
65.03951	1.0
67.05491	64.2
67.05853	2.5
69.03415	5.1
69.07053	18.3
71.04975	4.8
73.02927	1.4
79.05477	34.5
81.03423	4.7
81.07038	59.2
83.04956	7.6
83.08604	6.4
85.02898	6.2
85.06535	6.4
90.06448	1.0
91.05460	47.4
93.03358	1.2
93.07022	36.5
95.04944	10.9
95.08581	28.0
97.06512	2.2
99.04441	1.7
105.07019	40.4
107.08582	44.3
109.06525	7.7
109.10143	62.0
113.06001	1.7
117.06995	2.7
119.08574	10.8
121.10132	13.1
123.11674	12.8
127.07536	2.2
129.07002	1.5
131.08537	11.3
133.10106	69.6
135.11650	8.9
143.08444	1.2
145.10091	6.3
147.11710	2.5
149.13179	3.9
151.11176	30.2
156.43523	1.1
159.11694	2.0
161.09586	2.3
161.13245	1.1
163.14795	1.7
169.12173	4.9
173.13223	2.6
179.10655	1.6
215.12724	1.4
243.21059	1.4
253.14291	100.0
261.22113	10.8
271.15308	34.2
279.23132	1.3
335.25732	29.2
439.32373	1.5
484.22263	1.4
513.35413	10.6
531.29333	1.5
531.36755	44.0
596.64124	1.3
597.94098	1.1
609.99054	1.2
688.64209	1.3
709.30237	1.6
734.58264	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4491
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.2
56.05012	0.5
58.06584	0.4
58.22522	0.1
60.08149	9.1
67.05473	0.2
69.07053	0.1
71.07352	4.9
79.05462	0.6
81.03407	0.2
81.07008	0.4
82.93826	0.1
83.08601	0.1
86.09686	47.0
87.10002	0.2
91.05446	0.5
93.07029	0.3
95.04972	0.1
95.08602	0.2
97.33518	0.1
98.98438	4.4
103.91454	0.1
104.10724	3.3
105.07031	0.2
107.08578	0.1
119.08601	0.1
124.99976	34.1
126.90739	0.1
143.01041	0.4
184.07300	100.0
185.07658	0.5
221.79420	0.1
223.31145	0.1
254.57823	0.1
429.02509	0.1
503.37323	0.2
728.44818	9.7
729.45026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	728.4468
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38751	1.1
55.05506	7.9
56.05036	2.1
57.03439	2.9
57.07064	14.2
65.03940	1.3
67.05494	22.0
69.03464	1.6
69.07072	7.4
71.04996	1.4
71.07369	18.2
71.08620	11.1
79.05468	11.8
81.03416	6.2
81.07037	19.0
83.04987	2.4
83.08623	7.7
85.02914	3.2
85.10194	5.3
86.09695	86.9
91.05470	14.2
93.07024	13.3
95.04977	6.2
95.08592	16.1
96.11931	1.5
97.06547	2.1
100.96744	1.2
105.07018	15.0
107.04923	1.2
107.08611	7.3
109.10163	6.4
119.08554	9.6
121.10121	4.6
123.11665	2.2
125.00002	8.5
131.08597	6.4
133.10170	5.8
143.08633	1.8
145.10159	5.5
146.98170	62.3
147.11720	1.9
157.10216	3.0
164.99231	2.1
184.07314	16.5
241.58142	1.2
377.66592	1.4
413.12640	1.5
545.38049	62.6
546.38049	1.9
669.37256	100.0
670.37408	1.8
728.44684	90.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	727.3501
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17407	0.4
53.00315	0.4
53.03937	0.7
55.01857	1.8
55.05494	4.1
57.03432	4.7
59.04990	0.8
61.02918	6.5
62.12194	0.5
63.97035	0.4
66.94293	0.5
67.05491	11.3
69.03407	4.6
69.07051	2.3
70.89115	0.5
71.04962	4.1
71.89984	0.5
73.02908	3.8
79.05470	6.5
81.03400	11.6
81.07043	9.4
82.07393	0.5
83.01344	0.5
83.04970	2.4
83.08598	4.4
85.02882	8.2
85.03303	0.6
85.06516	0.8
86.09705	2.1
91.03949	2.7
91.05459	8.2
92.05758	0.6
93.07014	6.8
95.04943	5.9
95.08580	4.3
97.02850	5.1
97.06532	1.2
97.10136	0.8
99.04443	1.3
101.02370	1.0
105.07005	4.7
107.04949	2.3
107.08576	4.8
109.02843	0.6
109.06513	2.5
109.10152	4.0
110.10486	0.7
111.08072	2.1
117.07008	2.4
119.08559	4.6
119.34684	0.5
121.06523	2.2
121.10133	2.8
123.08131	1.1
124.99980	0.6
127.03923	1.3
129.07010	2.5
131.08549	3.9
133.10144	3.0
135.11716	3.1
145.10117	2.3
147.08002	0.7
147.11726	2.2
149.09636	3.2
157.10138	2.6
163.11201	3.3
175.11223	1.2
184.07312	3.9
189.37700	0.5
193.12279	2.7
211.13245	1.0
243.08469	3.5
249.10895	1.0
267.15955	3.5
283.15201	6.5
339.17798	0.9
421.26080	1.0
422.25949	0.6
447.27417	6.3
448.27725	6.4
461.28989	0.9
462.29175	0.7
467.18762	10.2
469.20444	0.6
501.22891	11.8
513.12750	0.6
719.81464	0.6
727.35071	100.0
728.35718	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	726.434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68742	0.6
52.05424	0.6
54.81699	0.7
55.05498	3.8
56.05036	0.7
57.07062	1.1
60.08147	9.8
67.05502	4.9
69.07036	1.4
71.07342	3.6
79.05465	4.9
81.03392	0.7
81.07025	8.3
83.08580	1.5
86.09685	52.1
91.05447	4.4
93.07030	6.5
95.04937	3.8
95.08557	4.3
98.98426	5.3
104.10734	1.6
105.06996	4.7
106.33613	0.7
107.08568	4.4
108.86604	0.6
109.06489	1.1
109.10152	1.5
111.04375	1.0
117.07001	1.3
119.08543	3.5
121.10114	1.7
124.53699	0.7
124.99064	1.4
124.99973	38.7
129.06923	0.9
131.08519	2.8
133.10149	2.2
135.11638	2.6
141.06787	0.7
145.10086	3.4
147.11646	1.3
159.11790	0.8
184.07292	100.0
185.07643	1.2
209.11670	0.9
242.36882	0.9
303.90094	0.7
442.41370	0.8
447.78400	0.9
519.36511	1.3
537.37506	1.3
590.31500	1.0
636.13538	0.8
694.69678	0.9
724.60150	0.7
726.42780	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	727.3505
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63297	0.8
53.03946	1.1
53.34439	0.7
55.01858	1.4
55.05502	6.3
56.05849	1.0
57.03429	8.3
60.88177	0.8
61.02911	7.9
64.33630	1.0
67.05485	15.1
69.03403	5.6
69.07045	5.4
71.04974	3.3
73.02894	4.3
73.96925	0.8
79.05470	14.9
81.03394	17.6
81.07039	12.3
83.04964	4.4
83.08607	5.7
85.02885	9.0
86.09686	1.4
91.03930	3.5
91.05465	12.7
92.13194	0.9
93.07015	8.5
95.04948	11.5
95.08574	6.8
97.02885	7.0
97.06527	2.1
97.10164	1.8
99.04420	1.6
101.02363	1.3
105.07014	9.5
107.04946	5.4
107.08580	7.5
109.02844	1.5
109.06522	3.2
109.10136	4.1
111.08055	1.3
117.07020	3.4
119.08557	6.5
119.39403	0.9
121.06530	1.0
121.10137	3.9
123.08068	1.3
125.00001	1.0
129.05438	0.8
129.06998	2.1
131.08516	5.9
133.10159	4.2
135.11717	4.3
145.10127	1.9
147.11691	3.7
149.09552	1.5
150.83640	1.0
157.10028	1.8
163.11215	6.9
175.11214	1.6
184.07379	5.3
193.12254	4.6
211.13268	1.6
212.13763	1.1
227.12865	1.8
243.08485	3.6
249.11005	3.7
257.08179	1.4
267.15927	3.8
269.17175	1.2
281.13553	1.1
283.15173	1.2
285.16833	1.2
447.27542	4.3
448.27847	4.1
461.28903	1.3
462.29343	3.9
467.18628	9.9
469.20572	1.9
499.21585	1.9
501.22949	13.3
577.97589	1.0
727.35028	100.0
728.35565	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	726.434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68742	0.6
52.05424	0.6
54.81699	0.7
55.05498	3.8
56.05036	0.7
57.07062	1.1
60.08147	9.8
67.05502	4.9
69.07036	1.4
71.07342	3.6
79.05465	4.9
81.03392	0.7
81.07025	8.3
83.08580	1.5
86.09685	52.1
91.05447	4.4
93.07030	6.5
95.04937	3.8
95.08557	4.3
98.98426	5.3
104.10734	1.6
105.06996	4.7
106.33613	0.7
107.08568	4.4
108.86604	0.6
109.06489	1.1
109.10152	1.5
111.04375	1.0
117.07001	1.3
119.08543	3.5
121.10114	1.7
124.53699	0.7
124.99064	1.4
124.99973	38.7
129.06923	0.9
131.08519	2.8
133.10149	2.2
135.11638	2.6
141.06787	0.7
145.10086	3.4
147.11646	1.3
159.11790	0.8
184.07292	100.0
185.07643	1.2
209.11670	0.9
242.36882	0.9
303.90094	0.7
442.41370	0.8
447.78400	0.9
519.36511	1.3
537.37506	1.3
590.31500	1.0
636.13538	0.8
694.69678	0.9
724.60150	0.7
726.42780	5.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.4262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.8
54.81347	0.9
55.01859	4.2
55.05501	16.9
57.03423	14.4
58.03767	0.8
59.04976	3.6
61.02899	1.1
67.05488	54.6
67.05849	1.9
69.03416	3.5
69.07055	8.8
71.01328	1.0
71.04974	17.6
73.02901	1.0
74.41265	0.9
79.05471	22.4
80.05807	0.8
81.03394	45.7
81.07033	32.2
82.03731	1.0
82.07373	3.3
83.04958	8.2
83.08595	18.0
85.02874	3.5
85.06518	3.5
87.04430	0.9
91.05453	27.2
93.07021	23.5
94.07323	1.0
95.04939	21.3
95.08575	13.9
97.02889	1.4
97.06491	3.6
97.10152	5.7
103.05438	1.2
105.07012	19.9
107.04937	13.4
107.08572	16.4
109.06496	14.2
109.10133	40.6
111.04439	1.1
111.08067	4.6
115.05389	0.9
117.07040	6.9
117.07754	0.7
118.51208	0.9
119.08556	21.9
121.06472	10.8
121.10113	10.5
122.10509	1.1
123.08062	5.0
123.11685	3.8
125.09584	6.0
128.06183	1.2
129.05492	1.0
129.06984	9.5
131.08533	13.3
133.06514	3.1
133.10104	10.0
135.08051	7.1
135.11678	8.7
137.09592	6.1
139.11163	1.0
142.07774	1.6
143.08556	3.3
145.06482	2.0
145.10062	6.9
147.08058	4.6
147.11653	10.0
148.12001	1.8
149.09610	4.0
151.11275	2.7
155.08513	1.3
155.10553	0.9
157.10091	7.1
159.11665	4.5
161.09456	1.1
163.11159	5.1
165.12721	3.3
167.10670	1.7
171.11679	1.5
173.11732	5.4
173.13263	4.1
175.11174	4.9
187.11212	1.2
189.11156	1.5
191.14240	1.9
193.12166	8.5
194.12677	1.4
203.14215	1.1
205.12178	0.9
211.13278	1.5
219.13757	4.4
227.12598	1.5
229.14281	1.2
243.15868	1.0
253.14276	3.7
267.15842	20.6
268.16196	4.9
269.12204	1.1
269.16934	1.2
285.16846	3.6
286.17273	1.6
287.18402	2.0
311.19989	1.3
329.21045	7.9
337.21600	1.3
355.22614	3.6
393.84598	1.0
403.24792	3.9
421.25574	14.1
425.25424	1.2
429.26099	5.2
447.27310	100.0
448.27527	1.9
461.28699	4.7
478.28607	4.5
479.29688	7.4
514.85059	0.9
669.31482	1.0
739.40143	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48890	0.5
53.03938	1.2
55.01863	3.1
55.05506	11.8
57.03429	10.0
57.07067	0.7
58.06567	0.7
59.04986	0.6
59.32508	0.5
60.08160	7.2
61.02903	4.5
65.03932	0.6
67.05495	23.7
69.03436	4.9
69.07056	6.0
71.04979	3.0
71.07355	1.5
73.02887	2.3
75.58641	0.5
79.05473	21.5
81.03405	18.7
81.06592	1.1
81.07046	23.9
81.07531	0.9
82.03720	0.6
83.04964	8.5
83.08601	8.2
85.02890	8.8
85.06512	0.9
86.09695	34.7
91.03954	3.2
91.05463	19.6
92.05781	1.0
92.65218	0.6
93.07027	19.9
95.04948	12.6
95.08582	11.6
96.08932	0.5
97.02889	4.0
97.06509	3.6
97.10140	4.6
98.98454	1.5
99.08138	0.8
104.10725	1.5
105.07026	13.8
106.07388	1.0
107.04960	6.0
107.08585	9.7
109.02800	0.7
109.06509	4.1
109.10144	7.8
111.04422	2.3
111.08045	4.5
117.07014	5.2
119.08574	11.1
121.06514	3.6
121.10139	8.2
123.04390	0.7
123.08060	1.4
124.99989	20.3
125.09629	3.3
129.05470	4.0
129.06987	5.5
131.08543	7.9
133.10098	9.4
135.08049	1.1
135.11693	4.6
137.09583	1.3
142.07771	1.4
143.08553	0.9
145.10136	4.7
147.08049	1.4
147.11676	5.9
149.09613	4.1
149.13280	2.5
157.10129	4.1
159.11664	2.8
161.09657	0.7
161.13197	0.8
163.11186	4.2
173.11751	1.1
175.11157	3.4
177.12802	0.7
181.12215	0.8
184.07315	100.0
193.12253	6.8
209.11745	2.7
211.13304	6.1
213.50449	0.7
227.12708	0.8
229.14343	4.6
255.15872	2.5
267.15863	12.0
268.16248	1.0
269.17419	6.7
275.19980	2.8
283.15347	3.0
284.15540	1.0
285.16861	5.7
287.14865	1.3
301.16498	3.5
309.20685	1.4
349.23572	8.7
367.24576	2.9
383.22287	0.8
421.25674	0.8
439.26651	3.1
447.27563	0.8
460.28110	0.7
461.28775	1.2
464.70239	0.7
475.26895	2.7
478.28577	1.1
493.27753	3.8
510.27469	0.9
511.28708	7.1
529.29401	1.2
676.34442	13.4
677.34167	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	726.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03721	0.8
53.03939	6.9
55.01862	12.7
55.05503	59.3
57.03174	2.0
57.03428	36.5
57.07066	1.1
58.64106	1.0
59.04982	5.4
59.72289	0.9
60.08147	2.1
61.02914	6.6
65.03934	1.9
67.05492	100.0
67.96278	1.0
68.05824	1.3
69.03417	11.1
69.07048	20.9
71.01334	1.4
71.04977	9.8
71.07349	1.4
73.02897	1.9
77.55596	1.0
79.05476	59.0
81.03400	87.8
81.07037	64.9
81.07532	1.2
82.03709	1.3
83.04964	28.9
83.08604	38.0
85.02890	39.8
85.06528	5.6
86.09686	25.2
87.04445	6.8
91.03931	1.3
91.05460	61.8
92.08626	1.3
93.07021	44.0
95.04948	42.0
95.08585	24.9
96.05277	1.0
97.02854	8.4
97.06522	10.4
97.10152	23.3
97.85428	0.9
99.08078	1.9
105.07008	38.6
107.04935	17.5
107.08588	21.7
108.08916	1.1
109.06501	8.3
109.09385	2.1
109.10133	55.9
111.04412	5.7
111.08065	15.1
112.39783	1.0
113.06002	2.5
115.05427	1.5
117.06989	8.5
119.07710	1.9
119.08564	31.6
121.06506	4.8
121.10114	22.6
123.08055	5.6
123.11677	2.0
124.99976	20.5
125.05973	1.2
125.09623	13.2
127.03899	1.6
129.05457	5.9
129.06964	19.6
131.08549	25.9
133.06497	5.5
133.10117	19.2
135.08029	1.8
135.11720	5.3
137.09624	6.3
139.11212	1.3
142.07779	4.3
143.10603	1.3
145.10127	7.6
147.08041	5.4
147.11681	17.8
149.09610	15.0
151.11229	1.4
153.12674	1.2
155.10635	1.3
157.10075	18.8
163.11154	6.9
165.12737	2.2
167.10744	1.5
169.10403	1.0
173.05948	1.0
173.11731	11.4
173.12990	1.3
175.11145	16.6
177.05467	1.6
181.12201	1.3
184.07304	80.3
188.10027	1.1
191.10672	1.2
193.12209	46.0
194.12589	1.1
199.13261	6.5
209.11710	2.1
211.13252	47.4
227.12785	5.7
229.14310	35.3
255.15913	1.3
267.15866	38.3
268.16306	2.1
283.15320	10.1
285.10138	1.6
285.16891	38.4
287.14835	12.6
300.18820	1.1
301.16379	16.5
359.74881	1.2
383.21960	1.2
409.25735	1.2
421.25745	8.9
427.26743	4.5
439.26840	36.5
475.26617	2.4
479.26407	10.7
493.27795	8.4
511.28735	15.4
529.29932	5.7
676.33807	8.0
726.37775	1.8
741.50220	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95472	0.2
55.05505	0.9
56.05024	0.2
57.07053	0.3
60.07862	0.3
60.08154	7.4
67.05489	1.1
69.07040	0.3
70.61355	0.2
71.07354	2.9
76.29065	0.2
79.05461	1.3
81.07047	1.2
83.04954	0.3
86.04900	0.2
86.09691	39.9
91.05464	1.0
93.06998	1.5
95.04980	0.3
95.08573	0.9
97.96854	0.2
98.98437	3.5
100.38550	0.2
104.10722	3.1
105.07009	1.6
107.08575	0.8
115.56625	0.2
118.16748	0.2
119.08548	0.5
121.10159	0.3
123.08014	0.3
124.99981	29.1
131.08565	0.3
133.10086	0.9
138.19469	0.2
143.01054	0.4
145.10063	0.3
147.11626	0.3
158.88081	0.2
159.11667	0.3
161.13239	0.2
171.11592	0.3
184.07309	100.0
185.07683	0.9
252.64182	0.3
338.05261	0.3
688.45319	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	725.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67482	0.4
53.91379	0.4
55.05502	3.1
56.27349	0.5
56.27662	0.4
57.03429	2.8
57.07069	3.8
59.04972	0.4
61.02912	5.7
67.05494	7.3
67.77383	0.5
69.03414	2.9
69.07055	3.3
71.04958	0.7
71.08627	2.3
73.02882	3.9
79.05460	4.7
81.03402	2.7
81.07037	9.9
83.04987	1.2
83.08613	2.9
85.02891	4.8
85.10173	1.0
88.50469	0.6
91.03919	4.1
91.05453	5.9
92.08556	1.1
93.07028	7.4
95.04965	2.3
95.08572	5.6
97.02862	4.4
97.06509	0.6
99.04407	0.6
101.02371	2.5
105.07018	5.8
107.04939	0.7
107.08604	4.5
109.06541	1.2
109.10146	3.2
117.07053	0.6
119.08562	5.6
121.10127	2.7
127.03906	1.0
131.08556	2.2
133.10129	3.1
142.07721	0.6
143.08586	0.9
145.10141	2.8
147.11678	2.6
149.13245	0.6
157.10121	1.1
159.11687	1.2
193.12256	0.6
216.73785	0.6
233.81085	0.6
243.08391	3.0
251.12439	0.6
259.11188	0.5
269.17383	0.8
313.27414	0.9
335.25909	0.7
417.47559	0.6
469.20529	10.2
497.31201	4.8
529.38556	2.3
563.39465	0.6
588.74194	0.8
725.44330	100.0
726.44623	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.4541
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	0.4
57.03404	0.2
58.06587	0.2
60.07858	0.4
60.08150	9.2
62.13516	0.2
67.05481	0.9
69.07052	0.4
71.07349	4.2
72.36440	0.2
79.05457	1.2
81.07030	1.3
86.09687	47.4
91.05455	1.2
92.08638	0.6
93.07027	1.2
95.04961	0.4
95.08582	0.5
98.97935	0.2
98.98456	3.7
104.10706	3.3
105.07037	1.5
107.08561	1.0
109.03516	0.2
109.10158	0.4
114.72380	0.2
117.07021	0.3
119.08566	0.9
121.10154	0.4
124.99977	35.6
126.00298	0.2
131.08525	0.3
133.10156	0.8
135.11685	0.2
143.01036	0.3
143.08380	0.3
145.10100	0.3
147.11540	0.3
157.75618	0.2
161.25015	0.2
184.07300	100.0
185.07622	0.4
625.33844	0.2
724.45313	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	724.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01488	0.5
53.20314	0.5
55.01863	3.9
55.05503	14.2
56.70486	0.5
56.70750	0.5
57.03426	17.9
59.04972	0.7
60.83686	0.5
65.03929	0.7
67.05492	21.3
69.03409	3.1
69.07022	4.6
71.04979	4.0
73.46409	0.5
79.05475	23.7
81.03398	100.0
81.06588	0.5
81.07036	25.2
83.04963	11.5
83.08598	25.3
85.02885	13.9
85.06507	0.8
91.05460	30.6
93.07023	17.2
95.04945	28.8
95.08583	8.1
97.02868	2.8
97.06517	3.3
97.10142	6.1
99.08087	0.7
105.07010	23.2
107.04942	9.6
107.08560	8.6
109.06504	6.3
109.10129	4.6
111.04446	1.5
111.08065	9.3
113.06000	1.3
115.05405	1.0
117.06967	2.8
119.04929	0.9
119.08557	21.7
121.06513	5.9
121.10116	9.7
122.92095	0.8
123.04376	0.8
123.08047	3.1
123.11684	0.9
125.09648	2.8
129.06978	16.6
130.05432	0.6
131.04915	0.8
131.08533	13.4
133.06470	4.2
133.10110	8.6
135.07988	1.1
137.09599	2.7
141.06989	0.9
142.07767	3.8
143.08627	0.8
145.06468	5.3
145.10118	2.8
147.06984	0.6
147.07990	5.2
147.11653	13.1
149.09583	6.3
153.09106	0.7
155.08566	1.2
157.10117	16.0
163.11198	2.5
165.12706	2.8
171.08064	2.5
175.11165	13.3
185.09776	0.8
189.12637	0.8
193.12196	34.9
205.12119	0.7
211.11293	1.4
211.13213	13.8
213.12677	1.0
233.15398	0.9
249.14909	1.0
255.13641	1.0
267.15842	69.9
273.14828	5.3
285.16879	9.9
301.37540	0.7
341.20834	1.0
349.21637	2.9
367.22568	5.6
385.23508	6.8
403.25009	2.4
433.25671	8.9
441.26312	4.6
459.27319	57.4
477.28391	34.5
584.84747	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	724.3738
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.7
55.01867	31.0
55.05502	44.7
57.03427	36.7
57.07070	8.1
59.04987	2.0
61.02909	11.1
67.05488	52.5
69.03412	10.5
69.07052	11.5
70.04178	1.0
71.01334	1.3
71.04971	4.2
73.02904	13.8
79.05473	53.8
80.06230	1.6
81.03394	28.3
81.07034	34.5
81.07476	2.0
82.04154	11.2
83.04955	25.7
83.08587	16.1
84.02110	3.7
84.05748	1.5
85.02890	8.3
85.06528	1.9
91.03931	2.5
91.05460	34.4
93.07021	31.1
94.07808	1.8
95.04942	34.1
95.08579	15.6
96.05752	1.7
97.02858	14.1
97.06508	11.5
97.10140	28.4
98.07288	15.1
99.04436	1.4
99.08047	1.0
100.98822	1.0
101.05996	1.9
105.07011	19.9
107.04921	9.9
107.08564	22.5
109.02881	2.3
109.06483	6.5
109.10126	13.4
111.04420	4.8
111.08069	7.5
115.03935	1.1
116.04694	32.7
117.06984	9.9
119.08549	16.9
121.06461	4.5
121.10117	9.4
122.11048	1.0
123.08045	9.5
125.09611	31.2
126.10394	1.2
127.11179	1.9
129.05447	77.0
129.06987	6.0
131.08545	11.3
132.09355	1.4
133.10104	12.4
135.08040	6.3
135.11665	9.3
136.08807	1.9
137.09607	6.7
142.07727	1.3
143.07030	17.5
143.10599	1.4
145.06445	1.1
145.10118	9.1
147.08012	2.4
147.11653	11.3
149.09663	1.6
153.09077	4.0
153.12700	2.6
155.10681	1.1
157.08578	35.8
157.10045	6.7
158.05730	1.9
163.11166	11.8
165.12685	1.6
171.06445	2.2
171.10127	11.1
173.11696	1.7
175.11118	4.0
181.12210	2.5
183.06456	2.2
185.08084	1.2
185.11734	2.0
189.11169	14.4
193.12270	6.6
199.09662	1.3
199.13260	13.5
200.13985	4.6
201.14758	1.5
209.11716	8.4
210.12538	1.4
211.09639	2.2
211.13173	1.8
227.12747	21.0
229.14250	6.2
230.71596	1.1
237.10992	1.3
253.84492	1.0
255.15907	2.3
267.15936	9.0
283.15268	11.2
284.16318	1.3
301.16394	100.0
314.37112	1.2
355.17117	1.3
443.26074	5.6
455.26440	7.4
493.27814	5.9
509.27231	6.8
510.28064	5.6
527.28375	74.0
528.28680	4.0
549.41772	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30954	2.5
53.03934	4.4
54.61170	2.6
55.01861	7.0
55.05505	51.6
57.03419	22.4
57.07061	5.3
61.02912	3.1
65.03937	2.7
66.83324	2.9
67.05489	85.5
67.06008	2.9
69.07059	38.0
71.04972	8.1
78.57323	3.1
79.05475	71.5
81.03410	33.6
81.07039	79.1
83.04965	15.4
83.08598	23.5
85.02868	4.5
91.05457	83.1
93.07022	71.6
95.04942	20.6
95.08582	47.6
97.06496	6.8
97.10136	16.8
105.06379	3.7
105.07018	64.6
106.07429	3.4
107.04934	15.5
107.08579	33.5
109.06481	4.8
109.10128	22.0
111.08032	3.6
117.07005	37.1
119.08541	56.3
121.06466	5.8
121.10110	17.4
123.08046	7.1
125.09598	8.0
128.06165	4.3
129.06992	37.6
130.07814	4.2
131.08540	54.6
133.06456	4.7
133.10123	33.6
135.08025	4.3
135.11699	5.9
141.06989	7.1
142.07729	6.7
143.08549	38.2
145.10112	37.7
147.08057	7.2
147.11685	21.9
149.09579	5.0
155.08510	24.0
157.10109	32.7
159.11667	23.9
161.13173	12.7
163.10983	3.8
167.08623	10.6
169.10071	25.2
171.11668	23.5
173.13129	9.7
175.11224	6.9
181.10071	21.8
183.11615	15.0
185.13200	17.2
187.14912	5.2
187.89217	3.7
193.10170	7.0
193.12006	4.0
195.11670	13.2
197.13191	18.5
199.14787	7.3
207.11665	7.2
209.13223	13.4
211.14900	5.1
213.16371	3.7
229.14311	3.8
231.13828	3.2
239.40410	4.2
259.20538	18.1
265.22952	3.1
285.16919	5.1
295.20654	3.7
331.22040	3.1
333.24121	5.3
415.29694	4.4
433.30896	6.0
446.94321	3.7
451.31952	7.1
469.32861	7.9
489.33185	3.4
507.34299	5.4
525.35834	46.9
541.06372	3.5
543.36639	100.0
561.37372	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.5049
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86717	3.7
54.81937	3.5
55.05490	9.0
55.07717	3.9
55.90976	3.6
57.07071	46.6
59.04961	4.6
67.05492	100.0
69.07055	9.4
71.04966	21.4
71.08615	31.9
79.05457	11.1
81.07033	39.1
83.08598	21.4
85.10146	17.4
86.09657	8.4
91.05473	24.1
93.06998	23.5
95.08591	29.9
97.10147	5.5
105.07000	6.7
107.08568	6.3
109.10152	55.8
117.06984	4.9
119.08540	21.3
121.27679	4.9
124.99983	5.2
131.08551	6.3
135.11736	7.5
137.09560	4.9
140.28296	4.8
143.08546	6.2
145.03954	4.7
162.92923	5.7
173.11789	5.8
184.07274	21.6
287.18472	10.1
299.48209	5.2
303.95746	4.4
313.27393	10.3
467.37360	68.8
525.41412	71.6
680.11121	5.1
722.45099	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	723.4285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94573	1.1
54.95578	1.0
55.05503	2.0
57.07072	5.2
59.26373	1.1
61.02913	5.2
67.05479	2.8
69.03418	2.0
71.04987	1.6
71.08619	1.5
71.47389	1.1
73.02900	2.3
74.32497	1.2
74.72451	1.0
79.05486	1.4
81.03404	1.3
81.07032	2.2
81.82368	1.1
83.03213	1.1
83.08594	1.2
84.79107	1.1
85.02904	5.3
85.10204	1.2
86.09686	1.4
92.08628	5.4
93.07047	3.1
95.08610	6.6
97.02873	5.8
98.61703	1.2
101.02363	1.5
104.13313	1.1
107.08600	2.0
109.10166	1.7
119.08584	1.5
126.01069	1.2
133.10214	1.5
135.11684	2.9
145.10135	2.8
146.62294	1.2
163.11217	3.0
184.07402	8.3
211.32039	1.3
215.53409	1.5
227.12825	2.9
243.08377	2.1
249.10910	10.9
259.46878	1.5
282.95483	1.5
305.13577	2.5
404.97055	1.3
467.18893	10.8
497.30609	7.9
723.42688	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	723.4308
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30954	2.5
53.03934	4.4
54.61170	2.6
55.01861	7.0
55.05505	51.6
57.03419	22.4
57.07061	5.3
61.02912	3.1
65.03937	2.7
66.83324	2.9
67.05489	85.5
67.06008	2.9
69.07059	38.0
71.04972	8.1
78.57323	3.1
79.05475	71.5
81.03410	33.6
81.07039	79.1
83.04965	15.4
83.08598	23.5
85.02868	4.5
91.05457	83.1
93.07022	71.6
95.04942	20.6
95.08582	47.6
97.06496	6.8
97.10136	16.8
105.06379	3.7
105.07018	64.6
106.07429	3.4
107.04934	15.5
107.08579	33.5
109.06481	4.8
109.10128	22.0
111.08032	3.6
117.07005	37.1
119.08541	56.3
121.06466	5.8
121.10110	17.4
123.08046	7.1
125.09598	8.0
128.06165	4.3
129.06992	37.6
130.07814	4.2
131.08540	54.6
133.06456	4.7
133.10123	33.6
135.08025	4.3
135.11699	5.9
141.06989	7.1
142.07729	6.7
143.08549	38.2
145.10112	37.7
147.08057	7.2
147.11685	21.9
149.09579	5.0
155.08510	24.0
157.10109	32.7
159.11667	23.9
161.13173	12.7
163.10983	3.8
167.08623	10.6
169.10071	25.2
171.11668	23.5
173.13129	9.7
175.11224	6.9
181.10071	21.8
183.11615	15.0
185.13200	17.2
187.14912	5.2
187.89217	3.7
193.10170	7.0
193.12006	4.0
195.11670	13.2
197.13191	18.5
199.14787	7.3
207.11665	7.2
209.13223	13.4
211.14900	5.1
213.16371	3.7
229.14311	3.8
231.13828	3.2
239.40410	4.2
259.20538	18.1
265.22952	3.1
285.16919	5.1
295.20654	3.7
331.22040	3.1
333.24121	5.3
415.29694	4.4
433.30896	6.0
446.94321	3.7
451.31952	7.1
469.32861	7.9
489.33185	3.4
507.34299	5.4
525.35834	46.9
541.06372	3.5
543.36639	100.0
561.37372	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4592
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.3
54.81806	0.3
55.05501	0.8
55.24808	0.3
57.07064	0.7
60.08153	9.4
61.92682	0.3
62.83008	0.3
67.05480	2.8
68.05815	0.3
69.07045	0.4
71.07362	3.9
71.08584	0.5
74.46558	0.3
79.05479	1.5
81.03394	2.0
81.07047	3.7
82.03717	0.4
83.08624	0.3
86.09691	44.0
87.04478	0.5
89.06001	1.7
91.05428	1.5
93.07014	2.7
95.04945	0.7
95.08572	1.9
97.06503	0.3
98.98439	3.0
104.10724	2.8
104.65956	0.4
105.06999	2.0
107.08559	1.9
109.10114	1.2
117.06995	0.5
117.54900	0.4
118.41781	0.4
119.08558	1.3
121.06487	0.5
121.10075	0.4
124.99979	30.1
133.06412	0.4
133.08603	0.4
133.10112	0.6
142.07716	0.4
143.00996	0.4
147.11653	0.5
151.60440	0.3
169.10016	0.4
172.53746	0.4
184.07304	100.0
193.79897	0.3
197.18362	0.3
203.60677	0.4
247.56599	0.3
530.39307	2.4
531.39386	1.7
570.58990	0.4
719.93958	0.4
722.46021	10.3
722.58069	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.395
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56756	0.5
52.63606	0.5
53.03924	3.2
55.01863	4.9
55.05503	15.7
57.03172	0.9
57.03425	16.9
57.16793	0.6
59.04986	1.1
61.02890	1.2
62.38516	0.6
65.03928	0.7
67.05138	1.0
67.05490	26.0
67.05840	1.4
69.03399	4.8
69.07048	8.6
70.03307	0.6
71.01331	1.0
71.04960	4.8
79.05470	30.8
81.03398	77.4
81.07033	31.2
83.01311	2.8
83.04968	12.1
83.08598	22.6
85.02887	10.4
85.06528	1.1
85.23862	0.6
86.09674	1.4
90.37568	0.7
91.05459	24.9
92.08777	0.9
93.07018	38.6
95.04942	31.3
95.08000	1.4
95.08582	29.3
95.09191	1.0
97.02867	7.4
97.06514	6.5
97.10149	5.1
99.04408	4.1
105.07018	19.3
107.04944	17.9
107.08565	22.9
109.02870	1.3
109.06496	6.6
109.10134	4.8
111.04431	8.6
111.08067	9.2
113.05989	1.1
115.05407	1.3
117.06991	8.8
119.04890	1.1
119.08559	22.7
121.06503	8.4
121.10111	17.6
123.04383	0.9
123.08059	5.4
124.99980	1.1
125.05950	4.4
125.09534	2.2
129.06972	9.3
130.07741	1.1
131.04892	0.7
131.08530	12.1
133.06445	3.4
133.10110	10.2
135.08043	3.5
135.11665	36.7
137.09595	3.5
138.82222	0.7
139.07382	0.8
142.07790	1.6
143.08554	1.1
145.06471	1.5
145.10100	26.1
147.08008	3.1
147.11653	10.4
149.09578	5.4
151.07501	0.9
153.12711	1.7
155.08482	1.5
157.10095	10.9
163.11147	50.6
165.12721	1.4
173.09557	3.7
175.11176	8.5
181.12210	8.1
184.07324	5.1
189.11058	0.8
191.10693	2.5
193.12206	22.5
205.12061	0.8
209.11670	4.2
211.13258	9.6
213.12704	0.9
223.13271	4.9
227.12738	35.7
231.13776	0.8
241.14317	3.1
265.14255	1.6
267.15842	70.9
273.14713	1.0
276.20224	0.6
283.15344	40.2
285.16815	7.5
289.14319	0.8
315.17987	6.0
383.21915	4.5
401.22974	1.1
457.25717	9.4
475.26801	100.0
476.26935	3.5
493.27948	15.5
507.29379	4.1
525.30383	13.5
658.32776	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	722.4578
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33717	0.3
54.81345	0.4
55.05497	2.4
57.07051	0.4
60.07895	0.5
60.08154	8.6
67.05490	2.3
69.03436	0.4
69.07047	1.0
71.04949	0.5
71.07359	4.3
79.05463	4.1
81.07039	4.5
83.04971	1.0
83.12761	0.4
84.07026	0.5
86.09691	46.9
91.05467	4.4
93.07015	5.8
95.04952	1.6
95.08569	2.6
97.06484	0.6
98.98450	4.6
104.10723	3.1
105.07021	4.9
107.04926	0.8
107.08585	3.7
109.06506	0.8
109.10157	0.9
109.12829	0.4
112.72282	0.4
119.08547	2.2
121.06464	0.4
121.10112	2.0
124.99981	33.5
129.06984	0.5
131.08525	1.1
133.10112	1.8
143.01001	0.5
143.08534	0.8
145.10126	1.7
147.07840	0.5
155.08537	0.5
157.10077	0.9
159.11682	0.7
173.13109	0.4
184.07306	100.0
186.09602	0.4
197.85875	0.5
202.47424	0.4
722.45734	10.4
752.14166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52013	1.7
53.03933	2.4
55.05502	28.4
57.03431	16.5
57.07067	3.8
65.03928	2.4
65.07428	1.9
67.05139	4.2
67.05490	92.5
69.07050	19.5
71.08604	2.1
73.06541	2.1
73.82535	1.8
78.13932	1.8
79.05472	91.7
81.03407	3.6
81.07037	70.8
81.50517	2.0
83.04962	10.7
83.08613	4.4
91.00124	2.2
91.05459	62.7
93.07018	83.7
95.04945	25.5
95.08588	56.3
97.06528	3.9
97.10217	2.4
105.04504	3.2
105.07013	39.8
107.04921	3.1
107.08568	31.6
109.06484	4.1
109.10132	22.4
117.07009	11.7
119.08553	32.8
121.10112	17.5
129.06993	14.3
131.08557	9.0
133.10121	13.0
135.11684	10.3
143.08572	5.2
145.10123	13.1
147.11641	21.9
149.13235	2.6
157.10030	2.4
161.13239	10.8
171.11710	12.5
207.13809	10.6
261.22055	3.9
281.17505	25.8
304.03253	1.9
313.27655	2.7
335.25803	35.5
428.23196	2.2
541.38763	100.0
589.86298	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	722.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.1
55.01861	6.6
55.05503	18.5
57.03172	0.8
57.03429	12.8
57.07059	0.5
59.04988	0.6
61.02937	0.7
65.03922	0.8
67.05491	17.2
69.03414	3.2
69.07063	4.0
71.01310	0.5
71.04977	3.3
74.28467	0.6
79.05474	18.8
81.03398	53.4
81.07042	20.5
83.01324	5.7
83.04962	10.2
83.08599	16.9
85.02901	3.6
85.06539	0.7
91.05450	16.7
92.08699	1.2
93.07016	20.2
93.07567	1.1
95.04945	18.4
95.08588	8.4
97.02888	3.2
97.06497	4.2
97.10148	5.7
99.04426	1.3
99.08054	0.6
103.05451	0.8
103.57071	0.6
105.07008	14.9
107.04938	10.4
107.08570	12.7
109.02876	1.1
109.06506	6.3
109.10159	3.4
111.04432	3.3
111.08070	4.3
117.06977	7.3
119.04914	1.0
119.08550	11.3
121.02866	0.6
121.06479	5.0
121.10129	6.0
123.04401	0.7
123.08055	5.8
125.09589	6.3
128.06245	0.9
129.07004	7.4
131.04950	1.0
131.08531	8.3
133.06474	2.9
133.10089	4.6
135.04362	0.6
135.08038	2.6
135.11693	5.0
137.06009	0.6
137.09584	2.1
142.07828	1.0
143.08588	1.0
145.06471	2.7
145.10097	9.9
147.04489	0.7
147.08064	3.7
147.11658	5.7
149.09637	3.3
153.09126	0.7
153.12769	2.4
155.08566	2.3
157.06516	1.0
157.10139	5.3
159.08063	1.0
159.11720	0.7
161.05978	4.4
161.09612	0.8
163.11125	13.8
165.12691	0.9
169.10089	0.6
171.08018	0.9
173.09581	3.2
175.11110	4.6
181.12251	2.4
187.11168	0.6
189.09088	0.8
189.11137	1.0
191.10637	2.7
193.12209	12.7
195.11707	0.6
203.14307	0.9
205.12218	0.8
209.09886	0.7
209.11725	3.3
211.11314	0.8
211.13269	2.1
213.12653	1.1
227.12753	1.0
231.13852	1.1
235.13248	0.6
243.13744	1.2
249.14824	1.3
259.13440	0.6
265.14075	0.7
267.15848	23.8
269.15289	0.6
271.13354	1.1
273.14722	1.3
283.15320	15.0
289.14325	4.8
303.15851	0.7
306.22043	0.6
337.21436	0.9
347.20032	0.9
355.22672	2.2
365.20969	4.2
383.22104	13.0
388.46689	0.6
393.91208	0.6
401.23096	6.9
419.24179	1.1
431.24185	0.7
439.24854	1.0
457.25739	21.6
475.26813	100.0
476.27048	1.0
493.27966	8.9
616.75220	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	721.4153
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	12.7
55.01670	1.4
55.01866	25.7
55.05502	37.3
57.03434	14.5
59.46973	1.5
64.56837	1.4
67.05488	64.5
67.12855	1.6
68.51898	1.5
68.64193	1.8
69.03419	18.2
69.07054	33.1
71.04980	12.4
73.02878	1.9
79.05476	59.6
81.02930	3.5
81.03398	99.3
81.07033	71.3
83.04959	26.6
83.08591	20.6
85.02876	14.1
91.05457	78.3
93.06470	1.7
93.07018	48.3
95.01300	11.9
95.04949	33.2
95.08583	43.5
97.02868	20.5
97.06506	36.8
97.10137	2.9
99.04389	2.2
99.08084	2.3
103.05448	2.4
105.07013	100.0
107.04946	30.5
107.08574	24.2
109.02859	10.8
109.06493	12.1
109.10167	14.9
111.04433	7.8
111.08055	8.4
115.05457	4.1
117.06970	18.1
118.05669	1.8
118.50897	1.8
119.08557	60.3
121.06489	7.6
121.10123	17.7
123.04397	3.0
123.08047	7.0
123.11637	1.9
127.03904	6.9
128.06180	1.8
129.06979	18.8
130.07671	1.9
131.08548	35.6
133.06491	3.6
133.10097	41.4
135.07999	8.8
135.11649	10.4
141.06952	2.5
142.07779	2.7
143.08531	8.1
145.06497	4.0
145.10086	19.4
147.08008	4.2
147.11684	25.4
149.09586	12.5
149.13242	3.1
155.08533	2.2
157.10118	14.0
159.07996	2.5
159.11665	14.0
161.13240	2.2
163.11176	9.0
165.09013	2.4
165.12810	2.0
169.10083	3.3
171.11719	1.7
173.13208	3.2
175.11171	11.6
179.14265	11.0
193.12219	26.9
211.13245	24.8
267.15823	29.9
275.20010	58.8
285.16843	9.9
293.21149	3.2
349.23727	32.0
355.16989	2.0
411.19931	2.3
429.21136	34.9
495.78857	1.8
508.22400	2.0
541.35175	69.0
559.36224	22.4
617.41748	2.1
685.39435	2.9
702.28290	1.9
703.40424	61.1
721.37341	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	721.415
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	11.2
55.01860	20.8
55.05502	60.7
57.03432	18.9
59.04964	2.3
60.11680	2.0
65.03926	2.5
67.05489	62.0
67.25029	2.1
69.03414	27.4
69.07048	28.1
71.04974	14.7
73.02889	2.5
77.81789	1.9
79.05049	3.9
79.05468	61.1
81.02933	3.7
81.03395	100.0
81.07031	70.8
83.04958	39.6
83.08600	50.8
83.97297	1.9
84.03815	2.0
85.02877	29.6
90.49832	1.9
91.05459	68.0
93.07023	59.8
95.04941	81.2
95.08590	32.1
96.08903	2.4
96.25933	1.9
97.02877	17.5
97.06493	12.4
97.09604	2.1
97.10120	19.4
99.04413	13.5
100.89305	2.1
105.04419	2.0
105.07004	56.1
107.04942	24.9
107.08559	51.4
109.02879	16.4
109.06500	19.1
109.10141	15.4
111.04420	28.2
111.08037	16.2
117.06964	20.3
119.08554	40.6
121.06479	20.0
121.10132	26.7
123.08040	9.0
125.09616	14.6
127.03873	11.5
129.06949	16.1
131.04880	2.6
131.08536	27.4
133.06464	9.4
133.10072	23.7
135.07999	9.4
135.11632	8.3
137.05997	2.2
137.09500	2.9
141.06996	2.8
143.08540	5.3
145.06461	9.3
145.10100	32.8
147.08023	10.8
147.11658	17.8
149.05974	2.4
149.09583	29.8
153.12701	4.3
155.08531	4.6
157.10062	15.5
159.08058	3.9
159.11653	10.6
161.09671	2.9
161.13153	3.1
163.11145	28.7
167.14375	2.1
169.10069	9.5
171.11659	4.7
173.09445	3.8
173.13211	5.2
175.11169	9.6
181.12163	9.7
185.09669	2.3
187.11089	4.8
187.82991	2.2
187.86580	2.5
189.11246	3.6
193.12213	32.7
197.09599	2.6
205.12236	4.3
211.13231	23.7
223.13303	14.8
225.33089	2.5
227.12796	4.3
267.15829	9.6
275.19894	25.1
285.16849	8.5
293.20966	20.0
329.30280	2.2
349.23813	16.4
367.24661	7.9
383.22034	3.5
396.77850	2.3
401.23306	2.5
411.20078	8.4
421.09268	3.4
433.25861	5.2
541.35303	9.7
559.35889	23.1
577.37225	18.5
577.44751	2.7
596.10413	2.6
667.37781	4.2
685.37964	4.2
703.40271	19.1
721.41345	41.9
721.67847	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	721.4154
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.9
55.01857	8.2
55.05500	31.0
57.03430	13.3
57.05903	1.4
57.07056	1.7
61.02896	1.6
65.03926	2.7
67.05145	2.2
67.05492	50.6
68.05853	2.1
69.03420	12.9
69.07057	18.7
71.04974	8.6
79.05473	56.6
80.05775	1.6
81.03400	49.9
81.07033	100.0
83.04964	20.2
83.08592	18.4
85.02891	11.8
85.06509	1.7
90.56692	1.4
91.05453	50.2
93.07017	37.9
95.04945	25.9
95.08585	27.2
97.02876	10.9
97.06496	11.0
97.10114	4.0
99.04430	2.8
99.08070	2.0
105.07004	33.1
107.04926	14.8
107.08567	27.4
109.00126	1.8
109.02869	7.8
109.06508	25.1
109.10145	6.8
110.93349	1.7
111.04409	4.0
111.08075	10.9
113.05935	2.1
115.05499	2.2
117.06985	15.4
119.08568	38.9
121.06474	7.6
121.10121	17.7
123.08041	2.8
123.11655	3.2
125.09639	2.1
127.03896	8.3
128.06239	1.7
129.07002	12.0
131.08519	20.7
133.06482	4.0
133.10097	15.8
135.08005	3.2
135.11682	9.5
137.09656	1.9
142.07851	2.4
143.08571	2.7
145.10150	14.8
147.08037	3.8
147.11639	18.3
149.09589	9.7
149.13185	2.4
153.12677	2.3
155.08495	3.3
157.10065	11.9
159.11687	7.7
161.09645	3.2
161.13074	1.9
163.11118	3.0
169.10077	2.2
175.11171	8.2
183.11736	2.2
187.11113	1.9
193.12231	12.7
211.13199	14.0
227.12724	3.2
229.19528	2.6
267.15863	9.5
269.17474	7.2
275.19995	26.4
285.16928	3.1
299.90662	1.8
349.23764	15.2
429.21185	7.9
477.28296	3.7
541.35211	23.4
559.36029	12.1
577.36829	3.2
622.32483	6.7
703.40454	21.7
721.41217	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	721.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
54.28500	0.8
55.01859	0.8
55.05497	0.9
57.03428	14.2
59.04972	0.7
68.99773	3.0
69.03407	3.1
71.04974	60.5
73.02923	0.8
75.04444	1.6
81.03362	1.1
83.04980	0.7
85.02887	61.3
87.04439	0.8
90.63386	0.7
95.04956	0.9
107.04931	1.2
109.02869	1.6
111.00777	1.5
111.04417	4.9
121.02839	22.5
123.04396	15.9
127.03886	4.3
129.05452	7.4
135.04391	12.4
137.02296	1.3
139.03880	4.1
140.74127	0.7
145.02777	0.8
145.06447	0.8
147.04395	3.1
151.03871	3.4
153.01791	5.6
155.04858	0.7
161.02393	1.0
163.03870	16.2
165.01817	3.0
167.03372	0.9
173.05940	3.0
183.02867	1.2
183.04347	1.8
187.03853	3.0
191.03362	1.5
193.05064	0.9
195.02843	4.1
201.05475	4.5
203.03343	3.5
207.02869	0.8
215.03377	7.8
215.05249	0.8
219.02841	1.1
219.06537	1.0
223.51819	0.7
227.03369	5.7
229.01328	1.8
229.04868	8.3
243.06453	1.0
245.04436	3.8
247.05951	19.6
253.05051	1.0
255.32729	0.8
257.04352	7.9
271.02328	17.9
271.05957	4.0
281.06644	1.1
283.02417	1.6
283.05911	1.6
285.03879	53.0
286.04642	3.2
287.05417	42.8
289.03403	37.4
289.06943	4.9
297.04022	2.2
299.05365	15.2
299.08414	0.8
300.06277	3.5
301.03293	1.1
301.06708	0.8
303.04944	3.6
311.05362	1.6
313.07083	1.5
325.07004	0.8
327.04993	1.3
329.02600	1.0
329.06497	25.4
405.05698	2.7
407.07251	4.2
421.08713	1.2
423.07147	1.8
425.50595	0.8
435.07294	5.7
435.12680	1.2
447.06802	3.6
449.08707	1.3
557.10352	1.1
575.11743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87938	3.5
54.81976	3.0
55.05504	13.3
57.03423	6.1
57.07064	29.6
61.54578	3.0
67.05490	17.7
69.07050	7.0
70.75697	3.2
71.08609	17.7
79.05465	7.2
81.03397	51.0
81.07046	26.0
83.04953	14.8
83.08586	19.8
85.02888	16.0
85.10139	6.8
91.05457	15.2
93.07024	7.4
95.04938	15.7
95.08607	26.9
97.10140	4.2
105.06987	15.2
109.10146	12.6
111.08092	6.0
119.08561	7.6
131.08472	6.0
147.11642	7.6
175.11183	7.7
184.07338	8.0
184.67435	3.2
193.12166	25.3
211.13263	28.2
220.16264	3.5
233.21899	4.1
263.19424	3.6
267.15903	5.5
285.16879	19.9
289.45206	3.5
299.72672	3.4
313.27396	41.0
398.28897	4.0
505.38425	6.5
523.39728	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21061	0.6
55.05518	0.8
60.08150	8.6
62.60022	0.6
63.82735	0.5
67.05480	0.7
67.32511	0.5
70.98198	0.5
71.07344	3.7
71.93616	0.5
76.12908	0.6
79.05479	0.9
81.07043	1.2
86.09689	48.5
91.05475	0.8
93.07026	1.0
95.04950	0.9
95.08544	0.6
98.98451	5.6
104.10730	2.8
105.07005	2.2
107.08578	0.7
116.99509	0.7
119.08541	0.8
121.10060	0.6
124.99979	35.1
133.10091	0.8
169.70525	0.6
178.93939	0.6
184.07301	100.0
193.93379	0.6
294.87433	0.6
296.06674	0.6
406.88483	0.6
440.28906	0.7
484.58859	0.6
720.44385	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	720.444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34616	0.5
53.03931	3.0
54.23971	0.7
55.01848	1.3
55.05506	9.0
57.03411	1.2
57.07042	0.9
58.28679	0.7
60.08138	0.7
67.05149	1.1
67.05490	30.9
69.03380	0.9
69.07053	7.4
79.05470	14.4
81.03396	40.1
81.07034	31.0
83.04958	3.0
83.08591	9.5
86.09671	4.0
90.96815	0.7
91.05467	13.3
93.07022	12.8
95.04944	9.9
95.08585	18.1
97.02847	1.1
97.06564	2.0
97.10163	1.3
98.98438	0.9
105.07002	11.2
107.04934	3.2
107.08579	7.9
109.06473	1.0
109.10137	6.7
111.08086	3.0
119.08562	10.0
121.06466	1.3
121.10099	7.7
123.11670	1.4
124.99967	1.6
128.06113	0.8
129.06976	6.2
131.08542	4.2
133.06425	0.8
133.10086	4.2
135.11647	0.8
137.09625	1.5
137.13235	0.9
142.07785	1.3
143.87511	0.8
145.10147	1.3
147.08096	0.9
147.11641	6.0
149.09572	1.7
149.13219	0.9
157.10110	6.2
175.11139	3.7
184.07295	7.3
193.12238	5.6
201.36458	0.7
236.16339	5.2
247.25183	0.8
282.80481	0.8
306.27927	1.3
529.38751	100.0
599.16620	0.7
604.95404	0.8
670.40460	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.3
55.05507	9.3
57.03422	1.9
57.07062	1.9
60.08149	1.2
64.32885	1.1
67.05136	1.9
67.05491	39.5
69.03407	1.2
69.07059	9.9
70.07964	0.9
71.04964	1.0
76.74216	1.0
79.05477	15.8
81.03399	42.3
81.07037	32.6
81.07481	2.0
83.04958	2.0
83.08607	9.4
84.96090	0.9
86.09690	18.0
91.05471	14.9
93.07013	14.4
95.04955	14.2
95.08584	24.3
97.06525	1.2
97.10139	1.4
98.98421	1.4
104.10744	1.2
105.07011	13.6
106.75956	0.9
107.04931	2.1
107.08580	7.9
109.06488	1.8
109.10134	9.2
111.08032	2.1
117.06997	1.4
119.08548	13.1
120.96632	1.0
121.06536	1.2
121.10122	5.1
123.11679	1.7
124.99983	9.4
125.09573	1.1
129.06990	6.6
131.08557	5.3
133.06461	1.2
133.10095	4.2
135.08006	1.1
135.11627	1.3
142.07733	1.6
145.10129	1.8
147.07986	1.4
147.11708	4.8
149.09584	1.3
155.08553	1.1
157.10110	4.8
172.16383	1.1
175.11130	1.7
184.07310	28.5
187.98877	1.0
193.12231	5.7
236.16440	1.5
260.64621	1.0
296.61557	1.0
306.27902	1.8
529.38806	100.0
720.45685	1.8
726.45361	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.4886
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93502	0.6
53.00288	0.7
53.03931	1.6
55.01853	3.2
55.05503	20.3
57.03427	29.0
57.07067	48.4
59.04976	1.0
61.02912	9.1
62.09595	0.6
64.33479	0.6
65.02644	0.6
65.03909	0.8
67.05492	34.6
69.03414	5.9
69.07051	14.2
71.04977	5.6
71.08249	1.3
71.08613	32.4
73.02882	1.3
79.05468	26.6
81.03398	67.8
81.07037	45.3
83.04964	20.0
83.08603	31.9
85.02884	33.9
85.06518	2.7
85.10167	16.9
86.09682	0.9
87.04430	1.2
89.06002	3.1
91.03925	2.5
91.05453	33.0
93.07018	18.5
95.04940	25.8
95.08584	34.0
97.02862	6.3
97.06487	4.4
97.10146	9.4
99.04433	1.1
99.08053	1.2
99.11694	0.8
99.72961	0.6
102.84523	0.6
103.07543	0.7
105.07008	26.1
107.04938	7.7
107.08568	8.6
109.06475	6.0
109.10139	12.9
111.04424	1.5
111.08047	12.0
111.11680	0.8
113.05981	3.2
115.05392	0.9
117.06968	1.1
119.08553	22.1
121.06471	1.0
121.10134	10.6
123.08043	3.7
123.11642	7.4
127.03903	0.7
128.06131	0.9
129.06976	10.7
131.08533	12.6
133.06439	3.6
133.10098	12.3
135.07919	0.7
135.11644	0.6
137.09570	1.6
137.13179	0.8
142.07745	3.1
145.04883	0.8
145.10078	1.4
147.08002	4.1
147.11665	14.3
149.09601	5.7
151.11150	0.6
157.10085	14.3
161.69203	0.6
163.11142	0.6
165.12714	3.0
172.90385	0.8
175.11131	15.1
184.07315	1.6
193.12187	35.1
211.13249	46.5
239.23706	1.5
253.14299	1.0
257.24728	3.3
267.15833	13.2
285.16891	55.8
313.27295	71.2
390.28235	0.7
396.46686	0.6
505.38614	12.9
523.39819	100.0
524.39954	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	720.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	6.8
55.01856	2.9
55.05500	33.6
57.03415	22.2
61.02898	8.0
65.84399	3.3
67.05488	59.5
67.36363	3.1
69.03403	6.7
69.07040	22.5
71.04961	7.6
78.65537	2.9
79.05474	59.6
81.03393	100.0
81.07030	53.0
83.04958	29.7
83.08601	28.8
85.02879	40.3
85.06514	4.3
86.09664	6.5
91.05451	71.3
93.07020	60.1
95.04934	42.1
95.08603	31.2
97.02847	12.7
97.06484	13.3
97.10134	7.1
105.07005	51.9
107.04917	15.8
107.08564	22.2
109.06499	6.0
109.10118	20.3
111.08060	12.6
117.07018	6.0
119.08543	43.5
121.06467	14.0
121.10107	21.1
123.08010	4.7
129.06944	19.3
131.08522	21.5
133.06418	3.8
133.10085	21.2
135.07982	6.6
135.11696	6.3
137.09578	4.7
143.08542	4.1
145.10054	6.6
147.08008	5.9
147.11662	18.2
149.09589	5.7
157.10094	23.2
159.11626	3.9
163.11107	16.5
175.11102	12.4
175.14738	5.7
184.07248	13.4
185.13173	3.9
193.12221	32.8
195.11475	3.1
211.13239	33.2
221.15314	40.4
221.17242	4.5
239.16301	39.1
267.15842	16.7
285.16830	38.2
295.18961	5.5
313.16605	3.6
313.20016	21.6
342.45047	3.4
375.05573	3.7
487.30231	21.3
491.26361	4.8
505.32086	25.5
523.32819	61.8
720.42035	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	720.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01871	4.1
55.05505	11.2
57.03423	10.0
57.07050	0.6
59.04962	0.8
65.03925	1.1
67.05148	1.0
67.05492	28.3
69.03405	1.1
69.07055	7.0
71.04969	1.2
73.06545	0.7
78.48569	0.6
79.05472	41.3
81.03398	55.2
81.07038	26.0
83.04964	9.5
83.08600	12.0
85.02885	0.9
85.06528	2.7
87.04455	0.6
88.16373	0.6
91.05462	35.2
93.07022	37.0
95.04945	26.8
95.08578	13.9
97.02852	2.3
97.06487	3.3
97.10111	1.2
98.03542	0.6
105.06367	1.1
105.07016	26.2
107.04935	7.1
107.08579	10.9
109.06505	6.0
109.10126	3.9
111.04389	0.9
111.08090	5.8
111.08779	0.6
114.10558	0.5
115.05447	1.2
117.06987	4.7
119.08557	24.1
121.06468	3.0
121.10115	4.9
123.08060	4.4
125.05952	0.7
128.06178	1.4
129.06975	14.5
131.08556	7.8
133.06448	1.5
133.10086	7.7
135.11746	0.6
137.05989	0.9
137.09467	0.6
142.07733	1.1
143.08531	4.5
145.06490	0.8
145.10075	6.6
147.08017	1.4
147.11659	22.4
149.09587	3.0
151.11102	0.6
157.10095	7.4
157.38631	0.7
161.09613	1.4
161.13277	5.1
163.11058	0.9
165.12700	1.1
171.11644	13.6
175.11099	5.0
189.12741	3.6
193.12207	11.3
207.13766	8.4
211.13257	0.9
249.14845	1.2
267.15860	33.2
281.17416	27.5
319.76038	0.9
473.28900	100.0
491.29816	2.8
515.29718	0.8
526.35681	0.7
617.98669	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	720.3798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08175	5.1
53.03929	6.8
53.72591	5.2
55.01858	34.7
55.05501	90.6
55.25451	5.4
55.92800	4.5
57.03428	43.3
59.04970	4.9
61.02913	11.2
65.87359	4.5
67.05491	100.0
69.03403	10.7
69.07052	31.3
71.04971	8.6
73.02873	8.3
78.98249	5.3
79.05470	87.9
81.03400	59.7
81.07047	88.3
83.04964	34.2
83.08595	40.1
85.02897	28.0
86.14278	5.8
91.03931	7.7
91.05472	83.0
92.09329	13.8
93.07026	75.7
95.04955	49.2
95.08582	36.6
97.02876	14.0
97.06494	11.1
97.10145	34.6
100.34570	5.4
105.07034	47.9
107.04926	44.0
107.08582	52.2
109.06516	11.3
109.10150	31.7
111.08042	7.3
111.26691	6.4
116.04688	25.7
117.07008	12.9
119.08554	35.8
121.06459	11.4
121.10149	23.3
123.08047	11.8
125.09601	24.4
129.05415	42.5
129.06972	8.4
131.08571	29.3
133.10127	22.9
135.08081	9.9
143.07043	6.9
145.10101	22.9
147.11696	10.8
157.08647	12.5
159.11716	14.0
161.09566	6.5
163.11148	10.4
185.49594	5.9
189.11217	11.7
192.85042	6.3
199.13274	8.0
209.11691	7.7
223.13239	90.3
227.12657	8.5
267.15829	7.2
270.22144	6.9
283.15356	11.7
287.58224	5.6
297.16885	56.6
301.16431	53.8
403.14453	7.1
451.26389	9.9
489.28659	6.8
523.28870	63.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	719.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	7.8
55.01866	2.9
55.05503	34.6
57.03418	10.2
57.07065	3.3
65.03921	2.8
67.05140	3.4
67.05489	74.6
69.03407	3.0
69.07050	22.8
71.04961	2.2
73.06487	1.6
79.05468	100.0
80.05805	2.7
81.03388	33.4
81.07034	72.4
82.03720	3.2
83.04966	16.4
83.08583	12.8
85.06548	3.2
91.05459	96.6
93.06419	3.3
93.07018	91.2
94.07351	2.3
95.04941	30.2
95.08578	43.0
96.78291	1.5
97.06509	3.8
105.04515	1.8
105.07008	92.1
107.04916	7.8
107.08569	35.9
108.82303	1.9
109.06509	7.9
109.10136	12.2
110.06824	1.6
117.06980	28.8
119.08558	64.4
121.06478	3.6
121.10119	17.2
123.08083	2.0
128.06165	3.1
129.06975	26.0
131.08517	28.9
133.10112	34.7
135.08064	2.6
135.11662	12.0
137.54417	1.6
143.08528	19.1
145.10083	25.1
147.08049	3.5
147.11664	48.9
149.09630	2.7
149.13222	6.9
155.08553	7.4
157.10078	12.1
159.11633	13.8
161.09683	2.5
161.13188	20.5
169.10033	3.2
171.11670	27.0
173.13248	8.8
175.14813	8.7
183.11700	2.5
185.13239	4.3
189.12767	3.3
193.12144	2.7
195.11713	2.5
197.13277	3.3
199.14745	2.6
207.13809	9.2
241.19478	15.8
259.20471	26.9
279.15906	3.9
281.17404	28.1
315.23007	2.6
333.24054	19.9
370.92200	2.1
447.32275	2.8
527.37256	23.7
528.37646	38.7
539.37299	39.0
557.37909	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	718.4732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	16.2
56.55382	2.2
57.03429	21.0
57.06808	3.3
57.07065	51.3
60.34489	2.1
63.04554	2.2
67.05495	26.0
69.07050	18.2
71.08613	31.6
77.77537	2.7
79.05480	34.0
79.60162	2.5
81.07036	38.6
82.33414	2.3
83.04948	2.5
83.08619	19.3
85.10152	15.2
89.06026	10.7
91.05460	5.6
92.08781	15.7
92.09403	4.8
93.07030	47.6
95.04935	3.7
95.08585	62.9
97.02864	3.2
97.10118	4.7
102.52039	2.3
105.07012	10.8
107.04939	11.9
107.08577	39.9
109.10149	11.3
117.06982	5.9
119.08557	14.2
121.06510	4.0
121.10112	14.8
121.74570	2.6
135.11679	63.2
145.10123	40.1
163.11157	74.5
181.12193	12.6
217.97292	2.6
227.12766	67.3
283.15359	78.4
285.24197	2.8
313.27356	92.3
313.30942	5.8
521.38293	100.0
717.54517	24.9
718.54578	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.0
55.01864	7.3
55.05237	0.9
55.05504	22.8
57.03170	1.6
57.03426	24.0
57.07067	41.6
59.04979	1.9
61.02922	10.0
67.05489	17.7
69.03413	1.2
69.07060	10.8
71.04976	1.7
71.08615	28.5
73.02909	1.6
76.57330	1.1
79.05474	17.2
79.46586	0.9
81.03396	9.0
81.07040	27.3
83.01342	11.1
83.04958	14.2
83.08604	20.3
85.02891	13.0
85.06534	1.2
85.10165	13.6
86.09706	1.0
86.89703	0.8
89.06018	1.4
90.33199	1.0
91.03922	2.3
91.05458	9.9
92.08672	1.7
93.06438	0.9
93.07015	25.2
95.04944	7.4
95.08583	23.9
97.02867	6.6
97.06510	4.9
97.10138	5.8
99.04443	1.2
105.07011	10.8
107.04970	6.9
107.08564	13.7
109.06499	5.1
109.10140	9.4
111.04420	1.9
111.08052	1.3
117.06991	6.7
119.08545	10.2
121.06505	1.9
121.10124	8.3
123.08057	8.2
123.11691	1.7
125.05906	0.9
125.09619	1.2
130.07745	1.4
131.08560	3.7
133.10101	1.5
135.08041	1.9
135.11682	11.6
137.13257	1.1
145.10080	13.8
153.12697	1.8
163.11143	23.2
171.90111	0.9
173.09619	2.2
181.12213	3.5
184.07283	1.5
191.10663	1.7
209.11678	5.2
239.23665	2.2
257.24667	1.7
283.15347	100.0
284.15778	1.5
313.27307	79.1
521.38251	59.6
718.53723	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	719.3993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	2.3
53.03924	5.6
54.84391	2.3
55.01849	13.0
55.05493	46.5
55.27747	2.3
57.03434	18.0
59.04974	3.5
63.96594	2.2
65.03905	3.9
67.05488	51.1
69.03408	24.3
69.07048	21.6
71.04951	13.6
73.02872	3.7
79.05467	63.2
81.02930	4.2
81.03391	100.0
81.07030	62.9
83.04952	26.4
83.08595	30.7
85.02880	30.0
91.05453	64.6
93.07025	43.6
95.04940	45.1
95.08579	27.5
97.02861	25.0
97.06478	13.6
97.10142	11.9
99.04455	3.3
105.07011	58.4
107.04950	29.2
107.08596	26.0
109.02815	11.7
109.06499	19.0
109.10120	14.5
111.04398	4.3
111.08036	10.0
115.05415	3.7
117.06984	31.2
119.04942	2.8
119.08557	39.0
121.06475	16.8
121.10040	17.6
123.08039	10.9
125.09588	13.1
125.99418	2.6
127.03901	9.1
129.06969	18.2
131.04866	5.0
131.08525	18.0
133.06436	10.5
133.10080	16.6
135.08014	12.2
135.11649	5.3
137.05923	10.6
137.09625	5.3
141.06943	4.3
142.07729	4.7
143.08522	12.3
145.06435	3.9
145.10088	23.8
147.04356	15.2
147.08025	14.5
147.11653	19.7
149.09561	12.4
151.07544	3.2
153.12720	3.3
155.08464	4.2
157.06490	2.6
157.10130	20.7
159.08012	9.9
159.11621	4.1
161.09583	23.8
163.11107	11.7
167.08423	3.3
169.10088	4.3
171.11662	3.5
173.09653	4.0
175.11180	18.2
181.01253	3.5
181.10098	3.0
183.08040	3.8
183.11600	4.2
185.09605	2.5
189.11142	5.5
189.12775	3.1
191.03249	3.3
193.12140	27.4
195.11649	4.0
199.11084	3.7
211.11409	3.4
211.13181	24.8
227.12627	4.1
253.05296	2.5
257.04385	42.4
258.04547	2.8
259.05826	3.1
267.15836	4.9
273.18500	27.6
275.05374	3.2
285.16858	10.9
287.05426	4.0
291.19443	11.8
347.22073	14.3
363.19293	3.9
365.23807	2.9
381.20862	5.2
393.09464	20.2
539.33350	12.6
557.34497	33.6
622.87567	3.3
665.35962	13.6
683.37012	17.0
701.39117	25.0
719.40149	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	718.4653
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75785	0.4
52.20351	0.4
52.35482	0.3
52.60754	0.3
56.05029	0.5
58.06578	0.4
60.08150	9.1
67.05460	0.7
69.91276	0.5
71.07352	4.9
79.05474	0.8
81.03375	0.4
81.07015	0.6
86.09688	44.5
98.98433	4.0
104.10714	2.8
117.00811	0.4
124.99976	33.5
143.00949	0.8
158.32188	0.4
184.07298	100.0
203.12141	0.4
635.02814	0.4
717.53314	0.8
718.45575	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	718.4731
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	39.4
57.03422	23.9
57.07060	8.2
60.08147	3.5
60.44852	2.8
61.02890	4.7
67.05489	50.9
69.07047	37.6
69.88752	2.8
70.02616	3.3
71.04984	4.7
71.08626	3.1
79.05476	30.7
81.03385	36.6
81.07033	57.6
83.04943	8.3
83.08601	38.1
85.02879	25.0
86.09699	13.8
91.05460	30.9
93.07013	29.8
95.04958	23.0
95.08585	23.1
97.06485	3.7
97.10153	7.3
105.07014	28.4
107.08580	17.1
109.10152	17.4
111.08061	6.4
119.08572	20.3
121.10119	21.7
124.99973	5.1
129.06978	7.1
131.08534	5.4
133.10103	15.6
135.11682	8.3
145.10115	4.0
147.11682	4.7
147.31116	3.4
157.10081	8.1
163.11226	5.3
175.11209	6.8
184.07300	28.6
193.12225	21.8
211.13263	21.0
267.15869	5.9
285.16956	23.5
311.25742	70.2
313.80762	4.6
498.00592	4.2
503.37250	18.6
521.38287	100.0
555.40112	3.7
562.91418	3.7
574.22461	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	718.4277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57779	0.7
53.03929	1.4
55.01863	1.4
55.05502	7.2
55.05726	0.7
57.03431	0.9
67.05488	23.5
69.03414	1.2
69.07056	6.6
70.07640	1.0
71.04977	2.0
77.42249	0.8
79.05473	27.6
81.03397	46.3
81.07039	20.9
83.04953	1.8
83.08582	8.6
91.05457	16.5
93.07028	27.1
95.04943	16.5
95.08582	14.1
105.07009	14.2
107.04915	3.1
107.08558	8.7
109.06525	1.7
109.10145	5.9
111.08086	1.1
117.06969	2.0
119.08545	12.5
121.06467	1.8
121.10111	8.6
123.08042	1.0
129.06975	4.4
131.08542	6.8
133.10114	4.6
135.11653	4.1
142.07776	1.2
145.10132	3.4
147.07997	1.9
147.11649	5.5
149.09615	1.4
157.10063	6.3
159.11687	1.0
175.11209	3.4
181.57651	1.0
184.07439	2.1
191.93369	0.9
193.12259	3.9
236.16571	1.3
267.16055	1.2
304.26257	2.2
337.58762	1.0
527.37201	100.0
587.75031	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	718.4366
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	1.5
53.64079	1.3
54.12847	1.4
55.01863	4.1
55.05504	30.3
57.03430	13.4
57.64006	1.6
57.81663	1.4
59.04994	3.5
59.96941	1.5
61.02914	3.7
67.05490	100.0
69.03415	3.6
69.07062	12.5
71.04977	7.7
73.02935	1.6
74.24658	1.4
77.59689	1.6
78.33940	1.5
79.05474	23.8
81.03405	10.1
81.07034	35.3
83.04966	3.5
83.08606	23.4
85.02875	2.1
85.06543	1.9
91.05437	19.3
91.55840	2.0
93.07027	28.0
93.78665	1.6
95.04947	45.8
95.08585	17.4
97.02863	2.1
97.06532	6.9
97.10149	6.7
99.04439	3.3
105.07015	22.3
107.04954	8.5
107.08583	24.7
109.06516	3.9
109.10139	74.8
111.04419	7.2
111.08087	8.3
117.07005	7.7
119.08543	20.9
121.06503	2.2
121.10138	10.0
122.94590	1.7
123.08043	1.8
125.09605	2.5
131.08562	12.7
133.10164	11.1
134.67339	1.8
135.08006	3.0
135.11694	7.7
137.09622	3.3
143.08519	2.8
145.10124	12.8
147.08044	2.6
147.11687	6.8
149.09599	21.6
153.12846	1.9
155.08504	2.3
157.10182	1.9
159.11697	8.7
163.11104	17.5
165.12704	2.3
173.11688	17.0
175.11206	2.0
177.55417	1.7
189.11311	1.8
205.12192	2.5
223.13260	16.6
229.14297	52.6
257.18942	3.4
264.22150	1.7
275.19949	24.2
293.20984	17.6
349.23724	9.2
367.24799	17.4
423.27274	2.7
503.33624	19.2
521.27393	3.1
521.34674	61.7
523.69836	2.0
531.28796	1.9
539.35480	2.6
577.37531	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	716.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
52.98075	1.7
53.03929	2.2
55.01855	3.0
55.05506	14.4
57.03420	7.5
57.07062	2.8
59.04992	19.7
64.33717	1.6
65.03913	2.6
67.05139	3.8
67.05489	100.0
69.03400	3.3
69.07037	8.3
71.04984	7.3
79.05468	20.6
81.03399	90.0
81.07039	22.3
83.04973	3.4
83.08597	24.2
85.02879	3.3
85.06525	2.9
91.05450	28.3
93.07001	14.6
95.04944	29.4
95.08595	10.7
97.02866	2.3
97.06520	1.7
97.10117	2.2
98.98434	2.7
99.04454	2.6
105.07008	18.5
107.04964	7.9
107.08587	8.4
109.06513	4.1
109.10135	70.1
111.08057	10.3
115.05376	2.4
119.08549	20.1
121.06435	2.7
121.10121	10.3
121.94299	1.8
123.08076	3.6
129.07014	13.1
131.08592	6.6
133.06459	3.6
133.10110	7.5
137.05856	1.8
137.09618	3.7
145.10124	3.2
146.32695	2.0
147.07997	2.3
147.11647	10.1
149.09601	7.8
157.10110	10.8
163.11098	3.1
173.04112	1.8
173.11713	15.8
175.11177	11.3
193.12169	26.2
198.14914	3.7
227.12859	2.8
229.14415	2.3
236.16505	4.0
239.43411	1.7
267.15900	4.4
269.80881	1.9
421.20444	3.8
421.25790	86.2
421.31366	3.3
422.25974	2.3
505.58463	1.8
525.30469	70.9
544.26666	7.4
562.27362	8.4
616.28278	8.2
666.32178	9.7
716.34863	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	716.4939
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	17.5
56.74640	3.6
57.03412	8.2
57.07070	36.3
60.05790	3.7
67.05499	45.6
69.07039	21.1
71.08607	27.2
79.05477	65.3
81.03354	3.9
81.07040	50.3
83.08595	6.7
85.10165	19.3
91.05460	34.3
93.07018	54.0
95.04950	19.1
95.08579	33.4
97.10132	5.9
105.07003	40.7
107.08562	21.1
109.06486	5.0
109.10130	5.4
117.07004	4.8
119.08545	23.9
121.10154	4.9
128.77029	4.0
129.06989	18.1
131.08453	4.2
133.10107	6.4
143.08534	5.1
143.46036	4.4
145.10101	9.4
147.11661	31.0
171.11642	18.5
189.12840	5.9
215.36929	4.2
262.61566	4.6
272.10165	4.3
281.17444	55.5
303.20636	4.2
313.27237	43.0
329.23843	4.1
335.80838	4.3
519.40234	100.0
549.81726	4.9
715.51782	5.6
716.52222	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	717.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63505	4.6
53.03917	5.2
53.28231	5.0
55.01862	5.6
55.05490	35.0
57.03434	10.4
64.01315	5.4
67.05488	74.9
69.03412	13.0
69.07044	27.7
71.74294	4.8
79.05464	93.5
81.03416	43.8
81.07035	64.5
83.04961	24.0
83.08603	11.7
91.05460	91.8
93.07011	70.0
95.04946	36.1
95.08557	54.6
97.02890	9.5
99.04384	7.2
105.07014	100.0
107.08566	39.4
109.10110	10.9
117.06964	27.2
119.08575	46.9
121.06451	9.1
121.10131	12.1
123.08004	7.9
129.06944	13.1
131.08539	37.4
133.10126	24.5
135.07925	5.2
143.08522	24.6
145.10077	12.8
147.11668	32.9
159.11688	22.0
161.13272	7.1
171.11636	24.2
184.07272	12.2
185.13286	6.1
195.11673	6.7
223.99103	5.6
246.67422	6.2
257.18854	6.1
275.20084	8.2
281.17407	24.3
437.85110	7.6
475.30511	25.5
555.36450	21.2
635.08722	6.3
717.43658	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	714.5505
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
53.57714	0.2
55.01842	0.4
55.05502	9.9
56.05028	4.8
57.03421	0.5
57.06866	0.3
57.07067	4.2
58.02940	0.3
58.06572	0.4
60.04500	2.0
65.03924	0.5
67.05489	13.5
67.05847	0.5
67.79353	0.4
68.04996	0.5
69.03399	2.0
69.07050	11.4
70.06585	2.2
71.08598	1.6
79.05472	12.9
80.05000	3.9
81.03409	0.6
81.05774	1.7
81.07037	11.7
82.06563	10.7
83.08600	6.2
84.08118	0.5
85.02879	3.0
85.10168	0.5
91.05457	11.1
93.07024	10.8
94.06541	21.6
95.04945	1.8
95.07324	10.6
95.08585	8.7
96.08105	7.6
97.02872	0.7
97.06485	0.3
97.10149	3.5
105.04517	0.3
105.07016	7.5
107.07330	0.7
107.08564	6.4
108.08111	4.8
109.06453	0.3
109.10136	4.0
111.11726	0.3
111.51697	0.3
119.08547	7.0
121.08839	0.5
121.09168	0.3
121.10106	7.2
122.09634	3.6
122.41209	0.3
123.11663	1.2
124.11179	0.4
133.10110	5.1
134.09592	0.7
135.10417	1.5
135.11649	4.0
136.11168	1.5
137.13173	0.4
147.11658	0.8
149.13226	0.7
161.13275	0.4
163.14726	0.4
193.19495	0.6
194.13928	0.3
219.21001	0.7
233.22621	2.5
234.22090	0.5
245.22627	3.4
250.25261	8.3
254.24724	0.5
260.23599	0.4
260.78500	0.3
262.25226	100.0
263.25589	1.4
264.26596	0.3
272.25708	3.2
280.26254	7.1
421.90112	0.4
504.47690	4.6
516.47650	27.1
517.47668	0.3
518.49371	4.5
534.40692	0.6
534.48645	17.6
535.49390	0.3
696.53992	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	715.3508
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.1
57.03420	2.4
57.16719	0.9
61.02910	4.4
67.05479	1.8
69.03391	2.3
69.07076	1.1
70.06580	1.0
73.02901	3.9
75.83460	1.0
79.05476	5.5
81.03407	6.6
81.07030	2.2
83.04964	1.7
83.08606	1.5
85.02886	8.4
89.39404	1.0
91.03959	1.7
91.05470	6.3
93.07030	2.4
93.20930	1.2
95.04954	4.1
95.08610	1.7
97.02874	6.0
99.04462	1.0
101.02399	1.1
105.07018	4.5
105.45686	1.0
107.08578	2.2
109.10165	1.1
118.58646	1.1
119.08581	5.3
121.10142	4.2
127.03927	1.4
129.06976	1.3
131.08508	1.1
133.10114	1.2
145.52682	1.1
147.11684	1.7
149.09645	1.2
165.05450	19.5
175.11104	1.4
190.28035	0.9
190.48958	1.0
193.12170	2.3
208.48723	0.9
243.08324	1.1
330.76404	1.1
407.41138	1.1
412.21155	1.4
440.62262	1.1
443.18918	4.4
469.20319	11.1
487.21365	5.0
671.32581	2.1
697.34009	1.5
715.34943	100.0
716.35211	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	713.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01836	0.7
55.05501	3.3
56.54535	0.6
57.03429	4.0
61.02913	7.0
64.24043	0.6
67.05497	7.4
69.03417	3.9
69.07061	2.8
71.04984	3.2
73.02898	4.2
79.05466	5.8
81.03395	6.3
81.07038	12.0
83.05001	1.2
83.08613	0.9
85.02892	5.9
85.06580	0.7
87.04489	1.1
91.03950	3.7
91.05460	5.1
93.07030	7.7
95.04941	1.1
95.08593	1.6
97.02882	7.1
97.06531	1.1
98.15437	0.7
101.02362	1.7
105.07025	3.8
107.08592	3.0
111.08110	0.9
113.05045	0.7
119.08625	0.9
121.10151	3.2
131.08598	3.2
133.10139	1.6
135.11745	1.2
145.71951	0.7
147.11700	2.9
149.09564	2.5
157.10153	1.1
159.11716	1.0
193.12265	1.7
235.13136	0.9
241.21207	0.7
243.08488	3.2
267.15863	1.2
269.17444	0.7
283.14996	5.3
339.17834	1.2
394.86810	0.8
429.58423	0.9
453.20883	13.6
501.22995	15.0
552.06488	0.9
713.37109	100.0
714.37256	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	714.466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69015	1.2
55.05489	3.4
57.03426	2.5
57.07071	13.4
60.08147	9.8
61.02910	5.9
62.77195	1.2
67.05484	13.1
69.07059	3.3
71.07357	3.6
71.08607	9.8
73.02876	1.5
77.48695	1.2
78.51194	1.2
79.05459	3.6
81.07014	13.1
83.08579	2.7
85.02898	1.6
85.10166	2.3
86.09688	41.6
91.05429	2.3
93.07019	6.4
95.08562	12.1
97.06590	1.4
97.10143	1.7
98.98434	3.6
105.07027	2.5
107.08580	2.0
109.10139	5.9
119.08589	2.2
121.10137	2.5
124.99963	29.6
140.81721	1.6
151.64256	1.5
181.92223	1.5
184.07294	100.0
184.08969	3.4
189.51369	1.5
349.39008	1.6
355.31891	20.7
373.33057	6.9
548.20752	1.6
589.96558	2.0
714.47205	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	714.5507
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.5
53.03924	0.8
55.01859	0.4
55.05499	8.5
56.05029	5.4
57.07065	4.1
58.02937	0.4
58.06572	0.5
60.04503	2.1
65.03922	0.6
67.05489	17.0
68.05001	1.3
68.32308	0.3
69.03399	1.5
69.07053	9.4
70.06581	2.8
71.08604	1.5
71.46661	0.3
79.05470	13.9
80.04994	3.5
81.03387	0.6
81.05769	1.6
81.07037	13.7
82.06559	9.6
83.08602	6.7
85.02871	2.5
85.10163	0.7
85.64818	0.3
86.06044	0.3
91.04877	0.5
91.05454	11.8
93.05767	0.4
93.07018	13.1
94.06543	24.5
95.04934	2.3
95.07325	12.2
95.08579	11.0
96.08114	7.8
97.02872	1.6
97.06487	0.4
97.10140	3.5
105.07000	9.1
107.07302	0.5
107.08567	7.3
108.08088	4.7
109.10146	3.5
111.07970	0.3
111.11699	0.4
119.08539	6.7
120.08109	0.4
121.10112	5.5
122.09637	3.8
123.11663	1.5
124.11166	0.6
130.96753	0.4
133.10097	3.8
134.09651	0.5
135.10545	0.6
135.11662	3.2
136.11142	1.3
147.11604	1.1
149.13264	0.8
151.36508	0.3
161.13239	0.6
193.19510	0.4
211.74554	0.3
217.19238	0.3
217.88660	0.4
219.21130	0.4
233.22577	1.8
234.22107	0.5
245.22514	3.9
250.25230	8.4
254.24646	0.6
262.25226	100.0
263.25635	1.5
272.25769	3.4
280.26245	7.2
499.87381	0.4
504.47650	4.7
516.47681	26.0
517.47827	0.7
518.49255	4.4
534.48688	18.7
696.53888	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	713.3121
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68847	0.3
55.05503	0.4
56.17207	0.4
57.03428	0.7
61.02928	0.4
64.48283	0.3
67.05503	3.0
69.03435	0.6
69.07055	0.5
71.04954	0.5
79.05467	2.8
81.03401	2.5
81.07046	2.2
83.04962	0.4
83.08594	0.7
85.02885	1.4
86.09673	1.4
91.05461	2.1
93.07025	1.8
95.04948	1.0
95.08589	0.9
97.02866	0.7
103.75905	0.4
105.07027	0.9
106.34765	0.4
107.04947	0.6
107.08593	0.8
109.06540	0.5
109.10148	2.2
111.13570	0.5
119.08546	0.8
121.10098	0.4
125.00075	0.4
131.08557	0.7
135.98940	0.4
147.11671	0.7
157.10168	0.5
164.69794	0.4
184.07339	0.8
193.12212	0.6
210.64316	0.4
211.63792	0.4
245.60286	0.4
267.09021	0.9
285.10056	1.9
407.27017	0.5
421.39200	0.5
436.23468	0.4
447.27356	2.0
448.27936	1.0
485.16867	0.6
524.10425	0.4
617.56427	0.4
713.31378	100.0
714.31433	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	713.335
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49473	1.4
55.01855	2.0
55.05497	5.4
57.03434	3.3
57.34931	1.3
61.02920	3.3
62.41038	1.3
65.48946	1.3
67.05493	14.2
69.03422	2.8
69.07056	2.9
71.04981	2.4
72.87469	1.2
73.02904	3.6
79.05466	10.6
81.03417	8.2
81.07053	8.2
83.04948	5.2
83.08583	1.7
83.54409	1.5
85.02921	7.0
91.03953	5.2
91.05460	10.9
93.07017	10.4
95.04963	3.6
95.08625	2.1
97.02872	3.3
97.06542	2.3
101.02354	1.7
105.05312	1.5
105.07035	7.1
107.08611	2.5
109.10168	5.6
111.08131	1.7
119.08547	2.7
121.10181	1.6
129.06967	2.0
131.08580	1.8
133.10139	3.3
163.11234	2.4
185.04285	2.6
190.13341	1.4
191.41039	1.6
193.12331	1.9
201.03706	1.8
211.13373	1.6
243.08514	7.0
267.15942	2.2
269.17371	1.5
277.14233	3.0
279.86163	1.7
286.47983	1.5
301.08975	13.6
315.10358	3.5
348.62997	1.6
349.54398	1.6
373.11163	2.7
383.16696	3.3
385.18466	7.2
425.49130	1.7
439.19775	2.5
443.19031	2.5
469.20361	13.5
485.19910	2.8
497.30634	2.2
541.22485	3.4
583.30713	2.8
611.30414	2.7
667.32874	7.4
713.33136	100.0
714.33545	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	712.5353
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	1.1
53.03942	1.7
53.29473	0.9
55.05510	10.5
56.05029	4.1
57.07055	5.6
58.71175	1.1
65.03896	1.2
67.05502	16.1
69.03409	1.4
69.07056	10.5
71.08619	2.0
71.54517	1.1
79.05474	15.9
80.05002	2.6
81.07039	23.8
82.06567	9.0
83.08590	4.7
85.02880	4.4
91.05461	26.2
93.07022	15.4
94.06548	35.0
95.04997	1.8
95.07350	10.5
95.08591	15.2
96.08116	4.3
97.05512	1.0
97.10130	4.3
101.50394	1.0
103.05400	1.1
104.02212	1.0
105.07000	14.6
106.04545	1.1
106.06539	7.7
107.07321	1.0
107.08570	12.3
108.08095	15.5
109.10138	5.1
115.05440	1.4
117.06999	10.6
119.08560	18.6
120.08119	4.3
121.10133	6.7
122.09637	7.2
131.08548	14.5
132.08093	5.7
133.08844	5.0
133.10100	10.7
134.09605	11.2
135.11745	1.4
141.12672	1.0
143.86415	1.1
144.65779	1.2
145.10092	7.9
146.09561	3.9
147.10428	4.7
147.11630	2.2
148.11154	5.8
149.13216	2.1
159.11679	4.7
161.13159	2.2
163.14685	1.0
173.13223	1.2
201.16406	1.4
231.21046	6.0
232.20647	1.2
243.20979	8.9
246.21986	1.4
248.23695	13.4
251.25365	1.1
258.22052	1.4
260.23669	100.0
272.25806	1.2
278.24652	8.8
314.54767	1.4
324.54089	1.3
364.51770	1.3
456.70520	1.3
502.45963	1.5
514.45947	13.6
516.47839	5.0
532.47162	33.2
651.09875	1.2
694.52393	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	713.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
61.64795	0.1
62.36821	0.1
69.03391	0.2
73.19582	0.2
74.02418	0.2
85.02885	0.7
93.66261	0.2
97.37122	0.1
98.97536	0.6
105.07002	0.2
106.06512	1.5
108.04404	0.2
108.90394	0.2
111.04459	0.2
112.20235	0.2
115.05438	1.7
116.98579	0.2
117.05740	0.6
120.08073	0.2
130.05598	0.3
130.06490	4.1
131.04904	0.9
132.04427	1.6
132.08044	2.9
133.05142	0.3
133.06442	0.3
134.05981	22.9
142.06477	0.7
146.05937	2.0
147.06779	0.4
148.07529	3.8
151.03873	13.8
152.04077	0.2
157.07574	4.6
158.05977	10.0
158.99567	0.2
159.06749	2.2
160.03922	0.8
160.07542	17.1
162.05460	73.4
163.05765	0.8
169.04918	4.4
175.08612	8.1
176.06992	0.7
176.94536	0.2
186.05455	7.6
196.59982	0.2
199.08620	0.2
200.07056	0.2
203.08101	3.4
204.06514	100.0
205.06841	0.9
218.08040	0.2
221.09163	31.8
237.02510	0.2
305.56598	0.2
331.10199	0.9
383.14301	0.8
618.69836	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	711.3191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01868	3.3
55.05503	7.4
57.03423	4.7
57.07063	1.0
58.22309	0.5
59.04980	1.0
61.02907	8.7
67.05489	13.3
68.05815	1.0
69.03421	4.0
69.07047	4.3
71.04972	2.5
73.02895	4.9
79.05476	10.5
80.05803	0.9
81.03403	5.2
81.07042	14.3
83.01095	0.8
83.04980	2.7
83.08614	3.4
85.02885	9.5
86.09698	1.3
91.03922	6.5
91.05447	7.9
92.05818	0.9
92.09329	1.3
93.07015	11.7
94.07372	1.2
95.04948	3.5
95.08585	5.4
97.02865	8.5
97.06501	0.9
97.10149	2.3
99.04431	1.2
100.17344	0.6
101.02376	1.3
105.07006	6.9
107.04929	1.2
107.08573	8.5
109.02846	0.8
109.06532	0.7
109.10118	5.2
110.10480	0.7
111.04395	0.7
117.06995	2.4
119.08551	4.6
120.08882	0.8
121.10132	4.1
123.08040	0.8
125.09615	1.0
127.03912	1.4
129.05467	3.3
129.06946	0.7
131.08560	2.7
133.10098	4.6
134.10478	0.9
135.11630	2.9
145.04956	1.2
145.10118	3.4
147.11685	2.5
149.13248	2.8
151.11229	0.8
157.10057	1.1
159.11607	0.9
161.13266	0.7
163.11227	1.0
171.11668	1.0
173.13234	0.9
175.14709	0.7
181.04668	1.3
181.12364	0.7
184.07379	3.8
185.04141	8.9
185.13240	1.0
195.13707	0.7
201.03711	3.0
209.11676	0.9
229.14342	3.2
241.06700	1.1
243.08241	6.3
249.11055	2.7
259.07907	0.8
259.20590	2.6
269.17490	3.5
270.17862	0.7
283.15436	1.5
301.08850	20.7
301.16373	0.8
313.08716	0.8
315.10413	6.0
327.10559	3.1
341.12173	1.0
343.13531	0.7
347.14719	2.5
351.25192	7.1
352.25714	3.8
365.15628	1.2
369.15240	1.1
371.16760	1.2
373.10992	10.8
383.16766	3.3
385.18283	12.6
387.12830	0.8
411.20163	1.0
419.24161	0.8
423.27597	0.9
424.27850	0.7
429.17068	5.5
433.57770	0.7
439.19028	1.1
441.17010	0.9
455.18991	2.4
457.20316	2.3
467.18808	13.5
469.20526	1.3
485.19662	0.9
495.29489	1.3
496.29761	2.5
497.19946	5.2
498.20801	1.4
511.21344	1.2
513.26660	1.0
539.19818	4.4
553.21979	0.9
567.24066	2.4
581.29559	7.7
582.30005	0.9
609.28735	4.5
693.30756	0.9
694.32300	0.7
711.31793	100.0
712.32159	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	711.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13135	0.6
53.03945	1.1
55.01870	3.8
55.05499	9.8
56.96564	2.1
57.03424	9.8
57.07069	1.2
58.03773	1.0
61.02909	5.3
67.05487	24.2
68.05834	1.5
69.03417	4.2
69.07054	5.8
71.04974	3.8
73.02897	5.1
78.87611	0.7
79.05475	15.3
81.03397	19.2
81.07042	26.3
82.03747	1.8
82.07367	3.6
83.04965	7.3
83.08611	5.7
84.08932	0.8
85.02880	7.1
85.06509	1.1
86.09707	1.2
87.40604	0.7
91.03951	2.9
91.05459	17.1
91.67538	0.9
92.05809	1.1
93.07021	16.3
94.07385	1.9
95.04950	10.7
95.08571	5.8
97.02882	1.5
97.06512	4.8
97.10165	1.7
105.07011	11.2
106.07383	1.7
107.04946	2.1
107.08585	15.9
108.08941	1.1
109.06529	1.4
109.10139	16.7
110.10521	1.1
111.04424	3.3
111.08094	1.7
117.07022	3.4
119.08534	6.1
121.06412	0.9
121.10146	6.5
123.08043	0.9
123.11681	3.5
125.09657	1.0
129.05499	1.4
129.07016	3.5
131.08565	5.1
133.10104	16.2
134.10457	4.6
135.08035	1.6
135.11711	2.1
145.10104	1.7
147.08043	0.8
147.11703	1.9
149.09650	1.6
151.11168	6.3
152.11494	0.9
153.09319	0.8
163.11163	3.8
164.11516	1.0
175.11200	1.1
181.12137	1.4
184.07349	1.2
193.12267	5.4
194.12650	1.7
195.13928	1.1
209.11768	4.2
210.12204	0.9
211.13274	3.2
243.08658	0.9
249.11002	1.2
253.14336	17.1
254.14668	3.9
267.08850	1.1
267.15768	6.9
268.16199	1.3
269.17520	4.7
271.15378	4.7
283.15384	3.7
284.15790	1.1
285.10104	3.5
285.16913	2.1
286.10501	1.2
301.09039	3.5
301.16504	1.5
356.64825	1.1
373.10657	1.0
409.44434	0.9
423.27527	1.2
424.27679	1.4
445.25818	2.0
446.26038	1.8
463.26901	7.3
464.27344	5.4
467.18777	1.7
477.28384	1.6
478.28677	3.3
495.29318	7.6
496.29587	1.5
581.29456	1.8
711.29974	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94734	0.8
52.30136	1.0
53.00302	1.1
55.01858	7.7
55.05272	1.2
55.05510	25.1
57.03172	1.5
57.03428	25.9
59.04994	1.1
60.08131	1.0
61.02900	6.7
65.03911	1.6
67.05141	2.2
67.05491	54.9
69.03409	7.3
69.07056	15.8
71.04967	9.1
73.02905	1.7
79.04998	1.4
79.05473	58.2
81.03398	100.0
81.07037	63.5
81.07529	1.4
83.04964	32.6
83.08599	34.0
83.19106	0.9
85.02894	35.5
85.06522	4.6
86.09683	6.0
91.03935	2.4
91.05460	81.5
93.07021	44.5
95.04945	55.3
95.08578	26.2
97.02860	9.7
97.06537	9.6
97.10162	4.2
99.04430	1.2
99.08066	1.3
105.07012	59.2
107.04931	18.8
107.08578	19.9
109.02911	1.2
109.06492	14.7
109.10134	5.2
111.04408	6.5
111.08057	16.0
113.05972	4.1
115.05441	2.3
117.07005	8.6
119.04951	1.4
119.08563	43.9
121.06480	5.1
121.10125	19.2
123.04380	1.0
123.08032	5.7
123.11673	5.8
124.99994	1.2
125.09605	2.3
127.03870	1.2
127.07561	1.4
128.06197	1.2
129.06970	27.6
131.08543	29.7
133.06470	5.7
133.10101	35.2
135.08037	4.5
135.11670	2.2
137.09575	4.8
142.07722	6.7
145.06383	1.5
145.10092	5.8
147.08008	5.7
147.11668	39.4
149.09592	16.6
151.11212	7.2
157.10095	32.9
159.11710	1.1
163.11183	2.3
165.12688	9.2
170.40219	0.9
175.11137	27.9
176.15894	1.1
184.07304	13.0
193.12209	57.0
195.11617	1.1
197.82814	0.9
211.13257	46.9
249.14914	1.6
267.15851	74.5
271.15253	1.9
285.10007	1.6
285.16901	57.2
349.21634	1.2
367.22522	2.0
385.23563	4.5
403.24826	2.0
411.20438	1.1
445.25577	2.0
459.27246	49.7
459.33694	1.7
463.26819	1.1
477.28375	62.5
478.29221	1.1
495.29422	63.8
604.52075	1.3
621.32300	2.0
639.33636	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.0
54.81940	0.5
55.01865	3.5
55.05259	0.9
55.05505	13.0
57.03175	0.8
57.03431	16.9
59.04996	0.6
61.02894	0.8
64.10920	0.5
64.60526	0.5
67.05492	19.8
68.05818	0.5
69.03401	4.0
69.07053	6.0
71.04971	3.2
75.41727	0.5
79.05092	0.5
79.05475	23.9
81.03402	100.0
81.07039	25.4
82.03742	0.6
83.04965	13.2
83.08607	22.3
85.02894	15.3
85.03403	0.5
85.06523	2.3
86.09678	1.2
91.04881	1.1
91.05462	32.5
93.07024	17.7
95.04950	32.6
95.08588	9.4
97.02880	5.2
97.06514	3.3
97.10136	5.9
99.08086	0.6
102.71608	0.6
103.05488	0.7
105.06357	1.0
105.07017	22.6
107.04939	9.1
107.08559	9.2
109.06522	6.2
109.10130	4.8
111.04426	2.4
111.08064	9.7
113.05997	2.4
115.05439	2.5
117.07011	3.3
119.04908	1.0
119.08570	22.0
121.06472	4.7
121.10116	8.8
123.04458	0.8
123.08046	3.0
123.11682	1.0
124.23841	0.5
125.09579	4.1
129.06979	16.5
130.22447	0.5
131.04944	0.9
131.08565	14.7
133.06465	5.4
133.10107	8.3
135.08031	0.9
135.11679	0.7
137.05974	0.8
137.09560	1.7
142.07777	3.2
142.09486	0.5
143.08504	1.0
145.06479	6.6
145.10117	3.5
147.08040	4.6
147.11673	14.0
149.09596	7.8
150.10017	0.6
151.11096	0.8
153.09036	0.6
155.08540	1.1
157.10115	15.4
159.07942	0.7
161.05956	1.1
161.09650	0.8
163.11128	2.1
165.12729	2.7
169.10036	1.0
171.08134	0.6
173.09492	0.6
175.11168	14.6
183.11708	0.8
184.07327	3.3
189.11205	1.1
193.12202	34.3
193.13928	1.2
195.11679	1.0
197.09557	0.7
199.11212	0.6
211.13264	10.5
213.12862	0.7
215.14354	0.6
231.13878	0.7
233.15404	0.7
239.14494	0.8
249.14842	2.1
255.13699	2.2
265.78046	0.6
267.15863	77.6
268.16135	0.7
273.14709	3.5
285.16931	11.6
341.21075	1.1
349.21429	3.4
367.22580	5.4
385.23657	8.2
403.24603	2.9
423.25348	0.8
433.25757	11.6
441.26071	4.2
459.27356	55.7
460.27374	0.8
477.28394	35.1
478.29007	2.1
495.29446	1.2
501.58075	0.7
654.59265	0.7
726.62738	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.2498
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
54.20333	0.5
54.82017	0.4
69.03417	4.5
71.04971	0.6
81.03406	0.6
81.98881	0.5
85.02885	2.0
91.05444	3.7
92.80109	0.5
97.02869	100.0
99.04414	0.7
109.02861	2.2
119.04913	13.4
123.04449	1.0
127.03889	9.7
137.16675	0.5
139.03877	20.0
145.04968	1.0
147.04387	97.4
148.04692	0.8
151.03987	0.7
163.03783	1.1
165.05501	1.9
205.07037	18.4
291.08609	0.9
309.09619	14.7
354.50958	0.6
471.14938	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	710.3876
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.3
55.05502	1.7
56.05029	0.3
57.03429	1.3
58.06609	0.2
58.31084	0.2
58.31387	0.2
59.07369	0.2
59.69480	0.2
60.08153	7.4
67.05495	3.5
69.03404	0.3
69.07046	0.7
70.06580	0.2
71.04976	0.3
71.07347	4.2
79.05470	3.6
81.03395	6.3
81.07040	3.8
82.07396	0.2
83.04958	2.2
83.08605	1.9
85.02898	1.9
85.06545	0.3
86.09691	42.1
87.10009	0.2
89.56167	0.2
91.05461	4.8
93.07031	2.9
94.07469	0.2
95.04942	3.3
95.08606	1.6
97.02856	0.4
97.06509	0.3
97.10148	0.4
98.98448	3.1
104.10722	3.1
105.07010	3.1
107.04932	1.3
107.08544	1.5
109.06478	0.8
109.10139	0.4
111.04430	0.3
111.08079	0.8
115.05453	0.2
117.07045	0.3
119.08561	2.4
120.08872	0.4
121.06480	0.3
121.10095	1.4
123.08067	0.2
124.99981	30.7
129.06993	1.2
131.08549	1.8
133.06473	0.3
133.10103	1.9
135.08070	0.3
135.11664	0.7
145.10106	0.4
147.08060	0.2
147.11679	2.0
149.09575	1.2
157.10118	1.6
163.11163	0.4
165.12688	0.3
166.57196	0.2
173.09602	0.2
175.11137	1.7
182.39891	0.2
184.07306	100.0
193.12202	3.3
211.13200	2.3
220.85474	0.2
227.12575	0.2
265.14139	0.8
267.15851	3.6
283.15393	0.2
285.16931	2.6
290.45889	0.2
455.04526	0.2
459.27277	2.6
475.26566	0.2
476.27316	0.3
477.28271	3.2
483.59991	0.2
494.28226	0.4
495.29291	2.6
660.34979	16.9
661.35406	0.3
684.23901	0.2
722.82172	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.4801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84717	0.3
55.05489	0.5
56.05024	0.8
57.14833	0.4
58.06594	0.4
60.08152	9.0
67.05494	1.5
71.07347	4.4
79.05485	0.6
81.07030	1.7
86.09688	47.2
91.05408	0.6
93.07040	0.8
95.08571	1.0
98.98444	3.9
103.23692	0.4
104.10732	3.3
105.07037	0.7
107.08596	0.9
109.10146	0.5
111.08049	0.4
119.08569	0.5
121.10091	0.5
124.99976	35.4
135.11684	0.4
143.01060	0.5
145.10030	0.6
184.07303	100.0
676.45154	0.8
708.36511	0.6
708.47931	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	708.3793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.0
53.03928	3.4
55.01862	14.1
55.05502	26.6
56.99026	0.8
57.03426	21.7
57.07058	1.2
59.04989	1.6
61.02920	7.5
65.03915	0.9
67.05488	56.1
69.03412	6.7
69.07050	20.7
70.04747	0.9
71.04974	11.3
73.02892	6.6
79.05472	38.7
81.03395	39.1
81.07034	100.0
82.04185	3.8
82.91106	0.8
83.04954	16.7
83.08595	18.8
85.02883	13.5
85.06516	6.1
87.04448	0.9
87.93465	0.8
91.03941	3.0
91.04879	1.5
91.05459	44.8
92.64084	0.9
93.07021	36.2
95.04945	22.5
95.08578	23.6
97.02870	6.1
97.06498	10.5
97.10140	10.8
98.07278	3.7
99.04444	1.5
99.08077	5.2
105.07011	43.0
107.04918	10.7
107.08573	25.4
108.08895	1.1
109.06499	7.8
109.10124	12.9
111.04430	1.1
111.08041	6.6
113.05981	1.2
116.04678	7.5
116.23871	0.8
117.06992	7.3
119.08556	30.0
121.06480	1.6
121.10122	21.0
123.08032	8.2
123.11665	21.7
123.12526	1.0
125.09615	9.8
127.07485	1.6
129.05449	20.4
129.06949	8.5
131.08533	14.1
133.06474	1.5
133.10104	19.5
135.08032	1.6
135.11676	5.7
137.09573	3.5
137.13225	1.3
139.11145	1.3
142.07803	1.6
143.07005	4.7
145.10104	5.6
147.08051	1.8
147.11653	45.1
149.09540	6.1
149.13255	3.8
151.11217	3.5
153.09045	1.4
157.08708	9.9
157.10112	9.1
158.05757	0.9
159.11681	4.0
163.11169	6.0
165.12701	16.7
171.06494	1.9
171.10121	3.5
171.11661	1.1
173.09721	1.3
175.11116	9.3
179.14307	1.2
183.13760	1.8
184.07420	1.2
189.11269	3.7
191.10626	1.6
193.12207	14.7
195.13780	1.4
197.40453	0.9
199.13232	3.5
209.11687	2.0
211.13232	7.5
215.14063	0.9
227.12714	6.8
229.14384	2.0
255.15976	1.6
267.15823	47.3
269.17270	6.9
275.20071	3.5
283.15179	2.1
284.15720	1.4
285.16919	28.4
301.16458	38.6
301.19971	3.0
339.17950	3.9
349.23584	21.5
367.20792	1.5
376.17480	1.1
435.27234	3.7
443.28116	1.3
453.28375	11.1
461.28891	26.4
467.29919	1.7
477.28134	4.4
479.29944	7.3
493.27634	6.8
494.28680	1.5
511.28677	61.9
551.14374	1.1
694.81165	1.1
725.86108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.5
55.01868	10.2
55.05505	28.3
55.12434	0.8
56.74353	0.8
57.03428	22.6
57.07045	1.4
59.04998	1.0
61.02911	6.7
67.05140	1.9
67.05493	58.8
68.05836	1.2
69.03426	7.2
69.07053	16.9
71.04974	15.5
73.02905	4.0
79.05476	38.5
81.03402	44.7
81.07038	100.0
82.04160	1.2
83.01322	1.6
83.04957	17.8
83.08598	24.1
85.02894	14.7
85.06528	6.3
85.36336	0.9
88.85955	1.1
91.03937	1.8
91.04889	1.4
91.05460	43.5
93.07023	38.0
95.04949	21.6
95.08590	21.6
97.02865	5.4
97.06516	14.0
97.10154	9.1
98.07306	1.4
99.04488	1.2
99.08109	1.9
105.07012	34.5
106.07272	1.0
106.24890	1.0
107.04942	12.4
107.08575	25.8
109.06502	10.5
109.10142	10.2
111.04436	2.5
111.08042	9.4
114.36818	1.0
115.05448	1.2
116.04688	6.2
117.07020	9.4
119.08557	28.4
121.06488	4.5
121.10126	17.9
123.08030	6.8
123.11682	21.2
125.09578	9.2
127.07527	1.6
129.05457	14.9
129.06958	11.2
131.08534	17.0
133.06517	1.2
133.10110	19.4
135.08006	4.1
135.11674	6.9
137.05940	1.2
137.09587	1.9
142.07819	1.3
143.06998	2.3
143.08586	1.3
145.10074	6.9
147.08008	2.0
147.11671	33.0
149.09573	5.7
149.13272	5.4
151.11189	4.5
153.12718	1.0
157.08592	6.4
157.10124	10.6
159.11691	5.0
163.11189	6.4
165.12732	10.3
175.11134	8.9
177.12744	1.7
183.13931	1.8
184.07350	1.5
187.13187	1.6
189.11110	2.2
193.12201	19.5
195.13724	1.3
199.13147	1.1
209.11659	1.1
211.13254	11.2
215.61374	1.0
227.12724	6.4
229.14235	1.9
255.15976	1.1
267.15848	40.6
269.17331	11.6
283.15402	5.2
285.16885	21.7
301.16479	22.2
301.19879	2.2
339.18002	1.1
349.23770	8.6
435.27209	6.5
443.27780	4.7
453.28491	13.1
453.89432	1.2
453.96140	1.0
460.27475	1.4
461.28833	41.7
467.30139	1.4
475.26651	1.1
479.30002	15.5
493.27615	5.3
511.28159	32.8
622.24622	1.2
713.84412	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3792
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56340	1.2
53.03926	2.4
54.61179	1.3
54.72857	1.4
54.81712	1.4
55.01864	17.4
55.05502	41.3
57.03423	35.8
57.07063	3.1
59.05006	1.5
61.02905	8.9
61.03185	1.6
67.05486	57.7
69.03407	13.9
69.07058	16.0
69.49502	1.6
71.04954	10.7
73.02882	6.4
79.05473	51.2
81.02934	3.8
81.03397	100.0
81.07034	50.1
82.04181	2.7
83.04965	34.8
83.08604	35.8
85.02885	43.3
86.98821	1.8
91.05457	57.4
93.07024	34.7
95.04945	47.6
95.08580	19.1
97.02872	9.7
97.06506	12.4
97.10138	14.7
98.07265	7.4
99.08090	2.4
105.07003	31.8
106.19837	1.6
107.04938	15.9
107.08566	21.0
109.06483	9.4
109.10115	13.5
111.04382	6.6
111.08056	19.5
113.06020	2.7
116.04711	13.2
117.06995	6.9
119.08546	35.5
121.06496	2.9
121.10126	13.6
122.44170	1.7
123.08025	7.8
123.11694	3.4
125.09617	15.1
127.11166	2.2
129.05457	35.6
129.06949	18.8
131.08524	19.7
133.06470	3.8
133.10104	20.1
135.11633	2.9
137.09593	2.4
142.07796	2.6
143.06972	9.4
145.10066	8.6
147.08000	7.0
147.11635	21.6
149.09579	9.6
157.08571	15.5
157.10089	21.1
163.11113	7.7
165.12692	3.5
170.28204	1.6
171.10075	3.0
175.11140	19.8
182.23462	2.0
189.11172	8.9
193.12193	63.2
199.13283	10.3
209.11725	3.9
211.13245	67.0
227.12657	8.4
228.13394	1.9
229.14360	1.9
255.15762	2.0
267.15826	15.2
283.15314	6.8
285.16885	49.3
301.16376	39.6
339.17657	2.2
409.25842	2.0
427.26675	3.0
439.27200	16.5
439.32358	2.4
452.42734	1.8
493.27988	16.0
501.03177	1.9
511.28818	51.4
644.11169	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27313	1.8
53.03934	8.3
55.01859	15.3
55.05504	35.8
57.03425	33.0
57.07073	2.4
61.02911	9.5
67.05495	51.2
69.03414	13.9
69.07043	18.3
71.04967	13.6
73.02898	3.1
79.05472	62.5
80.05855	3.3
81.03398	100.0
81.06593	4.6
81.07034	72.7
82.07371	2.8
83.01324	3.4
83.04967	33.6
83.08605	30.9
85.02879	36.5
85.06512	4.6
86.09685	9.4
91.05458	54.7
93.07015	61.9
95.04947	47.4
95.08579	34.6
97.02864	10.9
97.06512	12.4
97.10139	8.1
99.42106	2.5
105.07013	43.2
107.04938	24.6
107.08559	34.7
109.06546	20.7
109.10136	20.6
111.04422	14.1
111.08053	9.8
114.88353	2.4
117.07010	14.6
119.08547	41.4
121.06474	11.9
121.10110	36.7
123.08044	12.0
123.11683	5.6
124.99924	2.8
125.05959	3.9
125.09602	3.1
129.07039	17.5
131.08546	26.3
133.06451	5.4
133.10107	18.1
135.08017	4.2
135.11679	29.2
137.05994	3.0
137.09576	3.7
142.07768	4.5
143.08566	2.6
144.75333	2.1
145.10106	32.8
147.08020	10.9
147.11646	19.2
149.09598	13.1
151.03862	2.6
153.12752	3.2
155.08502	2.6
157.10086	15.7
159.11685	3.0
163.11143	41.3
165.12694	2.5
167.07022	2.5
173.09679	4.4
175.11137	17.6
181.12181	4.6
184.07330	19.4
191.10730	3.4
191.74271	2.2
193.12198	42.4
209.11748	13.3
211.13278	24.9
227.12711	20.8
266.72824	2.5
267.15851	44.4
283.15302	52.9
285.16928	21.3
291.19293	4.1
301.16333	11.4
365.23123	5.4
366.23572	3.6
383.21832	3.9
401.23279	2.8
429.33466	3.3
457.25793	10.4
457.32635	3.6
475.26859	76.8
475.33502	8.0
493.27835	69.0
493.34653	5.6
511.28842	13.2
694.37201	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	708.3437
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01025	1.5
53.12617	1.5
55.05507	19.8
56.07036	1.4
57.03422	1.8
61.02894	2.4
62.62177	1.3
64.32378	1.4
67.05489	22.2
69.03409	18.5
69.07045	22.7
71.04984	2.2
73.95316	1.3
78.58710	1.4
81.03413	3.6
81.07035	2.8
83.04961	15.4
83.08606	19.7
85.02418	2.4
85.02887	39.1
91.05430	2.0
93.07041	1.9
94.06520	1.8
94.11773	1.7
95.04947	51.3
97.02867	29.5
97.06504	1.8
103.03925	2.4
105.07016	3.5
107.08570	11.1
107.95265	1.7
109.02899	6.7
109.06496	3.1
109.10139	9.8
111.08081	2.9
112.07576	37.3
112.34725	1.5
113.05977	3.7
119.08545	1.8
121.10097	7.8
122.06007	2.4
123.11697	4.1
125.09596	3.4
127.03890	7.3
133.10097	9.5
140.07042	100.0
149.13275	4.0
151.11142	23.8
153.09061	2.5
154.08505	2.2
163.14815	2.2
167.14270	30.7
173.13226	3.9
178.08577	3.0
182.08080	50.7
206.08107	11.9
209.15341	76.8
227.16376	2.2
248.09169	6.1
302.12296	38.3
304.79388	1.8
324.10434	14.9
331.46628	1.6
396.82712	1.7
650.60663	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	707.4355
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	2.1
53.03931	11.6
54.31938	1.7
54.81330	2.0
55.01857	10.5
55.05503	41.1
57.03431	23.1
57.07060	2.9
58.79995	1.7
65.03929	3.2
67.05138	3.7
67.05489	100.0
69.03419	20.8
69.07053	29.3
71.04979	14.0
72.14801	1.7
79.05469	83.3
81.02927	3.9
81.03397	92.2
81.07034	95.8
83.04964	30.4
83.08594	34.2
83.28310	1.9
85.02905	20.1
85.06514	4.1
90.43722	1.8
91.05460	73.2
92.05782	2.3
92.09331	6.5
93.07014	93.6
95.04932	47.1
95.08582	57.0
97.02869	17.2
97.06489	14.0
97.10142	10.2
99.04430	3.3
99.07291	1.8
99.08050	3.3
102.68986	1.9
105.07007	71.8
106.07331	2.9
107.04938	4.6
107.08565	49.1
109.02859	10.7
109.06472	18.0
109.10159	26.3
110.10410	2.4
111.04436	4.6
111.08059	10.5
112.31661	1.9
113.05968	2.1
115.05415	3.4
117.06975	18.1
119.08551	50.3
120.08849	2.1
121.06514	8.7
121.10107	33.7
123.08054	5.0
123.11681	3.0
125.09611	3.1
127.03883	3.5
128.06201	2.2
129.07005	20.5
131.08528	27.8
133.10092	28.1
135.08002	2.9
135.11629	15.1
136.05508	2.5
137.09639	3.4
137.38382	2.0
142.07747	11.7
143.08531	14.0
145.10086	22.5
147.08083	4.1
147.11655	28.1
149.09671	7.1
149.13210	4.3
149.84550	2.0
153.12633	2.3
155.08505	8.8
157.10074	23.7
159.11665	11.6
161.13239	2.7
163.11189	3.2
165.12724	2.8
169.10074	4.5
171.11626	3.7
173.13237	9.4
175.11186	11.0
181.56755	2.2
183.11682	3.0
185.13194	7.8
189.05373	2.3
193.12228	28.6
199.14687	2.6
209.13382	3.1
211.13234	38.9
238.83537	2.1
261.22153	4.1
267.15945	3.7
285.16913	11.9
335.25717	44.8
364.61014	2.2
429.20990	14.0
527.37378	7.8
529.38861	4.0
530.38971	4.8
545.38135	61.0
689.42560	20.5
732.14722	2.2
737.29980	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4646
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88380	1.0
55.05508	1.3
56.05029	1.0
57.07071	1.7
60.08163	9.4
67.05499	1.4
67.26879	0.9
69.07031	0.7
69.47047	0.8
71.07356	4.4
79.05460	1.8
81.07034	2.0
86.09693	43.6
87.04453	4.5
89.18608	0.9
91.05481	1.7
92.09312	4.3
93.07005	2.0
95.04928	1.0
95.08569	1.3
98.98446	4.2
104.10690	1.7
124.99986	33.9
184.07309	100.0
216.97406	1.0
248.36832	1.1
486.95654	1.0
544.01794	1.1
706.46252	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	707.4357
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.7
53.03921	9.4
55.01851	8.6
55.05499	37.7
57.03423	22.2
57.07035	1.7
63.54002	1.4
64.33865	1.5
65.03918	3.0
67.05151	2.6
67.05491	76.4
69.03411	22.2
69.07049	20.5
71.04963	8.1
79.05469	68.1
81.03395	100.0
81.07032	84.8
81.07426	1.6
83.04955	28.7
83.08607	26.5
85.02885	20.5
85.06535	3.7
89.31628	1.7
91.05448	66.8
92.09264	3.7
93.07019	66.2
95.04940	44.1
95.08578	49.3
97.02847	15.3
97.06491	9.5
97.10131	9.9
99.04407	3.7
99.08012	1.6
103.05437	1.9
104.01838	1.7
104.85281	1.7
105.07006	57.3
107.04926	9.1
107.08578	37.2
109.02839	8.5
109.06515	15.0
109.10123	22.2
111.04446	10.8
111.08028	9.5
113.05927	1.9
115.05441	3.3
117.06998	13.8
119.08558	43.8
121.06492	3.2
121.10126	30.3
123.08041	7.2
123.11683	3.5
125.09560	3.2
127.03909	2.2
128.06169	2.7
129.06961	15.7
130.07724	1.8
131.08527	27.5
133.06429	2.4
133.10089	25.6
135.11676	11.9
137.09601	2.4
142.07751	8.6
143.08524	7.5
145.06464	2.1
145.10081	23.7
147.07973	8.1
147.11676	22.1
149.09587	9.4
149.13211	3.6
155.08469	3.4
156.09300	2.4
156.21637	1.8
157.10072	18.7
159.11638	10.8
161.09573	2.2
161.13150	5.7
163.11142	3.8
169.10037	7.1
171.08086	1.5
171.11600	3.4
173.09555	1.7
173.13152	3.6
175.11136	14.2
181.10036	1.6
181.12189	2.2
183.11713	2.8
185.13153	2.6
187.14769	6.0
193.12193	30.2
197.13162	3.2
199.14830	2.2
205.57454	1.7
211.13199	35.3
227.12689	3.3
261.22104	2.8
267.15808	9.9
285.16882	9.5
335.25708	25.8
335.29373	2.4
355.17224	2.8
369.24332	2.6
429.21158	14.0
461.28674	2.3
527.37091	11.9
530.39331	2.2
545.38293	53.8
607.57031	1.5
653.40125	7.4
689.42365	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07425	1.2
54.24931	1.6
55.01850	9.2
55.05506	27.1
56.94236	1.2
57.03425	13.5
57.07071	3.3
58.01456	1.3
59.04990	2.2
61.02908	5.9
65.25741	1.4
67.05140	3.0
67.05489	64.9
69.03413	2.8
69.07052	10.4
71.04979	24.2
73.02909	2.4
73.06537	2.2
79.05472	32.7
81.03393	14.4
81.07035	100.0
83.01317	7.3
83.04955	17.1
83.08598	19.1
85.02883	9.4
85.06514	8.6
87.04431	2.0
91.03909	2.0
91.05462	35.4
93.07025	41.6
95.04957	11.7
95.08586	18.5
97.02834	1.9
97.06506	7.9
97.10104	3.3
105.06996	19.4
107.04922	11.9
107.08579	26.7
109.06464	7.9
109.10133	10.1
111.04410	1.9
111.08039	1.8
117.06989	10.5
119.08542	16.7
121.06468	3.7
121.10096	13.7
123.08022	6.1
123.11713	11.5
125.09593	3.1
128.09825	1.5
129.06918	2.9
131.08533	7.4
133.10088	15.6
135.11665	14.6
143.08534	2.0
145.10107	16.3
147.11678	6.0
149.13235	5.7
149.85040	1.9
151.11168	6.7
159.11684	6.4
163.11140	17.5
173.09641	3.7
184.07266	2.1
187.13326	2.6
191.10603	1.8
209.11685	3.0
252.15207	2.3
267.15750	1.7
269.17349	10.4
283.15326	9.1
301.20065	9.7
311.14996	1.8
341.49399	1.7
351.50858	1.8
410.55545	1.6
451.26779	62.2
459.27148	7.4
465.28558	2.2
477.28433	40.4
478.28540	2.1
496.70358	1.6
509.31067	79.1
697.89917	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.4643
Annotation	Unknow
Peak:m/z	Relative Intensity
54.46509	0.2
55.57241	0.2
56.05020	0.6
57.07065	0.2
60.07857	0.4
60.08149	7.9
62.61853	0.2
67.05486	0.3
71.07047	0.2
71.07361	4.2
79.05450	0.4
81.07044	0.6
84.20106	0.3
84.36369	0.3
86.09689	46.3
86.96203	0.3
87.04435	0.3
91.05457	0.6
95.04880	0.3
98.98430	3.4
104.10703	3.1
105.07008	0.5
119.08527	0.3
124.99975	33.3
136.44014	0.3
143.00996	0.3
184.07301	100.0
185.07568	0.4
251.88857	0.3
312.54932	0.3
455.52704	0.3
462.04636	0.3
544.34778	0.4
705.39636	0.3
706.46722	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	706.3639
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	3.3
53.03930	2.8
54.81195	0.5
55.01867	7.0
55.05504	23.9
55.17316	0.5
57.03427	17.6
57.07065	0.8
59.04980	3.1
61.02917	5.9
65.03924	0.7
67.05141	0.9
67.05489	25.6
67.05847	1.0
69.03410	6.4
69.07056	8.7
71.01351	1.8
71.04966	5.6
73.02905	3.6
79.05473	27.5
81.03399	57.8
81.07037	35.5
83.04964	18.2
83.08602	28.6
85.02890	24.3
85.06525	3.1
91.03918	1.3
91.05463	43.6
92.05784	0.5
93.07023	27.7
95.04947	24.9
95.05396	0.5
95.08577	11.9
97.02882	9.8
97.06506	5.5
97.10146	5.3
99.00788	18.5
99.04420	1.2
99.08084	0.8
101.02380	0.5
103.05447	2.1
105.04523	0.7
105.07013	32.0
107.04934	12.4
107.08572	13.4
109.02857	11.7
109.06498	7.2
109.10140	7.2
110.00500	0.5
111.04424	2.6
111.08060	12.1
113.05994	2.0
115.03913	4.3
115.05412	2.0
116.31268	0.5
117.07002	5.3
119.04918	2.4
119.08557	23.2
121.06472	9.5
121.10124	7.7
123.04414	3.1
123.08047	3.1
123.11681	3.6
125.09631	0.8
127.03892	3.4
127.07516	0.6
128.06184	1.2
129.06981	12.2
131.08533	13.7
133.06464	4.4
133.10101	42.9
134.10413	0.7
135.08025	2.0
135.11688	3.0
137.05975	2.6
137.09618	1.2
139.07536	2.6
142.07773	2.3
143.08536	6.3
145.06477	2.3
145.10117	3.7
146.07274	0.7
147.04408	0.7
147.07022	0.5
147.07982	3.8
147.11678	12.1
148.11197	2.1
149.09581	6.4
151.11156	11.0
157.10098	12.4
161.09575	17.3
163.11143	3.0
165.09082	0.6
165.12747	3.4
171.08028	3.3
175.03938	0.5
175.11150	12.2
179.09180	0.9
179.10634	9.9
189.09048	8.9
193.12207	31.8
197.11690	3.1
207.06503	1.0
207.10175	2.1
211.13251	36.3
225.11165	7.6
227.12860	0.8
243.12219	0.8
265.14487	0.7
267.15848	13.1
281.13934	3.2
283.15326	1.1
285.16885	32.1
295.64929	0.6
299.14835	49.2
445.25397	0.7
469.65201	0.7
473.25299	2.7
491.26306	15.7
491.54459	0.6
509.27359	100.0
510.27719	2.2
594.53430	0.5
594.76068	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	706.3637
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	7.1
53.10854	1.4
54.23881	1.4
55.01623	2.2
55.01865	35.6
55.05504	45.6
57.03426	40.3
57.07063	2.6
59.04982	6.2
59.32944	1.4
61.02918	11.3
65.03908	1.5
67.05145	1.9
67.05491	46.7
68.02617	1.3
69.03411	9.9
69.07068	14.4
71.01329	1.9
71.04961	7.7
72.10099	1.4
72.89427	1.6
73.02898	7.7
79.05468	49.1
80.55260	1.3
81.03387	37.1
81.06591	2.7
81.07034	40.8
82.04173	6.7
83.01315	16.6
83.04965	29.6
83.08603	23.1
84.02119	2.1
85.02880	19.0
91.03925	2.6
91.05456	33.5
92.09287	3.9
93.07020	52.5
94.04160	2.2
95.04939	28.2
95.08567	17.2
96.05735	1.5
97.02873	17.9
97.06522	13.5
97.10148	17.3
98.07291	7.0
99.04429	7.1
105.07018	29.0
106.07777	1.3
106.09258	1.6
107.04948	16.3
107.08575	32.5
109.06499	9.8
109.10137	9.5
111.04427	3.8
111.08057	7.4
116.04691	20.4
117.06995	11.8
119.08546	20.7
121.06445	6.7
121.10108	17.1
123.08050	21.2
125.05993	2.0
125.09602	20.1
127.07484	1.7
127.11286	1.9
129.05441	52.5
129.06952	7.8
130.07806	2.6
131.08524	11.9
133.10095	8.9
135.08002	3.6
135.11668	17.6
137.09590	5.8
143.07022	8.4
143.08534	1.8
145.10107	26.6
147.07982	3.5
147.11674	8.3
149.09612	6.3
150.26033	1.5
153.09082	2.4
153.12692	7.1
155.08498	2.9
157.08566	23.3
157.09976	3.0
158.05644	2.1
163.11142	37.0
171.10117	9.2
173.09550	3.5
175.11203	1.9
181.12231	6.6
184.07277	1.7
189.11142	8.0
191.10657	6.8
193.12280	2.6
199.13255	9.9
209.11670	15.7
227.12747	18.7
255.15923	2.1
267.15845	7.9
268.16345	1.6
279.57581	1.6
283.15350	88.8
301.16385	69.9
335.25333	1.8
337.16318	6.1
340.95343	1.6
351.18018	1.8
358.04150	2.0
437.25198	8.7
474.26376	1.9
475.26614	9.4
491.26227	2.5
492.27072	3.6
509.27325	100.0
661.77405	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	706.3489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.3
55.01861	7.9
55.05502	21.9
55.84999	0.9
57.03217	1.1
57.03428	17.7
59.04984	1.9
59.89113	1.0
61.02916	10.6
64.33249	1.0
67.05136	1.7
67.05489	33.1
69.03411	20.0
69.07047	6.2
70.06584	1.4
71.01331	1.2
71.04974	10.1
73.02887	7.5
79.05467	26.9
80.27482	1.1
81.03397	47.0
81.07037	22.9
82.04178	1.7
83.04958	13.3
83.08601	12.6
84.02109	1.4
85.02892	24.8
85.06525	2.2
85.21149	1.1
85.63269	1.0
90.68024	1.1
90.81674	1.2
91.03928	7.4
91.05453	14.5
92.94880	1.3
93.07018	20.8
94.04170	2.1
95.04957	13.0
95.08575	8.7
97.02866	25.9
97.06517	8.0
97.10155	18.1
98.03656	1.9
99.04417	6.3
103.03937	1.7
105.07018	10.4
107.04323	1.7
107.04911	13.0
107.08569	16.0
109.02850	8.5
109.06512	5.3
109.10134	15.8
110.07286	1.6
111.04429	10.7
111.08055	6.4
113.05980	1.9
116.04689	4.6
117.06969	6.4
119.08530	11.0
121.06506	4.6
121.10114	7.1
123.04397	2.5
123.08033	4.8
123.11671	1.8
125.09591	27.8
127.03885	12.1
129.05438	11.5
129.06987	2.7
130.07762	1.3
131.08595	2.4
133.10097	5.2
135.04453	1.6
135.08037	2.6
135.11668	8.2
137.05980	1.4
137.09616	1.5
139.03911	1.4
143.07040	2.5
143.08502	1.4
145.04955	1.2
145.10089	6.6
147.11656	10.3
149.09592	1.5
151.03935	1.2
153.01802	11.6
153.09059	4.9
153.12712	7.1
157.08562	6.1
157.10129	5.2
163.05884	1.4
163.11157	11.1
165.12700	2.8
171.10182	1.8
173.04391	2.8
173.09547	2.5
173.11739	4.7
175.11159	1.3
181.12151	2.8
189.11197	17.6
191.10686	4.8
193.12122	2.5
209.11714	4.9
211.13274	4.6
224.13959	1.3
227.12743	100.0
229.14272	14.8
247.44792	1.1
267.15802	10.5
283.15302	15.2
284.16101	10.2
285.16980	2.8
298.17654	1.9
301.16382	43.2
314.51617	1.2
427.19418	2.0
428.20026	1.3
429.20941	7.0
445.20422	7.0
463.21518	2.0
607.25745	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	706.2189
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.1
53.03928	1.0
53.58762	0.1
54.81595	0.2
55.01856	0.6
57.03418	0.2
58.27249	0.1
61.02905	0.3
64.44745	0.1
65.03924	3.1
67.01322	0.1
67.05494	2.1
69.03414	2.7
70.88607	0.1
81.03390	1.3
82.00523	0.2
82.04180	1.2
85.02891	6.1
89.67512	0.1
91.03841	0.2
93.03377	0.9
95.04952	6.1
97.02859	2.0
97.06505	1.5
102.28150	0.1
105.04480	0.2
108.02071	0.3
109.02867	0.8
110.03647	2.1
110.07028	0.2
111.04434	1.3
114.03189	0.2
121.02850	0.2
123.04406	4.1
125.02327	0.7
125.05984	1.3
127.03891	0.8
138.03116	1.3
139.03879	9.6
140.04660	25.4
141.01802	0.2
141.05045	0.2
142.02592	2.2
145.04927	0.2
153.05426	0.8
155.07005	10.4
157.25206	0.2
162.07532	0.2
163.03925	0.3
166.02580	0.2
167.03368	5.5
171.06487	7.3
173.08069	1.5
181.04922	100.0
182.05263	1.1
185.04344	0.2
199.05983	23.0
234.52834	0.2
293.06714	0.2
325.09073	0.9
343.10132	3.0
392.26846	0.2
508.56274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	705.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14718	1.4
50.27939	1.4
53.03944	3.5
53.33141	1.4
53.83359	1.3
55.01862	4.1
55.05509	27.9
57.03425	12.3
57.29408	1.5
61.02916	10.3
63.72480	1.6
65.03959	1.8
67.05492	46.4
69.03422	11.3
69.07058	13.1
71.04969	3.9
73.02911	3.5
77.28819	1.6
79.05480	31.3
81.03403	30.0
81.07039	32.1
83.04968	8.2
83.08617	9.1
85.02878	15.1
91.03941	1.8
91.05473	33.3
93.07025	33.0
95.04939	14.9
95.08603	20.2
97.02879	11.4
97.06499	2.6
97.10140	10.8
105.07025	37.0
107.04943	6.9
107.08591	20.2
109.02904	1.8
109.06512	4.0
109.10149	18.5
111.04416	2.5
111.08074	1.9
117.06982	16.6
118.23951	1.7
119.08557	25.3
121.06495	3.5
121.10125	7.6
123.08080	3.1
123.11683	2.5
125.09627	7.4
129.06975	15.9
131.08536	26.2
133.06497	2.6
133.10100	18.9
135.08044	3.7
135.11690	4.2
141.06950	6.5
142.07736	2.1
143.08524	17.9
145.06496	1.9
145.10071	19.7
147.11661	12.5
155.08556	10.4
157.10081	19.9
159.08012	2.3
159.11700	14.8
161.13194	2.3
163.11200	2.8
167.08528	3.4
168.09464	1.9
169.10091	8.9
171.11685	11.1
173.13202	4.4
175.11111	2.0
181.10083	4.2
183.11656	8.6
185.13240	4.3
193.12231	6.6
195.11665	3.1
197.13277	4.4
199.14789	3.0
204.43599	1.9
209.13268	4.0
211.13136	2.7
211.14912	3.3
227.12646	2.3
241.19569	2.4
257.18802	1.9
259.20609	3.0
267.15894	4.4
276.64456	2.0
299.23706	3.1
308.93317	1.9
333.24127	3.1
344.03558	2.3
355.17032	2.1
415.30371	2.3
421.25769	2.4
433.30942	4.3
451.31989	10.7
499.33582	2.1
507.34561	3.3
515.01001	2.2
525.35602	30.6
543.36737	100.0
651.38684	4.0
687.41174	6.1
705.31879	10.4
705.41479	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	705.4203
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	17.7
55.01855	15.5
55.05510	70.0
55.31313	8.3
57.03432	19.3
63.06921	8.6
67.05501	87.8
69.03404	41.6
69.07047	18.2
69.36015	10.3
71.04952	12.4
71.90752	8.6
79.05481	88.0
81.03400	67.4
81.07038	88.8
83.04949	54.2
83.08618	15.0
88.46526	8.5
91.05455	67.9
93.07026	100.0
95.04949	19.5
95.08588	61.0
97.02833	16.5
97.06498	12.9
97.10154	13.5
104.32890	8.8
105.07020	80.5
107.08572	53.9
109.02897	11.2
109.10146	42.5
111.04421	14.7
117.06987	17.2
119.08559	48.5
121.10104	41.7
123.11699	11.6
125.09674	12.7
129.06961	19.5
131.08534	17.3
133.10115	36.6
135.11652	19.6
143.08542	13.1
145.10103	34.8
147.11655	34.9
155.08513	17.6
157.10124	10.4
159.11714	13.8
163.11095	12.1
173.13252	11.5
184.07336	17.6
185.13271	15.9
283.15125	11.6
312.04562	11.5
323.91266	9.6
335.25555	14.6
427.19009	12.4
525.36017	10.8
543.36548	49.2
622.96729	10.6
637.21948	9.4
687.40948	15.0
705.40326	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	704.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74155	0.2
51.78466	0.2
52.51523	0.3
53.49826	0.3
53.74037	0.3
56.05020	0.4
57.07039	0.3
58.06581	0.4
59.50329	0.3
60.08152	9.4
67.05477	0.6
69.07013	0.3
71.07358	4.0
79.05456	0.6
81.07032	0.5
81.37183	0.3
86.09688	45.9
89.05975	0.3
93.07025	0.5
95.08578	0.5
98.98449	3.2
104.10727	3.6
107.08578	0.5
124.99977	32.4
129.78775	0.3
175.76265	0.4
184.07304	100.0
208.92424	0.4
254.44310	0.4
329.91513	0.4
379.98990	0.4
464.85837	0.4
634.91797	0.4
704.44812	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	704.4572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.32167	2.6
55.01863	2.2
55.05499	19.4
57.03174	2.6
57.03428	39.2
57.07069	39.7
57.61709	2.4
67.05493	51.5
69.07046	18.4
71.01326	4.6
71.08614	27.1
79.05474	48.1
81.07042	31.0
83.04963	6.0
83.08605	10.1
83.13341	2.7
85.02870	3.5
85.06551	3.7
85.10166	14.0
91.05457	16.0
93.07021	49.0
95.01378	3.2
95.08591	28.6
97.06473	6.6
97.10143	6.3
105.07035	3.9
107.08586	37.9
109.10136	14.6
117.07012	3.9
119.08509	11.2
119.71550	2.7
121.10062	4.2
133.10121	3.4
135.11642	46.6
145.10130	12.3
163.11197	11.1
181.12181	6.4
206.93724	3.6
243.15933	2.7
255.15878	100.0
298.10818	3.1
313.27353	51.7
416.11319	3.4
493.38788	81.3
510.56375	3.4
549.38867	3.3
551.51361	2.7
595.99292	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	704.384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.5
53.03927	7.0
55.01869	17.9
55.05504	35.9
57.03422	17.1
57.07068	2.2
58.57940	1.5
61.02908	2.0
65.03923	2.1
67.05143	2.7
67.05489	70.9
69.03396	6.1
69.07047	17.4
71.04957	5.9
73.02895	5.6
79.05472	100.0
81.03409	23.8
81.07037	63.8
81.07539	2.1
82.04169	6.6
83.04961	24.3
83.08601	13.4
83.09024	1.4
85.02888	3.3
85.06505	5.5
86.09679	1.5
88.61827	1.3
91.03898	1.8
91.05457	78.4
92.09363	2.6
93.07018	93.1
95.04945	43.0
95.08575	30.6
97.02851	3.5
97.06503	10.8
97.10147	14.3
98.07307	5.0
103.05458	2.0
105.04517	2.3
105.07014	60.9
107.04935	15.5
107.08571	24.6
108.90617	1.5
109.06512	13.1
109.10111	10.3
111.08107	2.3
112.32252	1.4
116.04707	10.9
117.06979	19.3
119.08538	34.0
121.06462	2.5
121.10131	10.3
123.08042	10.3
123.11692	1.4
125.09589	10.5
128.06204	1.8
129.05482	22.1
129.06961	26.6
129.81357	1.6
131.08519	11.0
133.06479	1.5
133.10110	18.2
135.08047	2.6
135.11650	3.0
141.06833	1.6
143.07007	6.3
143.08516	8.8
145.10089	16.4
147.08089	2.9
147.11659	45.5
157.08580	12.0
157.10057	2.6
161.09659	2.2
161.13231	10.5
163.11188	6.4
171.10284	3.2
171.11649	27.3
175.11108	1.9
181.12231	1.5
184.07211	2.8
185.07950	1.7
189.11188	6.5
189.12733	11.6
191.10532	2.1
193.12184	2.4
199.13292	6.5
207.13742	22.2
209.11690	2.7
227.10803	1.6
227.12805	9.6
255.15924	3.0
281.17392	49.5
283.15344	8.6
301.16418	29.4
307.56616	1.6
335.18365	2.8
336.29901	1.6
405.26300	1.7
408.87790	1.5
435.27414	13.0
469.15768	1.4
473.28864	3.2
489.28384	7.6
490.28815	5.5
507.29440	85.9
535.86145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	704.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53983	1.8
53.03932	2.6
55.01867	4.2
55.05493	4.9
55.44712	1.7
67.05487	9.9
69.07037	2.8
69.57011	1.9
71.34339	1.8
79.05471	14.0
81.03389	10.1
81.07028	18.5
83.04984	3.9
91.05462	14.1
93.07016	15.6
95.04943	4.2
95.08570	11.1
103.05444	29.2
105.06998	11.6
107.04940	66.0
107.08579	11.0
109.10211	2.4
113.02348	18.4
113.87202	2.1
115.05434	2.6
117.06969	4.5
119.08538	10.0
121.02831	5.1
121.06509	3.7
121.74432	2.0
131.03395	35.4
131.04893	67.4
131.08580	3.7
137.05968	42.3
141.06987	3.3
145.06522	3.2
155.08623	3.0
157.06468	40.1
163.07504	15.0
169.06416	11.2
171.04381	30.6
177.09248	2.8
181.06427	3.4
181.97935	2.6
197.05981	4.7
199.07623	3.8
201.05434	94.0
223.07465	2.4
225.05443	8.1
229.08400	2.2
251.06842	3.5
255.06467	12.8
257.08026	78.3
283.05945	83.8
285.10095	3.2
289.08496	11.7
297.07462	8.7
359.12485	2.2
371.08984	5.3
385.10690	2.8
403.11703	5.2
407.14722	11.1
433.12732	100.0
446.51755	2.5
468.47192	2.3
507.32684	2.6
509.15680	28.3
657.66504	2.8
658.59363	2.5
659.22675	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	700.4473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.8
54.81572	0.3
55.05501	7.7
57.03168	0.6
57.03426	8.3
57.03685	0.4
57.07064	68.9
59.04976	0.3
60.08155	0.4
61.02911	23.8
67.05491	17.9
67.05849	0.7
69.03415	2.8
69.07052	12.1
70.30171	0.3
71.04984	1.4
71.08611	52.6
73.02893	9.3
75.04456	2.1
79.05470	1.9
81.03410	1.5
81.07034	26.9
83.04960	0.4
83.08598	14.9
85.02883	24.6
85.06536	0.7
85.10163	29.3
86.09689	2.7
89.06017	1.4
91.03930	20.1
91.05484	0.5
93.07019	1.4
95.08578	36.1
97.02863	12.1
97.10146	16.0
99.04446	1.8
99.08099	0.5
99.11709	2.8
103.07575	0.6
107.08553	0.4
109.02848	0.5
109.10136	19.8
111.11697	5.9
113.13252	1.5
115.03913	1.3
119.55505	0.3
121.10139	0.5
123.11671	8.5
124.99983	2.8
125.13227	1.2
127.03886	6.3
137.13185	2.8
145.04933	7.8
151.14822	0.5
163.05971	10.6
165.16356	0.5
184.07306	7.3
191.12679	0.3
193.19527	0.3
249.25723	1.4
267.26758	18.8
285.27856	4.8
341.30417	100.0
342.31000	0.6
359.31473	42.7
416.50342	0.3
503.35312	0.4
632.01917	0.4
699.43915	1.3
700.44470	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	702.4701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	0.4
56.05019	0.6
58.95107	0.3
60.00000	0.2
60.07868	0.3
60.08151	9.0
65.73088	0.2
65.87669	0.3
67.05485	0.6
71.07359	5.1
79.05479	0.4
79.36660	0.3
81.07054	0.9
83.08585	0.3
86.09689	48.5
89.06052	0.4
91.05437	0.3
92.41685	0.3
93.07018	0.5
95.08588	0.6
98.98444	3.8
104.10722	2.9
105.07007	0.5
109.06438	0.3
119.08564	0.5
121.10088	0.4
124.88544	0.3
124.99980	32.8
143.00972	0.4
184.07303	100.0
185.07712	0.3
248.51378	0.3
422.66797	0.3
505.38736	0.4
533.53003	0.4
702.46863	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	699.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53432	1.8
53.00294	2.2
53.03929	2.2
55.01867	3.3
55.05501	18.1
57.03432	28.9
57.06814	3.4
57.07064	60.3
66.25851	1.8
67.05496	23.2
69.07046	12.2
71.04966	3.3
71.08617	25.1
79.05476	18.7
79.43752	2.0
81.02931	3.9
81.03396	100.0
81.07040	27.4
83.04919	2.7
83.08598	25.5
85.02908	2.7
85.10157	13.1
89.05970	2.5
91.05455	22.6
92.08878	14.0
93.06979	15.2
95.04942	30.4
95.08583	30.4
97.02866	3.3
97.10143	8.1
105.07002	15.3
107.04913	11.0
107.08577	12.0
107.82279	2.1
109.06464	2.7
109.10124	10.8
111.08081	5.1
119.08568	19.3
121.10091	5.0
123.04369	2.3
123.07989	3.6
123.11666	3.0
129.06981	14.9
131.08498	3.8
133.06454	2.7
133.10110	8.8
142.64265	2.0
145.10043	4.4
147.08032	3.1
147.11597	10.3
149.09518	2.4
157.10091	7.9
168.06204	2.4
175.11180	8.8
193.12228	26.6
211.13295	2.1
230.75990	2.0
267.15869	58.2
310.42786	2.5
313.27271	63.0
369.85690	2.5
505.38815	42.7
659.28601	4.3
699.43616	2.6
723.41119	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	700.3663
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.4
55.01861	2.4
55.05500	5.4
57.03433	1.6
67.05491	11.2
69.03408	2.8
69.07061	3.0
71.04972	1.1
79.05473	12.1
81.03399	97.9
81.07039	10.4
83.04974	3.8
83.08601	16.6
85.02873	0.9
85.44058	0.6
91.05457	16.5
91.64680	0.6
93.07018	7.4
95.04950	27.3
95.08585	3.8
97.02887	2.7
97.06538	0.7
97.10168	0.9
105.07011	12.3
107.04944	6.8
107.08578	4.3
109.06506	3.8
109.10139	1.2
111.04415	1.1
111.08038	7.2
117.06986	0.9
119.08555	12.8
121.06452	2.8
121.10110	7.5
123.08050	1.4
129.06978	11.8
131.08534	9.7
133.06470	3.2
133.10094	4.6
135.32349	0.8
137.09538	2.2
142.07736	2.9
145.10086	1.0
147.08047	3.0
147.11667	7.8
149.09641	5.2
157.10097	12.8
165.12712	0.8
175.11137	9.2
193.12209	21.3
218.15266	0.7
233.16875	0.6
236.16444	7.6
249.14737	1.3
267.15921	4.1
280.99564	0.6
459.27313	100.0
460.27292	1.4
600.29382	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	699.3559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45907	0.5
53.03941	0.8
53.68613	0.4
55.05512	1.8
57.03432	2.9
59.04995	0.6
61.02912	4.9
67.05500	5.1
69.03435	3.0
69.07059	1.9
71.01346	0.6
71.04987	2.1
73.02905	5.2
79.05476	6.2
81.03405	6.6
81.07033	3.1
83.04973	1.0
83.08614	0.8
85.02892	4.7
87.04458	0.7
91.03942	2.5
91.05473	5.2
93.07027	5.3
95.04964	1.8
95.08590	0.9
97.02863	4.7
97.06512	0.7
97.10208	0.4
99.04475	0.7
101.02383	2.2
102.50880	0.4
105.07039	2.3
106.05202	0.4
107.04975	1.0
107.08578	3.4
109.02910	0.4
109.06516	0.6
109.10172	0.5
111.08078	0.5
115.03940	0.6
117.07037	0.5
119.08575	2.1
121.10138	2.6
127.03893	1.6
128.13739	0.4
129.07047	0.8
131.08589	2.4
133.10159	2.5
135.11664	3.1
147.11612	1.4
149.09630	1.9
157.10159	0.7
175.11172	0.8
193.12256	2.1
221.11583	0.9
221.61844	0.4
229.14362	0.5
243.08467	2.5
267.16013	1.0
283.15134	4.7
336.63058	0.4
339.17596	0.6
355.04453	0.5
439.19370	11.0
453.20905	0.5
501.22971	14.6
501.29739	0.8
634.60132	0.5
681.33539	0.4
699.35522	100.0
700.35504	3.4
729.72003	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.4302
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31736	4.9
53.03935	5.5
55.05496	31.2
57.03415	23.1
57.07062	68.2
58.16262	5.7
67.05486	44.7
69.03391	11.3
69.07040	10.7
71.04965	9.3
71.08598	41.1
79.05463	37.9
81.03398	100.0
81.07030	57.5
83.04933	10.4
83.08592	36.6
85.02888	15.3
85.10153	13.3
91.05450	49.0
93.06996	34.3
95.01306	10.0
95.04919	36.6
95.08582	48.2
97.02850	10.5
97.06478	6.7
105.07004	39.6
107.08581	10.7
109.06532	6.4
109.10144	8.3
111.08041	10.9
119.08558	39.2
121.10092	14.0
129.06979	12.1
131.08557	11.9
133.10132	9.7
141.01787	8.0
145.09962	6.6
147.11635	25.4
157.10095	13.5
175.11186	12.9
176.89201	6.4
193.12216	44.0
211.13297	46.7
228.35812	6.4
267.15836	31.4
313.27286	77.3
362.44727	7.0
443.18701	6.5
505.38712	25.5
523.39868	55.2
699.43103	51.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	699.3558
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37917	0.3
53.00305	0.4
53.03941	0.4
55.05503	1.7
55.53185	0.3
57.03432	2.5
61.02916	5.5
67.05493	6.6
69.03426	3.5
69.07047	0.4
69.12487	0.4
71.01321	0.5
71.04977	4.7
73.02891	4.2
74.54330	0.4
79.05465	3.3
81.03396	4.2
81.07041	3.5
83.04974	1.7
83.08588	0.6
85.02893	5.8
87.04429	0.5
91.03961	3.2
91.05465	4.9
93.07026	4.2
95.04964	1.9
95.08608	1.0
97.02893	4.5
97.06496	0.7
99.04416	1.0
101.02372	1.0
105.07030	2.5
107.08591	1.8
109.02881	0.8
109.06483	0.7
109.10168	4.3
112.15810	0.5
119.08578	2.8
120.08926	0.5
121.10133	0.9
123.08067	0.5
125.91631	0.4
127.03915	1.1
131.08553	0.7
133.10144	0.8
135.11703	2.4
137.09671	0.9
145.10182	0.6
147.11642	0.8
149.09654	0.7
157.10127	0.7
163.11136	0.5
173.11722	0.8
175.11208	0.5
193.12279	0.6
194.75906	0.5
238.12511	0.5
243.08441	2.4
243.15965	0.6
251.12582	0.9
253.14201	1.1
309.16565	0.5
316.24240	0.5
346.04126	0.5
395.88983	0.5
439.18985	0.8
453.21204	0.6
469.20441	7.2
471.21939	10.1
487.21951	0.5
693.84393	0.7
698.34290	0.8
699.35449	100.0
700.35876	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	698.432
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	51.7
57.03418	19.6
57.07070	40.8
61.02896	47.1
65.67520	4.7
67.05488	83.3
69.03406	7.9
69.07048	94.8
71.08612	12.4
73.02878	11.5
76.82688	4.5
79.05455	30.0
81.07047	63.7
83.08601	71.6
85.02887	57.8
85.10150	11.7
91.03933	40.9
93.07020	34.6
95.08579	82.3
97.02853	23.6
97.06492	11.7
97.10152	44.0
107.08562	24.5
108.32204	4.6
109.10152	37.9
111.08086	5.6
111.11674	11.8
121.10133	54.5
123.11669	7.9
127.03896	10.0
135.11688	47.0
145.04971	5.4
148.11986	5.2
149.13194	21.4
163.05942	27.6
163.14757	7.0
191.18044	5.8
195.82741	5.3
247.24126	25.4
265.25171	90.6
283.26199	8.8
339.28845	100.0
357.29852	88.6
663.37811	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	699.1708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17852	0.7
54.65768	0.6
55.01855	1.0
56.03305	0.8
62.93876	0.8
65.03925	1.3
66.59988	0.8
67.01861	1.1
67.05484	1.9
68.99763	7.5
69.03379	1.4
79.05479	1.1
81.03389	3.2
81.07022	1.6
83.21097	0.8
85.02879	1.9
85.73215	1.0
89.05988	0.9
91.05438	1.2
93.07020	3.7
95.04946	1.3
95.08582	2.1
95.32024	1.0
99.04425	1.5
102.13281	0.8
105.03364	1.2
105.06988	1.9
107.04916	5.5
107.08582	1.6
109.02853	4.2
109.10133	1.4
111.00776	4.5
111.04408	6.3
114.73434	0.8
119.04898	1.1
119.08569	1.9
121.02840	26.2
121.10080	1.2
123.04401	77.8
127.03884	100.0
131.04875	1.8
133.10159	1.0
135.03360	1.5
135.04376	39.2
135.11618	0.9
135.19508	0.9
137.02303	5.4
137.05893	1.2
139.03882	42.5
141.06885	1.1
143.04898	1.6
145.10095	1.3
147.04428	7.2
149.02275	8.2
149.05928	3.3
151.03864	12.0
155.04826	0.9
159.04366	4.7
159.11632	1.1
161.05913	1.5
161.13199	1.0
163.03868	37.1
165.05431	3.9
167.03348	10.1
169.06454	1.6
173.05945	5.8
175.03874	4.6
177.05438	4.1
179.03336	4.6
185.05989	3.1
187.03867	7.3
189.05405	5.3
191.03349	17.0
193.04884	4.6
197.05931	3.3
201.05481	10.5
203.03358	16.0
203.06911	1.1
205.04947	1.5
213.05429	1.6
215.03448	1.6
215.07047	1.8
217.04932	3.2
219.06548	1.1
227.03438	1.0
229.04942	8.8
231.06471	1.8
233.04369	5.4
241.04942	1.1
243.06447	5.9
245.04338	11.6
247.05957	17.6
251.05379	1.4
253.04836	1.6
255.06453	2.1
257.04510	9.6
257.06845	1.2
259.05933	6.9
269.04376	6.9
271.05930	16.6
273.07477	5.7
275.05493	10.8
283.05893	7.4
285.07550	1.4
287.05447	20.6
289.06973	9.1
295.06036	1.1
299.05389	2.0
301.07077	10.4
391.07712	1.0
393.09525	1.7
409.08881	16.4
421.09045	1.2
427.10031	2.0
435.10513	1.2
445.33759	0.9
649.73956	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	697.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81986	1.8
57.03415	6.4
57.07089	1.4
61.02912	9.8
63.00275	1.1
67.05492	14.7
69.03404	3.3
69.07059	2.3
73.02895	7.0
79.05468	2.2
81.03378	2.6
81.07031	7.7
83.08595	1.8
85.02882	9.7
91.03941	6.6
91.05468	5.2
93.07028	5.5
95.08575	2.5
97.02869	11.0
101.02365	1.6
109.10143	18.9
119.08572	2.0
121.40488	1.3
129.05470	1.7
129.07133	1.3
133.10156	1.7
173.11720	3.0
185.04250	5.6
229.14250	1.6
243.08371	8.3
301.08972	8.2
315.10489	6.6
369.90805	1.6
370.51138	1.3
371.16629	5.8
373.10690	2.6
385.18433	2.4
413.17719	25.0
425.21143	2.1
453.20779	5.5
484.22729	2.3
485.19800	6.9
499.21445	6.1
541.25897	2.9
567.31372	23.4
596.31183	12.0
625.31818	100.0
626.32043	2.1
628.30334	7.3
651.33130	5.6
697.33917	52.4
697.45770	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	698.4313
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	53.1
57.03413	14.9
57.07067	26.9
61.02911	44.4
64.33916	2.6
67.05485	57.1
69.03394	4.3
69.07047	77.1
71.04964	4.6
71.08595	14.6
73.02890	15.5
79.05467	34.2
81.07029	73.9
83.08601	50.5
85.02872	48.0
85.06528	3.5
85.10149	5.3
86.70745	2.6
91.03948	28.8
93.07011	34.8
95.04942	3.2
95.08579	64.2
97.02859	17.7
97.06501	15.7
97.10143	32.3
99.04388	2.8
107.08575	38.2
109.10130	35.4
111.08035	4.1
111.11662	7.0
121.10104	54.0
123.11707	6.6
127.03878	12.6
135.11690	38.5
145.04929	5.8
149.13191	20.0
151.14716	3.1
163.05971	14.3
163.14790	4.2
165.16347	3.3
205.19363	3.2
220.12454	3.1
247.24164	38.1
265.25204	71.4
283.26135	21.2
339.28900	100.0
357.29877	76.5
433.58530	3.0
444.12772	3.4
612.86005	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	697.34
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01855	1.0
55.05497	2.1
57.03428	4.1
59.04985	0.2
61.02913	8.0
67.05487	4.1
69.03410	4.3
69.07046	1.1
71.01331	0.9
71.04971	0.5
73.02893	5.5
73.99822	0.2
79.05476	5.1
81.03401	9.5
81.07043	4.9
82.03714	0.2
83.01293	0.3
83.04948	2.1
83.08607	2.6
84.68353	0.2
85.02888	13.0
85.06533	0.4
86.03298	0.2
86.16695	0.2
87.04456	0.3
91.03930	4.8
91.05460	6.6
93.07032	3.5
95.04949	3.8
95.08598	2.5
97.02858	7.2
97.06512	1.0
97.10156	0.3
99.04442	1.5
101.02361	3.0
103.03951	1.0
105.07008	5.2
107.04932	1.2
107.08591	1.4
109.02861	1.5
109.06510	0.9
109.10146	1.0
111.04430	0.3
111.08078	1.2
113.05971	0.3
115.03938	0.3
117.07002	0.4
119.08555	3.6
121.10149	1.8
123.08054	0.9
125.09624	0.3
127.03931	1.9
129.06961	2.1
131.08557	1.9
133.06465	0.4
133.10103	3.6
137.05905	0.2
145.05016	0.3
145.10124	0.3
147.08041	0.2
147.11667	3.0
149.09631	1.2
157.10098	2.6
163.11214	0.3
166.01770	0.2
175.11147	2.7
184.07330	0.2
185.04181	0.5
193.12215	4.6
203.05206	0.7
209.11790	0.3
211.13290	2.0
211.15091	0.2
221.11443	0.3
241.06702	0.2
243.08376	3.6
251.12491	3.6
253.86003	0.2
267.15964	0.3
285.17023	1.4
307.15192	1.3
469.20343	19.8
481.27887	0.3
505.29330	0.3
611.74188	0.3
650.73486	0.3
697.33911	100.0
698.34204	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	697.3397
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03437	2.1
57.07069	1.8
61.02921	2.6
67.05479	5.0
69.03448	2.0
73.02912	5.5
76.56013	1.4
79.05472	2.6
81.07036	3.1
83.08588	1.5
85.02909	5.5
90.18903	1.4
91.03953	1.9
91.05476	1.7
92.63731	1.2
93.07034	2.5
95.04906	1.6
97.02888	3.1
97.09169	1.3
101.02424	1.4
101.38309	1.2
105.07023	2.3
107.08569	2.4
109.02895	1.4
109.06566	1.3
119.08601	1.8
129.05455	1.4
185.04202	7.6
199.05777	1.9
201.03679	2.0
235.13100	7.6
243.08473	2.9
257.07523	1.6
275.16318	2.3
278.47516	1.3
301.08881	23.3
315.10583	5.4
333.16742	5.5
371.16815	5.3
373.11047	15.4
379.17426	1.6
385.18271	11.6
401.14355	1.7
417.26077	2.2
453.20786	17.1
457.20551	2.3
469.20401	7.7
483.22144	5.6
484.22675	1.6
525.22705	9.3
595.31049	6.2
596.31055	2.0
679.33344	1.6
697.34003	100.0
697.45618	6.8
698.33923	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	696.4163
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.7
53.03922	0.9
55.01864	1.1
55.05503	22.0
57.03428	10.2
57.07069	11.1
58.51740	0.5
61.02914	30.3
65.03922	2.3
65.54511	0.6
67.05492	81.7
69.03402	4.0
69.06672	1.0
69.07052	30.4
71.04969	2.2
71.08614	5.4
73.02900	12.1
75.04459	0.7
79.05474	26.0
80.32178	0.5
81.03384	2.7
81.07037	100.0
83.04964	2.6
83.08601	21.4
85.02891	31.8
85.06532	2.6
85.10156	2.3
87.04458	0.6
87.81846	0.4
91.03934	27.8
91.05457	18.6
92.08921	2.5
93.07023	28.4
95.04935	2.9
95.08583	89.6
97.02866	13.8
97.06501	7.2
97.09530	0.7
97.10147	12.6
99.04462	1.8
99.08060	4.6
105.07016	15.5
107.08572	19.6
109.02825	0.7
109.06509	2.2
109.10142	43.3
111.08054	4.8
111.11687	3.9
113.09631	2.5
115.03903	0.8
119.08556	15.5
121.10117	22.9
123.08056	1.1
123.11681	18.6
123.12535	0.8
125.09609	1.2
125.13284	0.8
127.03887	7.7
131.08536	1.3
133.10106	17.2
135.11659	12.6
137.09612	0.7
137.13229	7.6
139.11142	0.9
141.12744	1.0
145.04939	9.4
145.10133	0.7
147.11668	13.0
149.13240	9.7
151.11215	1.3
151.14796	7.0
153.12723	0.7
155.14275	2.2
161.13214	13.1
163.05980	10.7
163.14781	9.0
165.12749	1.0
165.16325	6.8
167.14340	0.6
175.14777	10.2
177.16328	1.3
179.14310	0.9
179.17950	3.3
181.15904	1.2
189.16377	5.0
203.17955	2.8
219.21112	0.8
245.22585	40.8
263.23642	71.1
265.25244	1.0
265.60013	0.5
281.24979	1.7
286.55887	0.5
295.72559	0.5
337.27298	51.2
345.29379	0.5
355.28369	16.2
463.61514	0.6
499.32602	5.8
696.46210	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	696.4438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.9
55.01859	0.5
55.05500	5.5
57.03422	1.6
57.07065	20.8
60.89537	0.3
64.14406	0.4
64.33294	0.3
67.05488	11.9
69.03403	0.8
69.07058	4.8
71.08605	13.4
79.05468	6.8
81.03392	40.5
81.07030	14.9
83.04957	0.8
83.08601	11.8
85.06539	0.4
85.10162	7.4
87.89098	0.3
91.05457	9.4
93.07012	5.3
95.04942	12.6
95.08575	12.9
97.02905	0.6
97.06461	0.7
97.10153	3.3
101.49264	0.4
105.07001	6.5
107.04929	2.6
107.08578	2.5
109.06491	1.7
109.10133	3.9
111.04394	0.4
111.08037	2.4
115.05448	0.5
117.06995	0.9
119.08569	6.6
121.06470	0.9
121.10063	3.8
123.11659	2.3
129.06970	4.8
131.08521	5.2
133.06462	0.8
133.10124	2.4
135.11658	0.5
137.09550	0.7
137.13301	0.5
142.07715	0.8
145.10072	0.6
147.08067	1.8
147.11627	3.6
147.21054	0.4
149.09602	2.5
155.01053	0.6
157.10120	4.3
162.20734	0.5
175.11125	3.2
193.12189	7.1
201.73808	0.4
213.78831	0.4
236.16449	4.7
249.14702	1.7
267.15668	0.6
282.27774	2.0
313.27350	0.9
505.38733	100.0
506.39209	2.6
646.40228	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	696.4164
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	2.1
55.05508	20.7
57.03439	8.8
57.07071	10.2
59.29012	1.0
61.02916	37.6
67.05494	86.1
69.03412	2.5
69.07054	27.2
71.04953	2.7
71.08628	5.6
73.02902	15.7
79.05475	22.3
81.03380	1.3
81.07041	100.0
83.04980	2.2
83.08609	23.5
85.02895	37.9
85.10162	1.5
91.03938	28.5
91.05461	21.6
92.08580	2.7
93.07028	34.5
95.04974	1.9
95.08589	82.5
95.09200	2.8
97.02879	18.5
97.06501	8.0
97.10154	11.9
99.04461	2.1
99.08034	2.1
103.03954	1.5
105.07005	17.4
107.08574	23.7
109.06481	1.5
109.10146	52.1
111.08073	5.1
111.11691	1.9
115.03921	1.3
116.50911	1.1
119.08562	16.5
121.10124	25.0
123.11685	23.9
127.03892	7.8
128.69841	1.2
131.08505	1.2
133.10101	20.1
135.11679	13.0
137.09674	1.3
137.13258	8.4
139.11072	1.3
141.12761	1.6
145.04936	9.7
145.10074	1.6
147.11671	14.1
149.13274	8.6
151.11183	1.5
151.14787	5.2
161.13190	15.2
163.05930	13.7
163.14803	9.1
164.39102	1.4
165.16396	2.6
166.00444	1.3
175.14822	8.9
177.16328	1.8
179.17941	5.0
189.16348	6.1
203.17967	1.7
207.17476	1.4
245.22594	48.5
263.23645	89.6
265.25281	1.8
281.24731	1.9
337.27295	39.3
349.16595	1.3
355.28345	14.6
536.66058	1.4
651.54944	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	695.324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34544	0.3
53.03928	0.7
55.01855	1.6
55.05505	4.0
56.05825	0.3
57.03430	5.3
59.04989	0.4
61.02907	5.0
67.05487	11.2
68.05807	0.7
69.03413	3.9
69.07047	2.5
71.01312	0.5
71.04980	2.5
73.02901	4.2
79.05466	9.1
79.34318	0.3
80.05830	0.7
81.03397	11.4
81.07036	7.5
82.03725	0.6
82.07375	0.6
83.04962	3.6
83.08589	4.9
85.02366	0.5
85.02883	9.8
85.06536	0.6
86.09676	0.8
87.04458	0.4
91.03936	2.8
91.05453	8.5
92.05853	0.4
93.07017	9.2
94.07349	0.6
95.04939	5.8
95.08591	5.1
96.05260	0.7
97.02855	5.4
97.06499	1.6
97.10175	0.5
99.04431	0.9
101.02380	1.6
105.07000	6.0
107.04924	3.5
107.08570	4.4
108.05181	0.4
109.06507	0.7
109.10135	5.6
110.10450	0.3
111.04436	0.7
111.08055	1.7
115.03942	0.5
117.06991	1.5
119.08555	5.8
120.08900	0.5
121.06516	0.8
121.10104	4.1
123.08030	0.5
123.11717	0.5
125.00002	1.5
125.09601	0.5
127.03852	1.4
127.78918	0.3
129.07007	2.4
131.04912	0.4
131.08508	2.5
133.10049	2.9
135.11681	4.6
136.12045	0.4
137.09618	0.7
142.07742	0.4
145.10098	3.4
147.08054	0.6
147.11687	2.6
149.09662	0.8
157.10121	2.9
159.11568	0.5
163.11153	4.8
175.11206	1.9
181.12222	0.8
184.07312	3.3
193.12172	5.2
203.05214	0.4
211.13303	2.5
227.12709	3.9
231.52704	0.4
242.15996	0.4
243.08330	2.8
249.10915	10.3
251.12717	0.8
267.15875	1.7
268.16446	0.6
269.17325	1.4
285.17026	1.7
286.17236	0.8
287.18463	0.5
305.13531	2.2
307.14841	0.4
421.26187	0.5
427.68057	0.3
428.43784	0.4
439.26880	1.7
440.27100	1.6
447.27353	1.5
448.27750	0.7
461.28955	1.5
462.29175	1.8
465.28564	2.6
467.18716	10.9
469.20349	13.2
479.29852	0.9
497.30661	2.4
498.31830	0.7
533.27136	0.9
695.32300	100.0
696.33142	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	695.3246
Annotation	Unknow
Peak:m/z	Relative Intensity
50.94492	0.2
53.03938	0.6
55.01857	1.6
55.05499	4.2
57.03421	4.7
57.87864	0.3
59.04957	0.4
61.02645	0.3
61.02913	7.6
65.03943	0.3
67.05489	11.0
68.05817	0.5
69.03410	4.8
69.07051	2.3
71.01350	0.5
71.04976	3.1
73.02895	4.9
79.05049	0.6
79.05466	7.4
81.03397	12.2
81.07030	8.4
82.07379	0.4
83.01314	1.2
83.04970	3.0
83.08599	4.3
85.02886	10.2
85.06542	0.4
86.09686	2.3
87.04460	0.3
91.03933	4.1
91.05457	8.2
92.05806	0.7
92.08694	0.6
93.06479	0.5
93.07027	7.7
94.07340	0.4
95.04937	5.1
95.08585	3.6
97.02872	6.5
97.06499	1.8
97.10123	0.4
99.04436	1.3
101.02357	1.9
103.03897	0.6
105.07002	4.5
106.07360	0.3
107.04935	2.3
107.08573	3.4
109.02866	1.4
109.06504	1.8
109.10136	5.0
110.10532	0.5
111.04404	0.5
111.08035	2.0
115.03908	0.4
117.07009	1.4
119.08541	5.0
120.08861	0.6
121.06471	0.4
121.10126	3.3
123.08073	1.5
123.11668	0.4
124.99995	1.4
127.03886	2.0
129.05424	0.4
129.06989	2.0
131.08559	1.9
133.06500	0.4
133.10097	2.4
135.08015	0.4
135.11667	2.2
137.09567	1.4
142.07698	0.3
145.04941	0.4
145.10091	2.8
147.08049	0.4
147.11646	2.2
149.09630	1.2
149.13261	0.5
157.10101	2.3
157.36861	0.3
159.11682	0.3
163.11130	3.2
165.12816	0.5
175.11185	1.5
176.11484	0.4
181.12244	0.3
184.07272	4.2
185.04216	0.5
193.12209	4.2
194.12511	0.5
199.49048	0.3
203.05217	0.3
209.11752	0.6
211.13257	2.3
241.24646	0.3
243.08368	3.9
249.10954	0.5
251.12520	1.7
255.15816	0.6
267.15915	2.8
268.16275	0.7
269.17487	1.8
283.15411	1.3
285.16949	1.1
286.17197	0.3
358.50891	0.4
366.85327	0.3
421.25778	1.1
422.26239	0.3
439.26892	1.5
440.27097	1.4
447.27466	1.3
448.27704	1.2
461.29010	3.1
462.29413	2.5
465.28595	2.0
466.28793	1.2
467.18820	10.2
469.20364	6.2
479.30209	0.5
480.30719	0.4
497.31149	2.2
498.31213	1.2
695.32300	100.0
696.32471	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	694.5243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.97755	8.5
55.05494	19.7
55.66125	8.4
57.07045	7.8
58.17524	9.0
58.99421	7.1
67.05492	100.0
69.07043	19.1
74.66261	8.3
79.05482	89.7
81.07045	86.3
83.08616	10.6
83.67861	9.3
91.05451	53.4
93.07011	88.6
95.08001	9.0
95.08578	55.2
97.06486	17.6
97.10126	10.8
105.07007	54.2
107.08569	54.1
109.10156	44.6
117.06985	11.2
119.08575	36.0
121.94601	11.0
131.08441	10.8
133.10085	16.1
145.10103	22.1
147.11664	15.3
156.63910	10.1
158.83096	9.1
159.11638	14.0
165.48872	9.5
176.00475	9.1
199.27124	9.9
229.14232	16.1
255.33582	11.1
273.01196	11.2
335.25644	44.5
341.70428	11.2
379.29984	11.5
529.38977	70.6
695.42615	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	694.4006
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02387	0.5
53.03930	2.7
54.81915	0.6
55.01860	2.9
55.05502	13.7
55.57653	0.5
57.03426	21.7
57.07049	0.4
59.80692	0.4
61.02910	2.1
65.03896	0.5
67.05492	38.1
69.03433	1.8
69.07056	10.3
71.01337	2.0
71.04975	5.1
72.86262	0.5
76.56287	0.4
79.05473	39.9
81.03399	66.1
81.07037	24.9
81.07526	0.5
83.04964	10.1
83.08605	13.9
85.02886	2.1
85.06522	3.5
86.09678	0.7
91.05454	21.0
91.06004	0.9
93.07021	42.1
95.04944	19.1
95.08577	8.3
97.02856	2.0
97.06510	10.3
97.10146	10.1
99.04417	1.0
99.08063	1.2
105.04493	0.5
105.07011	13.0
107.04932	6.3
107.08578	27.0
109.06509	3.3
109.10157	6.0
111.04430	0.7
111.08047	6.6
111.11761	0.7
113.05993	0.8
115.05431	0.6
116.04649	0.5
117.06994	5.4
119.08553	13.8
121.06491	3.0
121.10101	7.4
123.04495	0.5
123.08064	2.1
125.09604	2.7
129.06978	9.4
130.07735	0.7
131.08556	7.9
133.06459	2.5
133.10127	6.3
135.08070	0.8
135.11667	44.5
137.09575	3.3
142.07787	2.3
143.08554	0.7
145.10089	9.9
147.08057	3.2
147.11674	7.0
149.09601	3.2
151.11183	0.5
153.12750	1.2
157.10101	8.7
159.11641	0.8
163.11163	6.7
165.12737	2.1
169.12099	0.6
175.11130	6.8
181.12201	8.4
184.07310	2.0
185.13252	0.5
193.12202	20.0
199.13316	1.0
205.12340	0.8
211.13350	1.1
223.13242	0.8
226.67302	0.5
249.14769	1.2
255.15849	56.5
267.15866	42.9
269.17444	0.7
270.72446	0.6
283.09454	0.5
285.16995	0.6
311.37238	0.5
329.20898	0.7
403.24744	0.8
421.25839	8.5
447.27313	100.0
448.27756	1.2
461.28754	0.9
465.28452	3.2
479.29971	4.1
489.28192	2.0
543.22961	0.6
699.43250	0.6
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
50.20847	0.9
53.03939	2.2
54.81925	1.0
55.01859	4.5
55.05507	20.8
57.03429	21.0
57.07087	0.9
59.04979	5.1
60.08144	1.1
61.02909	6.5
61.41829	1.0
65.03919	1.5
67.05491	100.0
69.03401	4.6
69.07059	10.0
69.36750	0.8
71.04974	23.8
73.02909	1.8
79.05474	42.0
80.05810	1.4
81.02930	1.8
81.03402	49.3
81.07036	47.9
82.03752	1.1
82.07364	2.3
83.04961	21.0
83.08119	1.3
83.08601	25.7
85.02885	29.8
85.06531	4.9
86.09683	9.4
88.55186	0.9
90.49517	1.0
91.03922	1.7
91.05457	44.0
92.75477	1.0
93.07021	36.3
95.04945	29.4
95.08584	20.9
97.02859	6.1
97.06504	9.4
97.10140	6.1
99.08092	2.1
105.07013	24.5
107.04937	7.8
107.08573	20.2
109.06499	6.9
109.10139	56.9
111.04442	2.1
111.08080	10.2
113.05973	1.6
115.05394	1.4
117.06995	4.3
119.08551	31.1
120.08861	1.6
120.46952	1.1
121.10136	15.6
123.08026	1.8
123.11665	6.0
125.00000	7.2
125.09610	1.1
129.06984	9.8
131.08578	11.6
133.06468	2.1
133.10094	14.8
135.11674	13.8
137.09576	12.3
142.07727	2.2
145.10077	2.4
147.07976	1.9
147.11671	21.8
148.11967	1.8
149.09621	7.4
155.10646	1.8
157.10115	15.1
157.77150	1.0
163.11160	4.4
165.12700	6.0
169.12195	1.4
170.51526	1.1
173.11688	11.8
175.11131	15.5
181.12276	1.4
184.07297	19.8
193.12196	34.1
194.12529	1.6
195.58331	1.0
211.13251	28.7
212.13559	1.3
213.13725	1.1
229.14363	2.1
255.15843	6.2
267.15866	20.7
268.16144	4.7
269.17389	4.0
285.16885	19.4
286.17245	6.2
287.18390	10.9
357.96552	1.1
417.34158	1.1
421.25766	19.7
425.06442	1.0
439.26828	53.5
447.27332	23.4
449.81577	1.2
453.28275	7.4
461.23203	1.1
461.28659	7.5
465.22247	1.9
465.28375	35.3
479.29993	10.8
495.29031	1.6
496.29654	6.9
497.30948	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	694.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05442	0.4
59.56031	0.4
60.89591	0.4
62.07291	0.5
67.71953	0.5
69.03416	2.9
70.06564	0.8
73.10840	0.5
81.03397	0.7
81.07018	0.5
85.02898	0.7
91.05462	5.5
97.02870	74.3
109.02864	0.8
119.04920	23.2
123.04381	0.5
127.03872	4.5
133.10110	1.2
137.09605	0.9
139.03874	10.0
145.04930	0.5
147.04387	100.0
187.23343	0.5
202.28915	0.5
205.07045	7.0
350.99985	0.6
380.67087	0.5
437.12427	0.8
449.51111	0.6
455.13260	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	692.4489
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81694	0.7
55.05497	1.1
56.05017	0.7
56.51364	0.4
57.07066	0.8
60.08152	9.2
60.86750	0.5
67.05486	3.7
69.07047	1.0
71.07353	4.4
79.05464	3.5
81.07037	7.2
83.04977	0.7
85.82290	0.5
86.09687	44.3
91.05438	3.2
93.07027	6.0
95.04936	0.9
95.08565	3.7
96.83583	0.6
97.06484	0.8
98.98442	5.4
104.10687	2.7
104.11404	0.7
105.06998	5.8
107.08567	3.7
109.10148	1.0
119.08528	4.4
121.10109	0.9
123.08080	0.7
124.99979	28.9
131.08560	1.3
133.10104	1.3
135.11647	0.8
143.08553	0.8
147.11763	0.8
157.10030	0.9
159.11713	0.7
171.11627	1.0
180.55528	0.6
184.07298	100.0
416.45453	0.6
443.94659	0.6
468.69125	0.7
692.44812	10.1
712.37567	0.7
715.09973	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	693.3085
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00311	0.3
53.03931	0.5
55.01870	3.6
55.05503	7.0
57.03426	6.5
58.26622	0.3
59.04982	0.8
61.02914	8.5
67.05492	13.2
68.05824	0.6
69.03415	4.0
69.07061	3.5
71.01342	0.5
71.04975	3.0
73.02899	6.4
79.05476	10.0
81.03400	7.8
81.07040	15.4
82.07362	0.8
83.01332	1.4
83.04967	4.1
83.08602	4.2
84.08913	0.4
85.02885	8.7
85.06534	0.5
86.09671	0.3
87.06848	0.4
91.03938	4.8
91.05453	7.9
92.05801	0.6
92.47597	0.4
93.07020	12.2
94.07360	1.3
95.04951	4.4
95.08582	5.7
97.02865	7.0
97.06512	2.6
97.10165	1.5
98.07293	0.4
99.04447	2.2
101.02369	2.9
105.07013	5.2
107.04922	3.2
107.08570	7.3
108.08958	0.4
109.02846	0.6
109.06513	2.6
109.10142	3.8
110.10452	0.4
111.04442	0.9
111.08097	1.3
116.04697	0.7
117.06984	3.6
119.08543	4.2
121.06498	1.5
121.10117	3.9
123.08062	3.5
123.11724	0.5
125.05988	0.6
125.09622	1.3
126.20150	0.4
127.03918	2.2
129.05475	3.4
129.07025	0.8
131.08571	3.0
133.10118	2.3
134.10461	0.4
135.08032	0.8
135.11665	5.0
137.09550	0.4
139.07475	0.4
139.83977	0.3
143.08554	0.4
145.04903	0.4
145.06479	0.5
145.10103	4.7
145.36174	0.4
147.11723	2.3
149.09668	0.4
149.13272	1.9
157.08617	0.5
157.10100	0.4
159.11667	0.5
163.11134	7.6
173.09567	0.5
181.12282	1.2
184.07347	0.7
185.04237	0.5
191.10716	1.4
193.12230	0.4
195.13821	0.8
199.13258	0.6
209.11708	2.4
210.12193	0.4
227.12799	1.8
243.08360	2.6
249.11020	1.7
267.15985	1.8
268.16104	0.8
269.17438	3.8
270.17871	1.5
283.15332	5.0
284.15649	0.6
285.16864	0.7
301.16483	2.9
302.16888	0.8
305.13834	0.4
320.33609	0.4
423.27350	1.7
424.27515	0.6
437.25247	0.8
438.25839	0.5
463.26984	0.5
467.18829	16.4
477.28400	4.7
478.28598	3.1
495.29382	5.5
496.29819	3.9
531.25397	0.4
544.58801	0.4
693.30786	100.0
694.30847	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.4207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.1
53.03934	2.4
54.90946	0.8
55.01867	4.7
55.05505	27.4
57.03430	14.1
57.07069	1.9
59.04996	2.0
61.02909	6.4
65.03939	1.4
67.05490	79.5
69.03418	2.4
69.07056	20.7
71.01363	1.0
71.04971	17.3
73.02892	2.3
74.93143	1.0
79.05467	37.7
81.03391	7.3
81.07037	100.0
83.04968	9.9
83.08602	18.5
85.02870	8.7
85.06531	6.6
86.09653	1.1
91.03957	1.7
91.05456	29.4
93.07017	49.9
95.04944	7.1
95.08576	21.6
97.02897	1.4
97.06512	9.0
97.10142	6.7
99.08070	1.4
99.67330	1.1
105.07005	16.2
107.04945	1.6
107.08572	36.4
109.06509	4.2
109.10134	30.5
111.08025	7.9
117.06993	11.6
119.08556	8.3
121.06459	2.1
121.10110	13.2
123.08006	4.1
123.11691	10.2
124.01710	1.1
125.09622	5.3
131.08525	10.3
133.10092	16.5
135.08052	1.8
135.11642	8.8
137.09552	1.1
144.68880	1.1
144.70085	1.0
145.03612	1.2
145.10049	2.1
147.11638	1.9
149.13219	17.2
151.11185	4.1
157.10078	1.5
159.10425	1.4
159.11612	9.9
162.02083	1.0
163.11153	1.1
173.11687	2.3
177.12733	4.4
195.13837	9.2
227.12668	1.1
229.14284	15.4
249.43933	1.1
267.15903	1.4
269.17413	25.6
292.70596	1.2
301.16412	6.8
301.20117	4.4
411.27478	1.4
423.27081	14.5
437.28894	26.3
451.30307	1.3
463.30408	55.3
464.30936	1.2
477.28653	1.4
495.27829	2.5
495.32773	17.9
513.30536	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	692.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
52.29193	0.8
53.00306	1.4
53.03928	4.9
55.01862	6.8
55.05502	41.5
57.03423	25.7
57.07060	2.0
59.04986	4.8
60.81218	0.9
61.02918	9.7
63.86219	0.9
65.03925	2.0
67.05492	100.0
67.42970	1.0
69.03408	4.2
69.07060	24.7
71.01344	1.4
71.04980	7.2
73.02894	5.2
79.05474	44.0
81.03397	15.0
81.07038	81.5
83.04963	14.8
83.08601	21.4
84.29852	1.1
85.02892	15.4
85.06537	7.1
87.04443	5.3
91.03926	4.9
91.05464	28.2
92.64227	1.0
93.07018	47.6
95.04948	11.2
95.08582	25.9
97.02857	6.2
97.06508	11.4
97.10161	16.9
99.08043	1.4
105.07008	15.8
107.04935	4.6
107.08572	36.5
109.06489	5.0
109.10135	55.6
111.08083	7.8
113.05958	1.1
117.06987	12.1
119.08578	13.1
121.06446	4.1
121.10113	14.5
123.08066	1.6
123.11681	4.6
125.09614	11.3
129.05438	6.2
129.06960	2.1
129.66035	1.0
131.08539	10.4
133.10115	15.7
135.08020	3.8
135.11700	10.8
137.09612	2.2
143.08586	1.4
145.10103	7.4
147.08069	1.5
147.11684	6.2
149.09558	1.4
149.13281	10.1
153.12695	1.5
157.10063	2.2
159.11685	9.3
163.11130	8.7
165.12689	1.1
173.11714	13.4
177.12737	1.3
193.12288	1.5
195.13728	8.8
199.13214	4.3
209.11691	1.8
221.03125	1.1
227.12630	1.8
229.14275	29.5
239.16258	1.9
265.14108	1.2
267.15915	6.9
269.17422	34.8
283.15436	2.4
301.16434	11.8
396.00116	1.2
411.27295	4.5
423.27298	27.1
495.29428	53.0
508.07306	1.1
513.30469	20.3
529.75848	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3848
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.4
55.01871	13.1
55.05504	50.2
56.69415	1.2
57.03432	33.0
57.07059	2.4
59.04979	1.6
60.29509	1.1
61.02915	14.8
67.05497	91.2
69.03436	13.0
69.07060	27.1
71.01346	2.2
71.04969	8.3
73.02901	6.0
78.04786	1.5
79.05475	63.4
79.19117	1.3
81.03413	24.5
81.07040	100.0
81.67754	1.5
82.04160	1.9
83.04967	20.7
83.08608	25.8
84.57391	1.3
85.02897	16.1
85.06529	6.3
91.04896	1.9
91.05465	48.2
93.07027	69.1
95.04949	20.9
95.08583	27.3
97.02879	11.7
97.06528	14.1
97.10162	19.3
99.08078	2.2
105.07017	17.9
107.04945	6.3
107.08582	42.5
109.06481	8.3
109.10157	19.4
110.66475	1.7
111.04471	1.7
111.08076	7.0
116.04670	7.4
117.06973	10.7
119.08556	16.1
120.60616	1.7
121.06483	2.7
121.10139	18.7
121.62578	1.5
123.07998	2.2
123.11696	3.4
124.36774	1.5
125.09616	16.2
127.03888	2.2
129.05470	19.9
129.06966	3.2
131.08543	13.9
133.10104	16.8
135.08072	3.2
135.11656	14.1
137.09612	1.8
143.07019	3.6
145.10132	3.4
147.08023	1.5
147.11705	7.7
149.09660	1.9
149.13252	20.5
155.22314	1.7
157.08578	9.9
157.10048	2.9
159.11674	11.9
162.15149	1.4
163.11122	7.9
168.07434	1.4
171.06541	1.8
171.10202	1.6
171.11754	2.0
173.09560	2.4
173.11729	2.5
177.12677	2.0
189.11168	2.3
193.12228	6.4
195.13783	13.6
199.13275	11.0
209.11722	6.3
211.13284	2.9
227.12706	7.5
229.14247	1.8
267.15842	9.8
269.17432	41.1
283.15390	8.7
285.16837	2.6
301.16452	28.8
393.26126	6.8
411.27460	15.7
417.96802	1.9
423.27267	27.8
477.28442	11.8
478.29443	3.6
495.29489	59.3
621.32019	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	692.3842
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	3.2
55.05505	26.5
57.03430	25.8
58.76820	1.6
61.02910	5.8
61.59165	1.2
67.05492	35.7
69.03410	6.1
69.07056	11.6
71.04968	6.4
73.02895	2.0
79.05479	34.6
80.89500	1.4
81.03399	100.0
81.07037	38.6
83.04962	24.7
83.08607	38.1
85.02884	47.6
85.06525	2.4
91.05457	57.9
91.24675	1.4
93.07026	25.2
94.30227	1.5
95.04944	39.8
95.08585	18.0
97.02862	7.8
97.06495	6.9
97.10184	3.1
105.07012	40.3
107.04959	12.9
107.08562	11.5
109.06509	9.4
109.10141	2.5
111.04452	2.2
111.08070	12.9
113.05958	2.7
115.05473	2.4
117.06979	1.6
119.08558	32.9
119.24084	1.3
121.06494	1.7
121.10151	11.6
123.08012	2.4
129.06984	19.2
131.08540	20.5
133.06500	3.0
133.10083	16.9
136.16272	1.5
142.07745	5.5
145.10101	1.4
147.08008	3.0
147.11681	27.1
149.09595	11.7
157.10109	23.7
165.12717	6.3
175.11145	26.8
193.12218	56.2
211.13266	66.9
267.15820	29.8
285.16901	62.3
459.27377	25.3
477.28308	27.9
495.29401	79.0
581.38080	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4776
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30815	1.5
51.84272	1.4
53.75948	1.3
54.53571	1.4
55.01864	3.3
55.05510	19.3
57.03429	28.8
57.04720	1.3
57.06817	2.2
57.07072	38.0
61.02921	3.8
66.90335	1.6
67.05500	60.6
69.07061	23.6
71.01333	2.9
71.04961	3.8
71.08617	26.9
79.05475	50.1
81.03394	6.9
81.07045	41.6
83.04963	9.3
83.08605	14.1
85.02886	3.4
85.06535	3.4
85.10178	15.7
87.01920	1.5
91.03918	1.8
91.05460	20.4
92.08821	14.8
93.07028	63.6
95.04955	7.3
95.08587	33.3
97.02903	1.6
97.06513	13.7
97.10149	17.4
101.25255	1.4
105.07013	20.3
107.08582	48.5
109.06472	1.9
109.10146	20.9
117.07002	8.3
119.08578	18.4
121.10137	14.9
123.11674	2.8
131.08569	2.5
133.10132	8.4
135.08032	2.3
135.11682	54.8
142.07721	2.1
143.08559	2.1
145.10110	17.8
145.97522	1.8
147.11661	2.3
157.10048	2.4
159.11667	3.4
163.11130	8.0
181.12230	10.1
191.67465	1.5
192.56828	1.6
197.13274	1.8
255.15880	100.0
313.27304	52.0
388.68213	1.9
491.55368	2.1
493.38809	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	692.3845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.2
53.03929	2.7
55.01629	1.1
55.01866	22.7
55.05504	43.2
57.03426	38.5
57.07059	6.3
59.04990	1.5
61.02911	17.4
65.03931	1.2
67.05489	82.1
69.03416	13.8
69.07052	27.8
71.04980	8.2
73.02890	12.3
73.24231	1.3
74.49595	1.0
79.05472	64.7
81.03403	19.5
81.07037	98.8
82.04188	8.4
83.04967	18.3
83.08605	26.0
84.02121	1.1
85.02872	13.2
85.06527	7.0
91.03898	2.1
91.05457	50.3
93.07018	68.3
95.04939	24.0
95.08577	27.2
97.02854	8.7
97.06506	20.1
97.10144	20.5
98.06734	1.2
98.07280	9.0
99.04443	1.8
99.08058	2.2
105.04472	1.4
105.07016	22.4
107.04911	6.6
107.08567	45.2
109.06493	7.1
109.10133	16.2
111.04414	1.6
111.08083	11.3
113.06012	1.4
116.04677	23.5
117.06987	17.8
119.08572	12.4
121.06469	6.5
121.10109	17.5
123.08007	6.7
123.11665	4.4
125.09606	22.7
129.04520	2.6
129.05455	63.2
129.06981	4.8
131.08548	17.8
133.10103	22.2
135.08012	6.4
135.11662	15.2
137.09555	2.2
143.06985	12.4
145.10106	5.0
147.11696	8.4
149.09572	5.8
149.13213	21.4
151.11128	1.8
153.09061	1.6
157.08563	24.0
157.10062	6.1
158.05722	1.2
159.11646	9.5
163.11140	4.6
165.12712	1.1
171.06467	5.5
171.10066	8.5
173.11711	2.4
175.11134	2.2
177.12692	5.2
185.08044	1.4
189.11177	8.3
193.12231	6.6
195.13776	14.4
199.13222	12.9
200.14061	2.0
201.14844	1.6
209.11693	7.1
221.80675	1.1
227.12804	8.7
255.15805	4.6
267.15976	10.9
269.17413	66.6
269.20248	2.4
274.83307	1.4
280.59961	1.3
283.15356	9.7
301.16385	68.2
323.18524	2.5
337.23422	1.3
351.21475	2.1
393.26303	5.7
403.49677	1.2
411.27295	10.7
423.21927	1.9
423.27267	28.2
452.76245	1.3
461.28952	4.3
477.28439	13.0
478.29050	5.9
495.29425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.95892	0.3
55.05485	1.4
60.28752	0.3
67.05489	3.2
69.07047	0.7
71.61047	0.3
79.05457	0.6
81.07037	6.3
83.04946	0.7
84.77503	0.4
91.05479	0.9
92.08730	0.5
93.07045	1.8
95.08578	3.5
97.02879	0.4
105.07004	0.9
107.08565	2.4
109.10145	8.2
115.44512	0.4
119.08576	2.7
121.10105	1.6
123.08047	0.6
123.11670	3.6
127.11092	0.4
133.10101	0.5
135.11641	0.6
137.09596	11.9
139.03825	0.4
147.11644	0.5
149.09607	1.7
149.13266	0.4
151.07504	0.6
163.11079	0.5
165.09074	100.0
166.09436	0.9
173.13263	0.4
177.09076	0.5
203.10587	0.5
205.12219	4.3
217.19455	0.6
235.20506	1.7
272.32956	0.4
279.42065	0.4
305.24844	0.5
439.32056	4.4
457.33005	8.9
475.34271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.442
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81714	0.3
55.05484	0.5
60.67477	0.3
67.05493	3.5
68.04479	0.3
69.03429	0.4
69.07041	2.2
71.04993	0.3
73.87479	0.3
79.05486	0.6
81.07037	6.8
83.04958	0.5
85.02878	0.6
91.05433	0.5
93.06999	0.7
95.04941	0.4
95.08583	2.9
100.50490	0.3
105.07029	0.7
107.08585	1.7
109.06496	0.6
109.10133	5.2
110.36121	0.3
117.07030	0.3
119.08565	3.5
121.10091	1.3
122.07239	0.6
123.11649	3.9
135.11678	1.5
137.09592	10.2
137.13156	0.4
147.11688	0.6
149.09573	1.8
161.54044	0.4
165.09084	100.0
166.09425	1.5
179.03404	0.4
187.13087	0.4
203.10593	0.5
205.12201	4.9
217.19440	0.5
223.13345	1.6
228.37869	0.3
232.18921	0.3
235.20476	0.6
305.24634	1.3
439.31818	3.0
457.33145	7.9
560.23999	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.4699
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07057	0.6
60.08150	10.4
63.71768	0.6
67.05497	1.2
69.07049	1.1
71.07346	3.0
72.62751	0.8
79.05460	1.1
81.07038	2.4
86.09689	46.6
93.07016	1.0
95.08569	1.1
98.98427	4.9
104.10727	2.6
105.07012	1.2
107.08566	1.4
119.08537	0.7
124.99982	38.6
133.10133	0.7
184.07303	100.0
244.80112	0.7
283.60043	0.6
351.06082	0.6
372.24051	0.7
690.46753	12.2
698.84082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34525	0.8
53.03927	2.3
55.01855	8.5
55.05503	20.1
55.46131	1.1
57.03426	16.5
57.99249	0.9
58.67962	0.9
59.04976	1.7
61.02907	5.3
67.05486	22.3
69.03400	5.3
69.07050	6.4
71.04961	5.4
75.91816	1.0
79.05467	30.3
81.03392	56.4
81.07027	28.4
83.01309	7.3
83.04964	23.8
83.08598	22.7
85.02881	26.3
85.06508	2.0
91.04887	1.3
91.05453	29.9
93.07016	31.5
95.04935	26.1
95.08559	12.1
97.02872	6.4
97.06507	7.1
97.10120	4.9
100.44019	1.1
105.04451	1.2
105.07004	20.7
107.04939	9.8
107.08577	15.2
109.06514	8.5
109.10133	2.2
111.04453	1.8
111.08092	8.2
113.05984	1.5
117.07007	6.2
119.08558	22.3
121.06483	4.5
121.10099	14.8
123.08015	7.1
129.06990	10.2
131.08549	10.4
133.06499	1.5
133.10092	11.0
135.08029	2.2
135.11687	8.2
137.09583	1.5
142.07738	1.5
145.10106	10.8
147.07979	4.3
147.11674	10.8
149.09572	4.6
157.10121	10.6
163.11142	20.2
165.12701	2.2
173.09576	2.6
175.11125	13.4
176.80632	1.3
193.12184	30.1
209.11655	4.1
211.13235	35.5
227.12788	2.1
231.13942	1.0
258.23126	1.0
267.13354	1.2
267.15793	8.5
274.40076	1.1
283.15295	37.5
285.16885	28.5
336.01367	1.2
349.17099	1.1
368.83200	1.2
457.25586	2.0
475.26788	13.0
493.27826	100.0
680.34003	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06012	0.6
53.03933	1.0
53.61362	0.7
55.01859	6.9
55.05506	18.6
56.87150	0.7
57.03429	17.2
57.07060	1.6
59.04987	1.9
61.02913	6.3
67.05147	1.0
67.05494	29.1
67.30180	0.8
69.03413	3.4
69.07056	14.5
71.04968	4.2
71.36127	0.9
73.02878	3.4
79.05477	28.7
81.03404	9.5
81.07040	79.9
83.01312	8.0
83.04965	15.0
83.08596	15.6
85.02419	0.8
85.02880	7.1
85.06518	4.9
91.03914	1.3
91.05459	27.6
92.36956	0.8
93.07024	29.3
95.04951	10.6
95.08583	20.7
97.02861	3.3
97.06495	7.8
97.10103	1.5
99.04423	1.8
99.08083	2.0
103.05414	1.0
105.07011	34.1
107.04953	10.1
107.08584	19.5
108.08931	0.8
109.06497	12.0
109.10138	3.5
111.04430	3.5
111.08052	3.5
117.06973	6.2
119.08557	31.7
121.06474	2.0
121.10117	25.8
123.08071	13.4
123.11685	25.8
125.05964	1.8
125.09459	0.8
127.03915	0.9
127.07525	3.5
129.05440	1.2
129.06969	4.1
131.08578	2.7
132.28152	0.9
133.10126	6.1
135.11670	8.2
137.09578	3.2
137.13208	1.5
143.08492	1.0
145.06502	1.3
145.10092	10.0
147.08023	3.2
147.11673	55.4
149.09575	1.7
153.12706	1.5
155.08597	1.1
157.10095	4.5
162.58946	0.8
163.11147	22.4
165.12717	19.2
173.09561	4.4
175.11172	1.6
181.12216	1.5
183.13864	1.0
190.48857	0.9
191.10622	1.5
193.12175	3.1
209.11661	5.1
214.03699	0.8
227.12697	3.2
229.14386	1.4
267.15866	57.1
269.17392	1.4
283.15353	57.4
285.16891	36.2
301.16278	1.2
353.87735	0.9
396.79663	0.8
461.28903	1.8
475.26871	1.5
493.27872	100.0
494.28470	1.2
597.16595	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.5
53.03933	3.4
55.01857	5.2
55.05500	18.3
57.03426	16.0
57.07059	0.7
61.02913	3.5
65.03906	0.7
67.05489	28.7
69.03398	4.7
69.07052	8.8
71.04977	6.4
71.88297	0.6
71.88712	0.6
73.02898	3.0
79.05471	37.4
81.03394	45.4
81.07037	36.1
82.27058	0.6
83.01311	1.5
83.04962	16.8
83.08601	24.9
85.02889	24.0
85.06527	3.0
91.03959	0.9
91.05457	28.1
93.07018	42.7
95.04943	26.2
95.08580	36.2
97.02902	6.2
97.06506	5.5
97.10155	3.0
99.04440	3.2
99.08070	0.8
103.05439	1.0
105.04468	0.9
105.07008	24.7
107.04931	18.7
107.08570	27.2
109.06499	7.3
109.10162	4.0
111.04417	3.6
111.08048	7.1
113.05997	3.2
114.36812	0.7
115.05441	0.9
117.06989	9.0
119.08556	25.8
121.06503	8.7
121.10120	19.2
123.08064	3.5
123.11650	1.0
125.05947	2.8
125.09584	1.1
127.07545	0.9
129.06960	9.5
130.07797	1.0
131.08537	10.1
133.06477	2.6
133.10110	10.2
135.08067	2.3
135.11667	45.6
137.09605	1.5
139.07567	0.8
142.07759	1.4
143.08507	1.0
145.06389	0.8
145.10101	30.4
147.08026	2.5
147.11652	10.3
149.05922	0.9
149.09595	5.9
153.12704	0.9
155.90733	0.6
157.10085	11.3
163.11150	52.7
165.12730	2.7
167.06976	1.6
173.09645	1.1
175.11116	9.2
181.12190	10.1
193.12209	27.5
200.38086	0.7
203.24632	0.8
209.08060	1.0
209.11728	0.9
211.11467	1.0
211.13251	28.0
227.10477	1.4
227.12735	46.2
267.15863	18.0
283.15320	47.7
285.16907	31.2
315.47266	0.7
457.25589	1.0
475.26706	21.9
493.27875	100.0
494.28177	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	690.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.2
55.01859	8.9
55.05233	0.8
55.05500	22.5
57.03425	18.0
57.07064	0.7
59.04979	3.4
60.07751	0.5
61.02911	6.4
67.05137	1.2
67.05486	24.5
69.03407	5.2
69.07044	8.2
71.01351	0.8
71.04973	6.3
73.02894	1.3
79.04998	0.7
79.05470	29.7
81.03395	53.6
81.07032	31.8
82.56710	0.5
83.01318	8.4
83.04961	22.3
83.08595	26.7
83.18291	0.5
85.02888	25.8
85.06516	2.2
85.69138	0.5
91.03936	2.6
91.05450	31.2
93.07016	30.8
95.04942	24.4
95.08575	14.8
97.02855	7.4
97.06529	5.9
97.10127	4.3
99.04421	2.6
99.08067	0.7
104.41268	0.5
105.07004	24.6
107.04926	12.1
107.08566	16.5
109.06498	8.6
109.10137	4.1
111.04404	4.3
111.08057	6.9
113.05975	1.0
115.05391	0.8
116.50570	0.5
117.06970	6.9
119.08541	22.0
121.06474	5.0
121.10117	12.2
123.08035	8.8
123.11690	1.2
123.56841	0.6
125.05949	1.1
125.09588	1.1
127.32585	0.5
128.06113	0.6
129.06964	9.6
130.07722	1.1
131.08536	11.7
133.06447	2.2
133.10109	7.6
135.08038	1.0
135.11653	9.2
137.09598	3.1
139.07567	0.7
142.07745	2.4
143.08485	0.7
145.10101	13.1
147.08011	3.7
147.11658	13.0
149.09570	6.5
151.11163	0.8
153.12683	1.4
155.08530	0.9
157.10114	10.3
163.11147	21.4
165.12709	2.5
173.09549	1.3
175.11143	11.0
181.12169	1.0
191.10667	2.4
193.12201	27.5
201.08334	0.7
209.11612	3.9
211.13239	31.8
227.12738	1.2
249.14830	0.6
267.15805	7.1
283.15338	44.4
285.16870	24.9
306.53098	0.7
323.23880	0.7
383.21967	0.8
429.33310	0.9
457.25604	4.4
475.26926	15.2
475.33588	2.0
493.27853	100.0
494.28220	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3898
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.3
53.70012	0.6
54.36189	0.6
54.45898	0.6
55.01858	4.1
55.05231	0.9
55.05502	26.0
57.03427	18.5
58.71503	0.7
61.02916	3.1
65.03934	1.4
67.05488	56.6
69.03415	4.9
69.07048	13.6
71.04953	6.2
73.02904	1.8
73.06510	0.9
74.81235	0.7
75.29499	0.7
76.66027	0.8
78.12973	0.8
79.05470	78.0
81.03397	73.6
81.07034	54.4
83.04961	25.6
83.08595	25.6
85.02884	23.3
85.03355	1.3
85.06512	3.7
91.03944	1.3
91.05457	69.6
93.07016	62.2
95.04942	46.1
95.08578	26.3
97.02859	6.0
97.06519	5.3
97.10155	4.6
99.08101	1.4
101.05996	0.8
105.04493	1.2
105.07007	59.2
107.04930	13.0
107.08569	19.5
109.06499	10.3
109.10151	6.4
111.04428	1.1
111.08063	9.5
113.05997	4.0
115.05444	1.8
115.58672	0.7
117.06992	8.6
119.08547	39.0
121.06492	3.5
121.10123	12.1
123.08017	5.2
123.11676	1.5
125.09604	0.9
127.07529	1.1
128.06178	1.6
129.06972	24.8
131.08525	16.3
133.06503	3.7
133.10101	19.2
135.08009	1.1
135.11646	1.3
137.09573	3.3
141.06987	0.9
142.07753	1.5
143.08536	8.6
145.10115	10.7
147.08044	6.5
147.11662	41.3
149.09584	6.0
157.10086	14.6
161.09602	4.4
161.13249	8.1
161.32866	0.8
163.11186	1.1
165.12756	4.6
171.11646	15.6
175.11143	13.2
189.12688	5.5
193.12198	35.8
193.13950	1.6
194.87202	0.7
207.13737	12.4
211.13235	26.8
216.48988	0.8
229.81821	0.8
249.14706	0.8
267.15860	32.4
281.17389	39.0
285.16882	26.2
306.54581	0.9
316.50565	0.8
369.07535	0.9
473.28864	100.0
474.29025	1.8
476.32150	0.8
491.29950	78.4
492.30115	1.0
498.56454	0.8
652.95935	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41550	0.7
53.03942	1.2
53.70536	0.9
55.01641	0.8
55.01864	9.5
55.05504	15.9
57.03425	13.5
59.04997	1.7
61.02916	1.9
65.03918	1.2
67.05490	21.5
68.73399	0.7
69.03413	1.5
69.07066	8.2
71.04979	6.8
73.02892	1.5
75.42660	0.7
79.05472	31.7
81.03394	13.1
81.07037	27.3
83.01315	10.7
83.04967	12.6
83.08599	17.0
85.02888	6.9
85.06523	2.0
91.05462	18.1
92.64242	1.0
93.07021	47.0
95.04945	13.2
95.08580	34.2
97.02872	4.8
97.06519	7.1
97.10162	1.8
99.04439	4.6
103.05470	1.3
105.07005	15.4
107.04931	13.9
107.08578	31.6
109.06509	8.8
109.10151	4.2
111.04437	4.0
111.08052	1.0
115.05507	0.9
117.06990	12.9
119.08548	16.8
121.06509	8.3
121.10131	17.4
123.07996	7.6
125.05991	3.9
125.09655	0.9
128.06261	1.2
128.07373	1.0
129.07013	3.5
130.07796	1.8
131.04919	1.1
131.08539	4.9
133.10110	5.3
135.08067	4.0
135.11665	49.4
137.09596	1.3
139.07477	1.9
142.07722	1.3
143.08554	1.8
145.06497	1.4
145.10106	38.1
145.11217	1.5
147.07997	1.7
149.09608	1.5
153.12706	3.5
155.08543	1.6
157.10120	1.2
163.11151	63.7
165.09048	1.5
169.10109	0.9
171.22292	0.8
173.09563	3.6
181.12228	9.5
191.10730	1.5
196.68024	0.9
209.11635	6.0
227.12727	39.2
258.74112	0.9
283.15344	100.0
284.15796	1.1
303.02905	1.0
313.42578	0.9
384.74991	1.0
491.26282	96.4
492.26785	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	688.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72696	0.8
53.03926	2.1
53.83545	0.7
54.81242	0.9
55.01867	11.4
55.05263	1.4
55.05503	22.7
57.03429	18.6
57.07055	1.2
59.04994	1.4
61.02905	6.2
62.30970	0.9
64.24678	0.8
66.90834	0.8
67.05495	15.2
69.03431	1.3
69.07041	4.8
71.04973	4.6
73.02897	2.0
73.48385	0.8
75.88266	0.8
79.05479	22.6
81.03407	11.5
81.07039	21.2
81.19808	0.8
83.01328	17.9
83.04966	14.8
83.08591	14.9
85.02881	9.9
91.03938	2.0
91.05468	15.2
93.07024	31.9
95.04939	8.5
95.08576	7.7
97.02873	5.8
97.06490	5.4
97.10177	1.1
99.04427	4.9
105.07028	10.5
107.04922	12.0
107.08580	18.8
109.06517	10.3
109.10145	3.7
111.04412	4.0
111.08070	1.0
117.06990	10.4
119.08559	11.5
121.06458	2.0
121.10137	11.8
123.08061	12.4
125.05984	1.1
129.06993	1.3
130.07701	1.0
131.08530	3.8
133.10120	1.6
135.08051	1.9
135.11684	14.7
137.09583	1.2
145.10100	20.5
149.09637	1.3
153.12689	3.9
155.08546	1.5
158.07256	1.0
163.11145	33.9
173.09576	4.1
181.12187	4.7
191.10582	2.2
209.11737	7.3
227.12756	5.0
257.97177	1.0
283.15344	100.0
291.66763	0.9
332.56693	1.0
436.60632	1.0
491.26328	53.8
492.26501	1.2
500.73984	1.1
553.62219	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	687.3493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.3
53.56561	0.2
55.05508	0.6
57.07071	0.3
67.05499	0.7
69.03429	0.3
69.07038	0.6
76.12274	0.2
79.05462	0.5
81.03391	1.1
81.07027	1.2
84.04484	6.9
84.07614	0.3
84.08125	9.3
86.09686	48.1
86.56151	0.3
91.05464	2.1
93.06998	2.1
95.04949	1.1
95.08566	0.3
96.08121	0.3
103.05428	5.6
105.06998	1.6
109.10106	0.3
111.05577	0.3
112.07561	0.5
114.88989	0.3
117.05735	0.4
117.06950	0.3
118.06509	3.4
119.08544	1.1
120.08075	100.0
121.08392	0.6
124.07556	0.3
129.06885	0.5
130.06488	6.0
131.11745	0.5
132.08064	2.8
139.04985	2.2
140.14331	0.6
142.06516	0.4
143.07304	0.6
144.08076	4.0
146.05978	10.6
146.09605	0.6
148.11165	0.3
150.09113	0.4
152.14246	0.3
156.08061	0.6
157.07657	0.4
157.08746	1.9
158.08356	2.4
158.09608	1.0
159.09140	7.2
167.07153	0.5
167.11748	1.4
168.08043	1.2
169.06117	0.4
169.07538	0.7
169.08864	1.0
170.06047	0.7
170.09601	11.8
170.15260	0.4
171.10355	0.4
172.11163	7.3
175.08611	0.6
180.13924	0.3
181.08820	2.5
182.09589	2.2
183.09007	1.9
183.10477	1.1
184.11197	21.4
185.11957	17.1
186.12756	8.6
188.07033	9.7
195.11229	5.7
196.11197	9.3
197.10530	0.4
197.12097	0.5
197.16418	0.5
198.12764	5.5
200.10678	11.2
205.09691	2.3
211.12218	0.6
212.13074	0.4
213.13824	14.1
214.12169	1.3
215.15366	1.4
223.10704	1.2
224.10637	1.7
225.13852	0.4
226.14438	0.3
233.16428	4.0
234.12628	0.5
235.12230	0.4
242.11699	52.1
243.12082	0.5
244.11160	0.7
254.14777	0.3
259.14355	58.2
260.14786	1.2
261.13690	0.4
261.15948	4.2
280.20035	0.4
304.69241	0.3
307.14169	0.4
308.19568	3.2
315.18402	0.4
317.20020	1.1
336.19318	3.9
352.16418	2.1
360.20422	0.6
361.18918	0.4
363.17984	1.1
381.19351	0.3
401.21793	2.6
406.21173	24.2
409.18375	0.5
427.19711	3.3
429.21173	1.6
455.26352	1.3
465.24731	1.3
483.25772	1.7
519.29535	13.0
520.29852	0.4
540.28412	0.3
613.34918	0.5
641.34271	7.3
642.33466	0.4
643.35034	0.5
659.35504	2.8
669.33313	0.5
687.34906	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	686.5406
Annotation	Unknow
Peak:m/z	Relative Intensity
54.08255	4.1
55.05503	8.6
57.07063	55.6
62.26427	4.2
67.05495	4.7
69.07045	10.4
71.08605	56.1
73.06528	9.6
78.11328	5.0
81.07063	6.2
85.10162	29.2
89.06015	100.0
95.04994	5.3
95.08624	6.7
97.10118	7.7
133.08574	44.1
177.11235	23.4
184.64813	4.6
221.13774	5.7
265.16556	5.4
399.57443	6.8
669.50848	23.3
686.54529	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	687.2098
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17520	0.3
65.60497	0.4
85.02895	0.5
86.51269	0.4
116.09068	0.4
122.54301	0.4
139.03862	0.7
177.01588	2.1
185.04182	2.4
192.03885	18.0
193.04691	6.4
324.08112	3.1
325.08548	0.6
355.09888	100.0
604.95374	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4319
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	11.3
57.03427	6.5
57.07069	67.6
61.02916	25.6
63.62006	0.9
67.05182	1.4
67.05499	19.3
69.03418	2.1
69.07051	10.3
71.08616	55.8
73.02904	9.6
75.04455	2.0
79.05479	1.8
81.03391	1.8
81.06592	1.5
81.07040	25.8
83.08601	19.4
83.90447	0.8
84.88085	0.9
85.02898	26.7
85.09708	1.7
85.10172	27.7
89.06026	1.5
91.03951	18.6
91.05453	0.9
92.08646	2.4
93.07012	1.7
95.08010	1.5
95.08587	39.4
97.02887	12.2
97.10158	12.7
99.11713	1.5
105.07040	1.4
109.02917	1.0
109.10150	21.7
111.11703	3.8
123.11680	8.7
127.03901	5.2
137.13243	4.1
142.72635	0.9
145.04951	4.4
163.05975	9.3
168.30121	0.9
204.81613	1.0
235.24294	1.2
236.83922	1.0
253.25198	16.1
271.26196	4.7
327.28885	100.0
328.29254	1.7
339.43143	1.0
345.25854	2.0
345.29935	46.4
394.14902	0.9
407.20401	1.1
407.26065	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.4028
Annotation	Unknow
Peak:m/z	Relative Intensity
54.54586	1.8
54.81398	2.0
55.05508	16.6
55.05743	1.8
57.03414	4.9
61.80808	2.0
67.05486	36.5
69.07051	10.8
71.05003	2.8
74.67611	2.3
79.05468	34.8
81.03408	16.0
81.07043	39.0
83.04965	3.1
83.08607	5.4
85.02870	5.5
87.96495	2.1
91.05464	36.8
93.07030	39.3
95.04958	13.4
95.08604	20.4
97.06528	2.7
103.27634	2.1
105.07008	21.1
107.08546	16.6
109.10149	12.8
111.08019	2.6
114.36489	2.2
117.07041	3.6
119.08540	9.9
121.10113	14.9
123.08047	3.4
123.17894	2.5
129.06975	9.2
129.76823	2.5
131.08508	16.8
133.10139	10.2
145.28525	2.3
147.11665	4.8
149.02280	2.4
149.09546	2.8
157.10077	4.2
161.13245	3.0
162.10890	2.5
173.33809	2.7
193.05035	2.1
193.12146	11.8
218.15286	2.4
236.16412	2.9
269.75589	2.4
545.38232	100.0
639.93927	2.6
686.38000	4.6
702.44379	2.6
713.08282	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.3744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.4
55.01860	6.4
55.05507	17.6
57.03430	7.7
59.04971	0.9
61.02888	1.3
65.03935	1.1
67.05493	34.6
69.03412	1.1
69.07056	9.4
71.04971	3.4
72.24424	0.9
73.02253	0.8
79.05475	56.5
81.03399	10.1
81.07040	38.5
83.01321	6.1
83.04967	17.3
83.08591	8.9
85.02890	3.6
91.05462	42.1
93.07024	56.7
93.76487	1.0
95.04948	16.3
95.08590	21.0
97.02870	2.0
97.06496	5.5
97.10128	2.0
98.16608	0.9
99.04480	1.0
105.04515	1.4
105.07012	29.7
107.04942	10.9
107.08585	18.0
109.06503	7.7
109.10152	3.5
111.04425	1.6
111.08058	1.2
117.07004	9.9
119.08558	20.9
121.06487	4.6
121.10132	8.4
123.08052	9.6
125.09579	1.5
127.07526	1.0
128.06230	1.7
129.06992	13.9
131.08511	4.6
133.10147	7.4
135.08034	1.2
135.11629	8.1
137.09517	1.0
143.08557	8.2
145.10104	13.0
147.08049	2.0
147.11685	22.8
149.09665	1.0
153.12753	1.1
154.14551	0.8
156.09315	1.3
159.11679	1.5
161.09550	1.8
161.13225	7.1
163.11130	15.6
171.11658	14.6
173.09604	0.9
180.62303	0.8
181.12276	1.1
189.12709	5.0
191.10780	1.9
196.85315	0.7
197.06273	0.8
207.13820	9.4
222.20023	0.9
227.12762	1.0
265.14255	1.1
281.17389	36.5
283.15393	25.7
304.26413	1.1
372.29477	1.0
471.27365	7.2
489.28372	100.0
490.28659	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.4516
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68544	0.9
52.76648	1.3
53.03934	5.1
54.81732	1.2
55.05503	19.5
56.88399	1.2
57.03429	17.9
57.07066	46.5
57.27180	1.1
58.38481	1.1
63.73376	1.1
65.87918	1.2
67.05486	27.7
69.03407	10.3
69.07047	14.6
71.04955	2.6
71.08620	25.7
76.81918	1.5
78.01421	1.3
79.05473	15.7
81.03397	77.6
81.07038	32.3
83.04962	25.6
83.08602	26.4
85.02883	15.2
85.06537	2.2
85.10174	14.9
91.05454	21.4
93.07036	12.5
93.69489	1.6
95.04948	21.7
95.08579	27.9
97.02862	14.2
97.06516	1.4
97.10117	8.3
99.04411	2.0
105.07011	16.9
107.04916	5.5
107.08574	6.7
109.02848	8.0
109.06500	6.4
109.10131	13.2
111.04394	6.5
111.08054	7.7
119.08527	14.6
121.06459	2.1
121.10094	6.8
123.08012	2.7
123.11720	1.7
124.87678	1.3
127.03905	2.4
129.05452	2.2
129.06972	7.9
131.08583	10.0
133.10085	5.6
135.40623	1.3
142.07751	1.9
145.10062	2.1
147.11685	12.3
149.09566	3.0
153.12732	1.6
157.10114	10.4
163.11093	1.6
165.12656	1.5
175.11139	10.5
181.12244	1.6
193.12201	37.4
211.13260	34.4
211.15054	2.2
214.52249	1.4
229.14456	2.4
239.23711	1.6
267.15967	9.9
285.16821	6.7
313.27249	43.4
355.17416	1.9
429.21146	17.7
505.38812	12.4
523.39838	100.0
524.39978	2.8
667.44000	23.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	686.2653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.1
57.03432	0.6
69.03415	3.6
70.06588	0.9
72.24105	0.4
73.02901	0.5
75.25495	0.5
75.77895	0.3
77.47028	0.4
79.05461	0.4
81.03393	2.8
85.02420	0.5
85.02892	7.3
87.00807	2.5
91.05475	1.0
94.65319	0.4
95.18990	0.4
97.02864	3.6
98.31871	0.5
99.04417	1.0
99.92043	0.4
100.64895	0.5
105.01847	0.9
105.06987	0.7
107.04922	1.7
108.96724	0.4
109.02865	3.1
110.93866	0.5
115.05447	1.0
117.06969	0.8
121.10227	0.4
127.03902	3.4
128.06181	2.1
129.06981	6.5
131.08545	6.9
133.06461	1.0
141.06958	2.8
143.08543	2.2
144.05687	3.5
145.04881	0.6
145.06462	3.1
145.10065	0.4
146.07220	1.6
147.07996	0.6
153.06856	1.3
156.05684	0.6
157.06459	3.4
158.07242	2.2
159.02867	1.0
159.08032	15.1
161.05954	0.6
161.09575	3.5
167.06981	0.9
169.07597	1.6
170.07242	2.7
171.08064	3.1
172.05136	0.8
173.05983	1.8
173.09564	0.9
174.06711	0.8
175.07558	1.8
178.06285	0.6
181.08601	0.5
186.06799	0.5
187.07536	11.8
188.08310	0.6
189.09071	6.0
191.07005	0.7
192.07828	0.8
198.06796	0.7
199.07487	0.9
201.09093	2.0
203.07027	2.0
204.07784	7.0
205.08604	0.6
216.07767	2.3
217.08669	0.6
219.10165	3.2
221.08156	0.5
221.11673	2.3
231.10115	4.3
233.11627	7.1
244.56833	0.5
249.11168	100.0
250.11562	0.7
251.12686	3.1
267.12186	3.4
497.16617	3.0
500.18439	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	684.3949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.4
53.55373	0.8
55.01864	1.7
55.05505	16.8
56.29502	0.8
57.03436	8.1
57.03662	0.8
65.03911	1.2
67.05143	1.9
67.05495	47.6
67.32973	0.9
67.40991	0.9
69.03408	1.5
69.07060	9.6
71.04961	1.9
73.06535	2.1
79.05476	63.5
81.03384	9.3
81.07037	36.8
81.07479	2.2
83.04962	13.2
83.08593	6.5
84.09465	1.3
85.06533	2.5
91.05460	55.6
92.93882	1.0
93.07024	59.6
95.04945	23.1
95.08575	29.3
97.02870	1.1
97.06499	4.8
97.10151	4.4
102.89265	1.0
105.07017	37.1
107.04935	7.6
107.08591	15.4
109.06501	4.6
109.10138	5.9
115.05388	1.2
117.06992	8.6
119.08562	25.9
121.06469	2.6
121.10129	5.1
123.08035	4.0
129.06989	12.4
131.08539	5.5
133.10115	8.7
135.11670	1.4
143.08549	9.8
145.10104	11.0
147.07985	1.2
147.11665	28.5
161.09549	4.3
161.13214	7.5
163.11142	1.7
171.11665	22.6
189.12764	7.1
207.13802	14.0
281.17401	36.2
295.59543	1.1
469.29611	1.7
487.30475	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	685.435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80714	1.2
53.32204	1.2
75.71138	1.3
87.34741	1.6
114.87490	1.3
118.71291	1.2
128.45102	1.5
139.77469	1.5
255.49060	1.3
645.59100	1.7
685.43756	100.0
685.55316	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	683.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14918	0.5
55.01869	0.8
55.05500	1.0
57.03426	3.2
57.07043	0.8
61.02916	6.2
63.42493	0.5
67.05486	1.7
69.03421	1.7
69.07053	1.1
71.04988	0.9
73.02902	3.6
74.36669	0.6
79.05479	2.9
79.54674	0.6
81.03382	2.8
81.07046	2.8
83.01089	0.8
83.04969	1.2
83.08598	1.0
85.02889	5.7
91.03935	3.8
91.05429	0.9
93.07038	3.6
95.04982	1.3
95.08571	0.9
97.02881	4.4
97.06489	1.1
101.02338	1.3
107.08606	1.7
109.10194	0.8
111.99443	0.6
117.05477	1.5
119.08519	0.7
121.85113	0.6
127.03927	0.9
129.05484	1.6
135.11703	3.5
145.04973	0.8
163.11279	0.7
185.04176	5.4
185.11725	0.8
190.46635	0.7
199.02188	0.8
221.11426	5.1
243.08395	4.1
247.13013	2.8
261.14600	1.1
291.10577	0.9
291.15500	0.8
301.08890	16.0
315.10602	4.8
315.45413	0.8
319.15106	5.8
327.10284	0.9
337.15964	1.1
357.15399	1.2
365.15723	4.6
369.15088	3.5
373.10916	12.8
383.16971	1.0
385.18231	9.2
387.12396	1.0
403.24411	2.8
411.19708	1.2
429.17160	10.5
439.19366	14.8
455.18777	4.6
457.20480	1.3
469.20343	1.7
470.21158	1.3
475.16199	0.8
498.20795	1.4
511.21338	12.5
513.26691	2.6
525.23065	1.7
539.24969	1.2
581.29431	4.7
582.29553	1.0
665.31702	1.0
682.34613	3.8
683.32404	100.0
684.32635	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.4289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38898	1.2
54.81426	1.3
55.05502	3.7
57.03408	2.0
57.07069	20.7
67.05479	13.1
67.12636	1.4
69.07053	7.7
71.08604	16.2
79.05481	6.8
81.03388	39.4
81.07034	12.6
83.04998	1.8
83.08592	11.8
85.10200	4.6
91.05453	8.3
93.07021	2.4
95.04951	13.0
95.08596	11.9
97.10224	1.4
105.07000	3.9
109.10139	7.6
117.66513	1.6
119.08546	2.7
121.10098	6.3
129.07004	2.6
131.08583	2.4
142.72409	1.7
147.11682	2.6
157.10136	3.1
175.11156	2.2
193.12227	6.5
195.52499	1.7
236.16351	7.9
267.15915	1.9
282.04810	2.0
493.30649	1.6
505.38739	100.0
619.57605	1.7
682.46191	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	683.1786
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96549	0.4
82.70178	0.4
84.07068	0.3
98.97588	0.6
113.05983	0.8
116.98534	0.4
123.62869	0.4
151.03871	4.7
155.07014	2.2
169.04881	0.9
179.03415	0.6
185.04161	5.5
191.03104	61.5
209.04204	1.8
237.02704	0.8
343.28339	0.4
347.51950	0.4
353.08353	100.0
354.08560	0.4
369.11411	0.5
383.09586	0.9
521.09442	0.5
549.83484	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	683.3027
Annotation	Unknow
Peak:m/z	Relative Intensity
53.35612	0.8
55.05500	1.3
67.05483	1.5
73.02882	0.8
76.65641	1.0
79.05485	1.6
79.35005	0.9
81.03388	4.4
81.07037	4.3
91.05466	1.5
93.07005	2.4
95.04940	1.5
95.08631	1.1
97.00061	1.0
97.02856	1.0
99.04445	1.1
106.07373	1.1
107.04922	1.2
109.10152	1.3
119.08582	1.6
121.06516	1.3
135.11629	1.1
145.10031	1.4
159.11685	1.1
535.49988	1.3
683.30249	100.0
684.31012	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	682.2341
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38360	1.7
52.96061	1.4
53.03937	2.9
55.01856	6.9
55.05496	2.6
57.03439	1.6
59.75964	1.2
61.02911	5.8
68.60228	1.3
68.99787	2.2
69.03422	17.1
71.04967	1.6
71.47203	1.2
73.02888	3.1
81.03391	16.0
81.07027	2.5
85.02895	46.7
87.00812	15.9
93.07014	1.5
95.08607	1.3
97.02879	18.0
99.04444	8.8
100.11211	10.1
101.11604	1.8
104.35801	1.4
105.01853	8.5
107.04941	100.0
109.02840	14.0
111.04433	2.1
121.06476	6.3
121.10040	2.1
123.04445	2.0
127.03896	24.8
139.03893	1.5
145.04919	7.5
145.06458	1.7
145.23140	1.7
147.02985	1.6
147.04379	2.9
149.05957	11.2
154.77824	1.5
159.02872	8.7
161.06001	2.2
173.05838	1.8
183.15633	1.6
189.03931	2.1
210.14839	2.5
231.04906	3.4
255.10114	14.2
266.80923	1.8
267.10056	1.9
279.10052	2.5
297.11176	11.8
321.10992	3.2
331.15363	8.2
345.11050	1.7
363.12161	2.1
467.13147	2.2
681.51617	13.1
682.51978	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	682.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.3
54.14946	0.3
55.01846	0.8
55.05500	0.4
57.03422	0.7
61.02905	1.9
65.03919	4.2
67.05499	0.5
68.99779	1.6
69.03418	3.6
73.02892	0.3
81.03390	1.5
83.01301	0.3
83.04958	3.5
85.02880	11.6
91.03958	0.5
93.03375	1.7
97.02879	4.4
99.04393	0.7
109.02865	1.2
111.04417	33.3
121.03972	2.2
127.03880	2.1
139.03870	100.0
140.07016	0.5
145.04916	2.1
156.04099	2.8
163.03812	0.3
170.85506	0.4
171.06476	96.9
172.06798	0.5
180.08612	2.0
228.12270	0.5
234.02562	0.3
237.07799	0.4
257.15643	0.4
333.11609	1.8
350.14230	0.5
421.25238	0.4
515.27411	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	681.3452
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.4
55.01858	0.5
55.03941	0.3
55.05500	1.8
57.03428	3.3
61.02918	6.3
65.03922	0.3
67.05489	5.1
69.03416	3.0
69.07055	2.0
71.04964	1.2
73.02899	4.1
75.04496	0.3
79.05478	4.2
81.03398	4.3
81.07040	5.7
83.04970	1.3
83.08619	2.2
85.02888	7.2
87.04475	0.3
91.03936	2.5
91.05460	4.2
93.07026	5.6
95.04943	2.2
95.08604	1.6
97.02863	4.7
97.06499	0.6
97.10152	0.4
99.04393	1.1
101.02373	2.5
103.03905	0.4
105.07008	2.7
107.04953	1.5
107.08617	2.2
109.02859	1.0
109.06499	0.4
109.10139	0.6
111.08081	1.4
117.07034	0.4
119.08509	2.1
121.10143	1.7
127.03844	2.2
129.06992	1.1
131.08568	1.3
133.10158	2.0
135.11708	1.1
137.09654	0.3
147.11658	0.6
149.09601	0.4
149.13284	1.4
157.10121	1.5
159.11693	0.6
175.11153	0.5
185.04309	0.3
193.12222	1.6
199.50430	0.3
203.05341	0.5
211.13316	1.1
235.13063	1.7
243.08351	2.5
251.12570	1.2
269.17566	0.4
288.79886	0.3
291.15710	0.6
453.20813	7.3
469.20316	10.0
519.29199	0.4
622.25220	0.3
681.34436	100.0
682.34705	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.2587
Annotation	Unknow
Peak:m/z	Relative Intensity
51.08572	0.3
55.01863	0.7
55.26516	0.2
65.03910	0.6
67.05485	1.9
68.99772	0.9
71.04973	0.6
79.05477	0.6
83.04959	1.5
85.02885	0.7
85.06519	3.2
91.05433	0.8
93.03374	1.4
95.04942	3.2
97.02907	0.4
105.07007	0.6
107.04922	0.4
107.08562	0.5
111.04427	3.6
119.04921	4.1
121.06478	0.4
121.10103	0.8
123.04406	56.3
125.05948	0.4
127.03866	1.5
131.08582	2.5
133.06490	0.6
134.72733	0.3
135.04388	0.7
137.02458	0.5
137.05939	1.4
139.03880	100.0
140.04210	0.8
143.04889	2.2
145.10056	1.6
147.04384	20.9
149.05971	0.6
149.09590	2.6
151.03903	2.7
153.05429	1.8
161.05951	8.1
163.03905	2.1
163.07384	0.5
163.11182	0.7
165.05443	10.9
167.07063	0.5
167.10652	0.6
169.04929	1.4
174.42545	0.3
177.05472	0.6
179.06972	3.8
181.04970	0.4
189.05374	2.4
191.10651	2.6
197.25751	0.3
207.06473	7.6
209.11707	3.7
209.25529	0.4
223.06433	0.5
227.12721	6.8
249.07613	0.6
273.07547	1.4
291.08563	31.2
292.09018	0.4
540.97858	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.3294
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88774	0.6
53.00317	0.6
53.03937	0.6
55.01866	2.7
55.05498	4.4
57.03429	4.9
61.02911	6.7
67.05495	11.9
69.03422	5.3
69.07066	3.0
71.04946	1.1
73.02900	3.8
74.85007	0.6
79.05486	8.6
81.03399	12.1
81.07037	12.7
82.66718	0.7
83.04964	3.0
83.08614	3.0
85.02901	6.1
85.06531	0.8
85.10198	0.6
86.09674	5.8
91.03937	4.5
91.05465	9.7
93.07029	11.3
94.07376	1.1
95.04962	4.7
95.08591	5.0
97.02892	5.6
97.06490	0.8
99.04447	1.3
101.02377	2.6
105.07019	9.2
107.04948	3.9
107.08592	5.0
109.02885	1.0
109.06478	1.1
109.10150	2.9
111.08068	1.0
117.07012	3.6
119.08583	4.5
121.06499	1.2
121.10139	1.7
123.08015	0.8
124.99978	3.4
127.03918	2.8
129.06999	2.4
131.08549	4.5
133.10147	3.7
135.08043	0.9
135.11699	2.8
145.10110	3.7
147.11647	1.0
149.09604	0.9
157.10158	1.1
163.11240	1.3
171.53485	0.7
180.80124	0.8
184.07312	13.2
185.04126	0.8
190.44725	0.7
192.60139	0.7
193.12285	3.5
195.12030	0.7
195.13701	0.9
233.15237	1.5
243.08360	1.1
267.15909	1.6
285.17288	0.8
369.18863	0.7
423.27670	0.7
450.29135	0.9
451.19296	3.4
453.20554	4.8
467.18881	4.1
469.20627	1.0
499.30338	5.5
643.35834	0.8
679.32935	100.0
679.44366	4.3
680.33636	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	679.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05493	3.5
57.03413	2.0
61.02906	9.0
67.05479	8.3
69.03410	3.7
73.02888	9.0
79.05450	3.0
81.07025	9.7
83.08629	2.5
85.02891	4.0
89.60929	1.6
91.03948	2.1
92.09317	1.8
93.07036	9.5
95.08573	2.5
97.02856	7.6
105.07034	3.8
107.08567	3.0
108.00692	1.8
109.10155	2.0
156.81230	1.7
184.07269	2.2
345.78613	1.9
401.17581	7.8
454.25354	2.3
519.28931	7.8
668.04010	1.8
679.39893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	680.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	3.5
53.03924	3.9
55.01865	14.2
55.05508	38.1
57.03433	49.8
61.02916	16.5
66.04789	2.7
67.05493	98.6
69.03440	12.0
69.07064	26.8
70.17538	2.9
71.04973	8.1
73.02896	6.2
79.05476	78.2
81.03397	69.3
81.07042	100.0
83.04971	35.7
83.08613	25.3
85.02879	33.3
85.06520	5.2
91.05467	82.0
93.07019	64.1
95.04937	43.3
95.08578	44.7
97.02866	7.2
97.06514	17.2
97.10146	14.9
105.07024	65.5
107.04993	11.5
107.08594	33.7
109.06502	14.5
109.10162	32.5
111.04435	3.8
111.08082	14.3
116.04678	7.8
117.06980	5.6
119.08582	36.4
121.10133	25.0
121.37944	3.6
123.08063	5.2
123.11697	6.2
125.09626	3.9
129.05447	31.9
129.06970	15.7
131.08549	19.5
133.10069	24.3
135.11667	14.5
137.09583	4.1
143.07047	3.6
145.10085	7.1
147.11688	34.2
149.09605	13.2
157.08630	7.5
157.10118	17.3
159.11705	4.7
163.11188	5.1
165.12730	4.6
175.11133	17.7
181.12228	3.6
184.07283	6.5
189.11136	4.1
193.12239	40.2
199.13264	4.4
211.13226	36.7
229.01147	3.2
229.14326	6.0
239.16371	29.4
255.15887	16.0
267.15790	18.2
273.16937	4.8
285.16946	38.7
301.16434	18.1
421.25281	3.7
431.28268	3.5
439.26901	40.8
447.27518	6.3
449.28635	15.0
465.28333	38.6
483.29462	6.7
680.32947	16.8
681.34277	13.9
692.30682	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	678.4937
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.2
55.05497	35.5
57.03417	15.6
57.07058	6.1
61.40531	3.7
67.05493	70.5
67.30669	3.2
69.07057	30.9
71.04987	3.8
79.05470	71.1
81.07040	83.1
83.04956	8.4
83.08601	5.6
91.05447	64.7
92.64111	3.4
93.07018	100.0
95.04938	14.4
95.08583	50.7
97.06513	7.6
105.07012	87.8
106.07364	4.1
106.12556	3.4
107.08578	51.5
108.08918	4.3
109.10137	21.0
115.05477	3.5
117.07007	25.8
118.19512	4.3
119.08560	49.6
120.08931	4.7
121.10169	29.1
123.11599	4.7
129.06976	5.0
131.08517	32.9
133.10088	32.3
133.27945	3.6
135.11676	17.3
140.14455	3.9
143.08562	16.6
145.10110	21.2
147.11653	25.9
149.13255	5.8
157.10126	15.1
159.11674	20.9
161.13240	7.7
163.11192	4.1
169.10130	5.9
171.11583	5.8
173.13121	10.2
178.14566	3.8
184.07329	8.3
185.13091	4.3
187.14752	5.1
199.14799	5.0
223.14804	3.7
241.19475	5.1
259.20514	7.7
269.17599	5.2
275.20016	5.4
277.25095	4.0
333.24033	13.8
410.52786	4.4
476.04880	3.9
506.38266	4.1
527.37299	12.6
609.93817	4.7
625.45117	4.4
626.20056	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	678.4943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	30.0
57.03418	6.3
60.08153	6.6
67.05497	49.4
69.07048	17.1
72.33472	3.3
79.05486	44.2
81.07043	55.0
83.08623	5.8
86.09687	40.9
91.05457	54.9
92.78356	2.9
93.07031	61.2
95.04935	5.0
95.08568	34.2
97.06519	4.1
98.59911	3.3
98.98454	4.1
105.07004	49.5
107.04906	3.2
107.08585	28.8
109.10112	13.4
114.93402	3.2
117.07000	19.2
119.08569	40.7
121.10124	14.3
124.99996	35.2
129.06967	12.7
131.08508	19.3
133.10086	24.1
134.10489	3.7
135.11642	7.4
136.87759	3.1
141.06984	4.0
143.08557	5.7
145.10094	23.8
147.11679	13.9
151.70901	4.1
155.08543	6.1
157.10085	14.7
159.11652	16.6
161.13226	5.5
169.10117	5.8
169.42528	3.3
171.11633	5.8
183.11641	4.0
184.07295	100.0
247.48503	3.2
259.20428	6.9
331.34616	3.6
333.24161	11.4
513.35498	6.1
527.36908	6.4
607.43213	4.3
625.44897	4.7
678.46680	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	678.3689
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.1
55.01865	6.1
55.05503	13.3
55.89386	0.4
57.03427	12.2
57.07061	0.7
59.04967	1.0
60.08125	0.5
61.02910	4.3
65.03917	0.7
67.05488	37.5
69.03408	5.2
69.06709	0.7
69.07052	11.9
69.31493	0.4
71.04971	5.7
73.02879	2.3
79.05469	22.3
81.03394	33.3
81.07034	37.1
82.07365	0.7
83.04957	16.2
83.08119	0.5
83.08603	12.6
85.02419	0.7
85.02887	13.9
85.06528	6.3
86.09682	0.6
91.03934	0.8
91.05454	41.1
93.07021	21.8
93.74377	0.5
95.04945	17.9
95.08575	9.6
97.02861	3.9
97.06515	5.3
97.10128	2.3
99.04436	1.0
99.08048	0.8
105.07008	35.6
107.04941	5.0
107.08571	29.3
107.09187	0.5
108.80046	0.5
109.02760	0.5
109.06501	7.7
109.10133	52.2
111.04414	1.1
111.08066	5.5
111.26173	0.5
113.05978	4.2
117.06961	0.9
119.08556	11.0
121.06487	0.8
121.10115	5.4
123.08057	1.9
123.11671	8.8
125.00043	1.4
127.07533	2.6
129.06946	6.2
131.08548	7.6
133.06444	0.9
133.10098	65.7
135.08058	0.7
135.11673	1.9
137.06007	0.4
137.09575	0.9
142.07726	0.6
143.08546	1.9
145.10071	2.3
147.08055	1.0
147.11685	6.7
149.09576	4.1
151.11153	30.0
157.10085	8.7
161.09586	2.2
163.11089	0.7
165.12749	1.1
169.12210	4.4
175.11169	7.8
179.10704	0.9
184.07280	4.6
190.15115	0.5
193.12187	21.3
197.19073	0.5
200.59955	0.5
211.13245	26.8
211.15291	0.9
215.12704	1.1
224.25787	0.5
247.73190	0.5
253.14276	100.0
255.15851	0.6
267.15796	6.2
271.15326	22.8
285.16882	15.2
445.25696	6.4
463.26733	12.7
480.30096	0.6
481.27835	46.5
482.28143	0.8
679.32892	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	678.4419
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90940	1.7
54.82260	1.6
55.05504	17.6
57.03432	18.7
57.07066	32.0
59.04992	3.1
59.54128	1.7
60.08146	7.3
67.05147	3.7
67.05494	100.0
69.07054	12.7
71.07347	3.4
71.08607	22.8
73.02884	1.9
79.05474	15.4
81.03403	1.6
81.07041	39.8
82.55717	1.6
83.08603	14.4
85.02876	8.9
85.06549	2.4
85.10155	10.5
86.09690	44.7
86.44618	1.9
89.05991	2.3
91.05457	21.0
92.65076	1.8
93.07031	16.3
95.01326	3.0
95.04936	2.9
95.08594	29.4
97.10116	3.8
98.98438	1.9
105.07005	13.8
107.08575	10.2
109.06514	2.5
109.10146	87.0
110.10589	1.8
111.08070	2.7
113.02335	1.7
119.08546	14.3
121.10136	7.1
123.11651	2.4
124.99986	29.8
131.08461	2.6
133.10118	3.7
135.11612	2.1
137.09584	2.6
141.01828	3.8
145.10101	1.8
149.13225	1.9
155.10629	2.2
159.11693	4.2
173.11737	18.2
173.12971	2.1
184.07314	80.8
222.64639	1.8
229.14323	60.5
293.21063	10.3
308.88132	1.6
313.27304	68.8
454.67654	1.9
467.37314	46.3
548.22614	1.8
610.29266	1.8
678.46576	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	678.3693
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01859	6.4
55.05499	10.1
57.03426	11.2
57.07064	0.8
61.02908	4.1
65.03925	0.4
67.05489	35.2
69.03413	4.9
69.06719	0.6
69.07053	11.2
71.04974	6.7
71.84933	0.4
73.02889	0.8
73.82496	0.4
78.05153	0.4
79.05473	19.3
81.03396	31.1
81.07034	36.8
83.04964	13.1
83.08600	12.1
85.02431	0.5
85.02888	12.9
85.06534	4.5
86.09686	1.0
87.04475	0.5
91.03913	1.0
91.05457	39.9
92.09402	0.6
93.07017	18.0
95.04950	18.6
95.08581	9.2
97.02852	3.5
97.06519	4.1
97.10127	2.2
99.04423	2.8
99.08060	1.0
105.07009	34.0
107.04951	4.2
107.08573	26.7
109.06506	6.7
109.10136	47.3
111.04401	1.0
111.08050	5.1
113.05957	2.3
117.06970	2.2
119.08544	12.5
121.06467	1.0
121.10110	4.0
123.08010	3.3
123.11686	9.9
125.09583	1.8
127.07549	3.4
128.06129	0.5
129.06975	5.2
131.08531	6.9
133.06436	0.7
133.10101	63.8
135.08080	0.6
135.11696	1.8
137.09589	1.6
142.07703	2.3
143.08551	0.5
145.10043	1.0
147.07993	1.8
147.11676	8.3
149.09615	3.4
151.11156	28.5
157.10095	6.8
161.09538	2.5
163.11166	0.5
165.12766	0.9
169.12204	4.4
175.11124	7.2
179.10617	1.8
184.07286	3.1
193.12198	22.3
211.13257	25.4
211.15279	0.8
215.12788	0.8
253.14284	100.0
254.14474	0.6
255.15773	0.5
259.86108	0.5
267.15866	6.6
271.15338	24.1
285.16888	16.9
285.20050	0.6
417.64487	0.6
445.25604	7.6
462.28375	0.5
463.26755	16.3
481.27856	51.6
520.40564	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3692
Annotation	Unknow
Peak:m/z	Relative Intensity
52.31956	1.5
53.03923	2.0
55.01871	20.9
55.05505	39.3
57.03169	3.0
57.03424	45.0
57.07058	2.7
61.02898	12.2
67.05493	80.1
69.03400	2.7
69.07059	26.6
71.01328	4.2
71.04967	10.9
73.02893	4.4
79.05479	86.9
81.03400	42.6
81.07034	50.4
82.04197	8.0
82.07354	3.8
83.04960	30.3
83.08621	15.3
83.09026	1.9
85.02897	15.6
85.06528	3.5
86.09695	3.1
91.03896	2.8
91.05453	53.2
93.07025	83.3
95.04943	27.1
95.08588	23.6
97.02855	7.6
97.06513	23.6
97.10141	27.1
98.07283	4.8
99.04422	2.6
99.08073	3.5
105.07004	21.1
107.04948	32.1
107.08569	55.5
108.08865	2.2
109.06530	4.3
109.10179	14.3
111.04453	2.5
111.08052	11.1
112.57681	2.3
116.04674	13.5
117.06978	10.6
119.08578	21.5
121.06507	3.2
121.10119	12.5
123.08044	3.6
123.11677	1.9
125.09613	14.0
126.10424	1.9
129.05464	34.9
129.06973	3.1
130.07796	2.6
131.04909	1.9
131.08521	9.1
133.10106	15.4
135.07983	4.5
135.11661	67.1
137.05978	2.0
143.06973	4.4
145.10101	16.0
147.11664	12.6
147.19330	2.0
157.08583	16.2
157.09937	6.3
163.11118	15.0
171.10141	4.2
175.11205	4.3
181.12175	11.6
184.07275	11.6
189.11168	3.7
191.10631	2.8
193.12190	4.7
199.13246	7.6
209.11626	4.0
211.13185	8.7
223.90585	1.8
227.12733	11.9
229.47566	2.1
253.08640	2.2
255.15855	64.9
257.08054	4.4
267.15811	4.2
269.17282	3.2
270.17862	3.1
281.17346	2.3
283.15372	4.6
301.16437	37.6
309.16888	7.0
337.19818	3.4
409.25598	11.7
447.27231	4.6
463.26840	4.5
464.27451	9.7
479.29599	3.2
480.30115	14.5
481.27762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	678.3609
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05006	0.5
57.03415	0.1
58.06577	0.2
60.08150	9.2
60.64545	0.1
67.05479	0.6
68.53570	0.1
70.06538	0.2
71.04974	0.2
71.06992	0.2
71.07355	4.2
71.17451	0.1
74.89220	0.1
79.05477	0.3
80.56371	0.1
81.03407	0.5
81.07019	0.3
83.04959	0.2
83.08617	0.2
86.09689	47.2
87.10019	0.1
91.05452	0.9
92.09335	0.2
92.64642	0.1
93.07030	0.2
95.04956	0.2
95.08613	0.1
98.98444	3.6
98.99042	0.2
104.10725	3.2
105.07008	0.5
107.08570	0.2
119.08528	0.2
124.99979	34.2
131.08546	0.2
133.10129	0.3
143.01019	0.3
145.10141	0.2
147.11745	0.1
162.57358	0.1
178.67918	0.1
184.07304	100.0
185.07520	0.2
193.12245	0.1
218.27522	0.1
231.64307	0.1
326.60172	0.2
463.26920	0.2
481.28116	0.3
484.31979	0.1
660.35284	0.2
678.36023	15.0
679.35895	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	677.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44086	0.7
52.59737	0.6
53.00290	0.9
53.03932	2.6
55.05505	16.2
56.64661	0.7
57.03433	8.8
57.07059	4.5
61.02914	23.8
65.03936	2.8
66.79086	0.7
67.05491	88.1
69.03410	4.2
69.07050	17.1
71.04976	2.8
71.08609	0.7
73.02893	7.2
75.04449	1.0
79.05474	51.3
81.03387	3.8
81.07037	100.0
83.04973	2.9
83.08604	8.8
85.02888	21.4
85.06528	1.6
89.10940	0.7
91.03932	21.0
91.05454	27.5
91.24247	0.7
92.09312	1.4
93.07021	65.8
94.01385	0.8
95.04951	5.2
95.08578	70.1
95.22586	0.7
97.02880	7.4
97.06514	4.5
97.10152	3.5
99.04443	1.1
99.08066	1.1
105.04516	0.9
105.07011	24.4
107.04909	0.8
107.08579	42.7
108.08893	0.8
109.06507	3.8
109.10134	34.7
109.10848	1.2
111.08076	1.1
113.09581	0.7
115.03882	1.2
117.06995	10.7
119.08557	21.3
121.06490	0.8
121.10121	34.2
123.07973	1.1
123.11674	15.0
127.03905	3.7
129.06979	0.9
131.08543	23.4
133.10104	16.9
135.08038	0.9
135.11668	25.9
137.09637	1.3
137.13255	4.3
139.11136	1.0
143.08546	1.3
145.04938	5.0
145.10109	17.7
147.11661	10.5
149.09555	0.9
149.13235	18.4
151.11099	1.0
151.14838	0.8
157.10101	1.2
159.11690	14.1
161.13210	8.9
163.05994	7.4
163.11151	1.2
163.14786	13.0
165.12708	1.1
165.95372	0.7
171.11673	0.9
173.13211	14.3
175.14822	3.9
177.12740	1.4
177.16389	2.9
179.14275	1.6
184.81239	0.7
187.14801	7.0
191.14148	0.9
201.16309	1.4
205.15945	1.4
215.17970	0.7
219.17357	0.8
233.22717	1.4
243.21054	20.2
261.22079	62.4
263.17786	0.7
263.23779	0.8
279.23151	4.1
286.41339	0.7
309.72867	0.8
317.24771	0.8
335.25754	22.5
353.26797	31.6
369.48434	0.7
465.21246	0.8
497.31168	6.1
657.65607	0.9
677.33997	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	677.3713
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99149	1.6
61.95541	2.0
67.05499	2.8
69.07059	2.0
79.05470	3.3
81.07045	7.7
81.83352	1.7
84.39785	1.6
85.80214	1.6
89.16585	1.6
91.05499	2.1
93.07030	4.3
95.08584	2.9
97.29388	1.9
105.07045	3.2
107.08649	2.9
107.14786	1.8
108.80508	2.0
113.39646	1.9
119.08553	1.6
121.10127	1.7
190.56027	2.1
202.01482	2.1
365.10797	3.2
424.62805	2.0
515.31781	32.1
608.87817	1.9
637.04016	2.2
677.37012	100.0
677.48492	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	677.3711
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30860	0.4
60.64289	0.4
66.20132	0.3
67.05495	0.8
69.03374	0.4
69.07048	0.6
69.31599	0.3
75.58710	0.4
79.05464	0.8
81.03381	0.4
81.07040	2.0
90.68417	0.4
91.05446	1.5
92.08762	0.6
93.07017	1.8
95.04919	0.4
95.08561	0.8
95.34519	0.4
96.95714	0.4
105.07015	1.7
107.08575	1.8
109.06422	0.4
109.10110	0.6
117.06972	0.5
119.08567	0.6
131.26108	0.4
133.10136	0.8
154.45844	0.4
185.04181	0.6
207.57649	0.5
259.07831	0.8
275.13904	0.4
347.09525	1.6
515.31750	28.7
566.64441	0.5
677.36969	100.0
678.37268	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4788
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43783	5.4
53.03958	6.3
54.49967	5.3
55.01873	10.3
55.05499	36.1
57.03424	9.0
57.07039	7.2
61.44247	5.4
64.33730	5.7
67.05488	89.1
69.03430	10.7
69.07056	39.7
71.82703	5.3
73.53020	5.9
79.05486	70.4
81.03387	6.6
81.07038	100.0
83.04996	8.7
83.08611	7.8
85.49664	6.8
91.05450	93.4
93.07030	73.4
95.04959	11.6
95.08575	65.2
97.06467	8.7
105.07011	93.5
107.08580	55.1
109.10153	56.0
114.62433	6.7
115.80723	6.5
116.49721	6.3
117.07011	27.5
119.08551	57.7
121.10134	39.6
129.07007	7.5
131.08600	28.6
133.10088	66.8
135.11725	10.8
143.08557	11.9
145.10103	12.7
147.11713	30.8
151.11111	9.3
157.10075	7.4
159.11740	16.7
161.13257	7.7
173.13287	7.0
175.10974	7.6
215.12737	15.4
253.14362	26.6
259.20645	7.0
291.19644	8.6
300.59277	7.0
333.24313	30.6
339.28986	8.2
365.22998	9.7
467.98920	7.5
509.91202	7.5
537.20319	7.0
623.42426	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	677.3502
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38681	1.6
55.05495	2.2
61.02908	4.3
61.74749	1.8
67.05488	12.7
69.03422	2.0
69.07050	2.4
73.02916	3.1
79.05484	11.8
81.07034	11.7
85.02898	2.9
86.84106	2.0
91.05483	4.0
93.07025	10.7
95.04938	3.3
95.08543	3.2
97.02867	2.9
105.07011	8.5
107.08588	8.2
109.10160	2.3
119.08602	2.8
121.10166	3.4
131.08624	2.2
133.10136	3.0
145.10156	3.9
149.13264	2.7
159.11630	2.7
171.11713	2.7
181.56258	1.9
183.58163	1.9
453.21265	7.5
465.20975	9.0
677.34937	100.0
678.35681	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	676.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.7
55.01866	2.7
55.05266	1.0
55.05508	18.3
57.03426	16.4
60.26732	0.7
61.02922	6.0
65.03923	0.7
67.05489	42.7
69.03419	3.5
69.07052	16.4
71.04970	5.4
73.02896	1.3
79.05475	33.2
81.03400	41.7
81.07035	59.4
83.04964	13.4
83.08602	20.6
85.02892	24.0
85.06524	3.3
91.03934	2.9
91.05462	32.4
93.07020	38.7
95.04949	18.5
95.08582	15.9
97.02868	5.7
97.06509	7.8
97.10150	3.4
99.04452	0.9
99.08075	1.2
100.01281	0.7
104.55833	0.7
105.04476	0.7
105.07021	23.7
107.04920	5.3
107.08577	20.9
109.06507	5.0
109.10127	2.8
111.08061	9.2
113.06017	1.3
115.05435	1.3
117.07004	7.4
119.08540	14.4
121.06479	2.8
121.10128	11.1
123.08051	1.7
123.11675	3.9
129.06982	8.5
131.08536	13.1
133.06491	1.5
133.10100	14.9
133.62167	0.7
135.08044	1.2
135.11676	5.7
137.09595	1.0
142.07777	1.6
145.10083	1.6
147.08069	1.1
147.11656	9.1
149.09579	4.0
149.13226	10.2
157.10085	9.1
159.11639	5.5
165.12697	1.7
173.03725	0.7
175.11183	10.0
177.12692	1.6
179.71898	0.8
193.12210	25.3
195.13748	7.8
196.33344	0.7
211.13274	24.6
251.28699	0.7
267.15915	9.9
269.17413	39.9
285.16916	21.7
461.28882	24.9
479.29932	100.0
480.30206	3.7
514.71594	0.9
623.34174	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.4543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.7
56.05016	0.4
57.07053	0.5
60.07874	0.5
60.08151	8.4
65.56323	0.3
67.05490	2.1
68.20200	0.3
69.07047	1.4
71.07361	4.8
79.05471	3.0
81.07035	4.5
83.08597	0.4
85.06483	0.4
86.09688	49.6
90.12251	0.4
91.05442	3.1
93.07013	4.8
95.04924	0.8
95.08568	3.5
98.98454	4.2
104.10725	3.0
105.07004	3.9
107.08594	3.2
109.10130	1.5
110.79039	0.4
117.06997	0.5
119.08544	3.3
121.10104	1.7
121.10952	0.4
123.11625	0.4
124.99973	33.5
129.06976	0.4
131.08522	0.8
133.10078	2.2
135.11670	1.5
141.10588	0.3
143.08533	0.4
145.10088	2.3
147.11644	0.8
148.30893	0.4
149.09581	0.4
157.10056	0.6
159.11664	1.5
161.13278	0.5
171.11574	0.4
184.07300	100.0
199.14874	0.4
230.84993	0.3
235.58871	0.4
285.31696	0.4
676.34265	0.6
676.45282	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	676.3901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57123	0.8
53.00301	0.9
53.03939	2.4
55.01859	4.8
55.05262	1.4
55.05506	24.7
57.03432	26.9
57.07072	1.3
61.02907	8.1
65.03934	0.9
67.05495	56.7
68.37780	0.9
69.03419	5.9
69.07055	25.2
69.32360	0.8
71.04981	6.8
73.02915	1.6
73.48292	1.1
75.39273	1.1
79.05479	44.1
81.03403	64.5
81.07040	84.5
83.04967	21.4
83.08606	36.0
85.02892	31.2
85.03359	1.5
85.06530	5.0
91.03958	1.3
91.05459	45.2
91.05991	2.1
93.07023	61.4
95.04948	29.8
95.08588	24.4
97.02885	6.9
97.06516	14.8
97.10139	5.0
97.47337	1.0
99.08064	2.1
105.07020	29.2
107.04967	8.2
107.08582	33.1
109.06515	8.0
109.10148	5.3
111.04443	1.5
111.08076	16.5
113.06006	2.2
117.06974	8.2
119.08564	22.3
121.06482	1.6
121.10120	23.9
123.08067	4.3
123.11682	4.2
125.09636	1.4
127.25637	1.1
128.37610	1.2
129.06978	13.1
131.08556	20.0
133.06485	1.6
133.10097	16.1
133.43697	1.1
135.11691	7.3
137.09630	1.8
142.07794	1.4
145.10178	1.6
147.08046	1.4
147.11664	15.5
149.09590	7.3
149.13240	16.9
157.10115	15.8
159.11661	9.5
165.12743	4.1
175.11157	15.6
177.12769	2.0
193.12231	35.8
193.13939	1.7
195.13837	7.2
211.13254	39.4
249.42027	0.9
267.15845	21.7
269.17441	49.9
271.16901	1.3
279.35483	1.0
285.16907	31.3
461.28931	57.1
462.29459	1.5
479.29956	100.0
480.30414	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	675.4315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41759	0.2
51.21051	0.2
55.05497	1.7
57.03419	0.4
67.05491	3.6
69.03416	0.5
69.07055	2.2
76.56664	0.2
79.05466	1.6
81.03390	0.5
81.07035	4.8
83.04963	0.5
83.08589	1.1
85.02860	0.3
86.71053	0.2
91.05452	1.3
93.07029	2.1
95.08592	4.5
97.06498	1.2
97.10120	0.5
98.06821	0.3
105.07003	0.6
107.04937	0.3
107.08584	1.8
109.10139	4.7
119.08567	2.4
121.06488	0.3
121.10101	1.4
122.07236	0.5
123.04443	0.4
123.08140	0.3
123.11632	1.0
127.20051	0.3
133.10104	0.5
135.08032	0.4
135.11641	0.6
137.09592	12.1
137.13126	0.3
138.99371	0.3
139.03825	0.2
145.10094	0.3
147.04399	0.3
147.08023	0.3
147.11653	0.3
149.09587	2.2
149.13206	0.5
151.14740	0.3
161.09578	0.3
163.14702	0.4
165.09076	100.0
166.09373	1.3
177.09081	0.6
179.10651	1.5
180.04214	0.3
189.09039	0.6
190.09940	0.4
191.10701	0.5
203.10611	2.9
205.12187	3.2
217.12177	0.5
289.25327	0.3
307.26193	1.1
407.19040	0.3
423.32327	2.5
441.33554	4.9
459.34558	3.1
506.45032	0.3
544.62384	0.3
561.48724	0.3
572.11450	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	676.2084
Annotation	Unknow
Peak:m/z	Relative Intensity
52.03173	0.1
53.03936	0.4
55.01880	0.7
57.03439	0.2
59.13248	0.1
61.02925	0.5
65.03928	4.6
67.05492	1.0
68.99783	0.2
69.03413	1.4
71.04960	0.1
81.03397	1.3
85.02895	3.0
93.03383	4.9
95.04958	0.9
97.02885	1.5
99.04421	0.2
108.02078	1.1
109.02879	1.0
110.03650	1.3
111.04427	15.8
112.04732	0.1
112.33672	0.1
121.04012	0.1
123.04439	0.9
125.05968	12.7
127.03874	1.0
136.01546	0.2
139.03882	17.7
140.04192	0.1
140.07077	0.2
141.05438	3.2
141.06439	0.2
145.04948	0.4
148.18442	0.1
151.03888	100.0
151.04953	6.2
152.04208	0.8
161.05936	0.2
162.07497	0.2
163.03874	0.3
167.03366	9.6
169.04927	34.5
179.03265	0.2
180.08624	0.3
181.04900	0.3
185.04446	0.1
189.09055	0.2
191.03336	0.2
205.04826	0.2
233.04524	0.2
257.04288	0.2
272.70596	0.1
275.05127	0.1
295.08203	0.8
313.09088	2.3
335.07370	0.7
365.57745	0.1
402.65118	0.1
584.26245	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	676.3455
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24872	0.3
55.05487	1.5
56.05026	0.4
56.05835	0.4
57.03417	0.6
58.06580	0.3
60.07860	0.5
60.08152	9.2
60.12399	0.3
60.53787	0.3
61.02906	0.4
67.05490	3.1
69.07052	0.8
71.04953	0.4
71.07358	4.2
77.99306	0.3
79.05469	2.7
81.03391	2.2
81.07030	3.0
82.07375	0.5
83.04957	1.6
83.08602	0.8
85.06457	0.3
86.09689	49.4
91.05471	2.6
91.21404	0.3
93.07018	2.2
95.04934	0.7
95.08582	1.8
97.10107	0.5
98.98442	3.8
100.94189	0.3
103.13382	0.3
104.10715	3.2
105.06998	1.5
107.04894	0.5
107.08553	2.2
109.10124	1.7
117.06963	0.5
119.08556	1.4
121.10086	0.7
123.08006	0.3
124.99984	31.0
131.08514	0.8
133.10127	1.6
137.09569	0.8
138.09900	0.3
145.10123	0.4
147.11739	0.5
149.09644	0.4
149.53828	0.3
150.81598	0.3
157.10098	0.5
163.11118	0.3
165.09067	9.6
166.09409	3.9
184.07301	100.0
193.12213	0.3
194.22205	0.4
200.87688	0.3
250.02612	0.3
255.17453	0.4
372.87619	0.4
442.34088	0.4
449.28925	0.4
459.34772	0.4
460.27325	0.4
461.28683	2.1
477.28210	0.4
478.28601	2.1
479.29474	1.4
487.45541	0.4
676.34338	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	675.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26895	0.3
55.05501	0.6
67.05481	3.0
69.07053	0.9
79.05464	0.7
80.15012	0.4
81.07040	4.7
83.08560	0.5
85.02888	0.7
86.19599	0.4
91.05463	0.7
93.06999	2.1
95.08571	3.5
97.06493	1.8
97.10091	0.5
105.07012	0.6
107.08575	2.6
109.10152	6.9
119.08543	3.6
121.10107	2.6
122.07279	0.7
123.04366	0.8
123.11666	0.7
127.03897	0.8
131.83214	0.5
133.10104	0.6
135.11653	0.8
137.09592	10.6
139.03961	0.5
147.11708	0.6
149.09581	1.9
149.13261	1.7
155.25493	0.5
161.13225	0.6
163.03853	0.5
163.14903	0.5
165.09084	100.0
179.10707	0.7
203.18166	0.6
205.12212	5.5
343.04745	0.5
423.32312	2.3
441.33594	4.0
459.34314	3.8
481.26105	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	675.4307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13324	0.1
53.00296	0.1
53.03940	0.1
55.05492	0.8
57.07054	0.2
63.56210	0.1
67.05139	0.1
67.05486	2.8
69.03423	0.1
69.07046	1.5
71.04971	0.2
72.24517	0.1
79.05466	0.8
81.03383	0.1
81.07033	5.3
83.04935	0.2
83.08590	0.4
84.78600	0.1
85.02876	0.1
85.06512	0.3
89.95072	0.1
91.05439	0.7
93.07019	2.2
95.04970	0.1
95.08578	3.6
97.06497	0.4
97.10138	0.2
100.36948	0.1
105.07006	0.7
107.04895	0.1
107.08573	1.9
109.06492	0.1
109.09382	0.2
109.10136	5.8
119.08556	2.4
121.06464	0.1
121.10120	1.2
122.07248	1.1
123.04437	0.1
123.07990	0.1
123.11674	2.5
125.09589	0.1
127.03861	0.1
131.08578	0.1
133.10074	0.4
135.08026	0.2
135.11670	0.8
137.09587	11.2
137.13211	0.4
139.03894	0.1
139.11189	0.1
139.60127	0.1
145.10100	0.1
147.11684	0.4
149.09586	1.4
149.13235	1.2
151.07512	0.2
151.11084	0.3
153.12709	0.4
159.11610	0.1
161.09630	0.1
163.07512	0.1
163.11150	0.1
163.14760	0.2
165.09071	100.0
166.09378	0.9
167.07004	0.1
173.09598	0.1
173.13316	0.1
175.11147	0.2
177.09091	0.8
177.16264	0.1
179.10632	0.5
187.11113	0.2
189.09070	0.4
189.12700	0.2
189.16298	0.1
190.09825	0.5
191.10629	0.6
193.12247	0.1
203.10686	0.4
203.17847	0.3
205.12196	5.7
217.12128	0.1
221.19048	0.1
223.13170	0.1
245.15202	0.1
254.19485	0.1
271.24057	0.1
277.25345	0.1
289.21527	1.0
289.25122	0.8
303.19479	0.4
307.26248	2.5
381.34195	0.1
381.42633	0.1
423.32346	0.7
441.33530	4.4
442.34045	0.1
459.34558	1.7
580.35229	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.0
55.01865	3.8
55.05502	24.7
57.03169	1.4
57.03426	19.4
59.04990	1.0
61.02893	0.9
65.03913	1.9
67.05137	1.6
67.05489	43.6
69.03416	5.4
69.07054	14.3
71.04984	5.1
73.02879	0.8
74.83175	0.9
79.05469	52.5
81.03396	66.9
81.07035	49.3
81.07531	1.2
83.04963	38.7
83.08598	22.4
85.02885	15.7
85.06528	1.9
87.04438	1.3
91.05457	77.6
93.07014	43.3
95.04939	29.3
95.08581	19.2
97.02872	4.8
97.06511	6.5
97.10143	4.6
99.08057	1.6
105.04518	1.0
105.07008	48.4
107.04931	18.1
107.08563	14.1
108.35343	1.0
109.06492	9.3
109.10140	5.5
111.04416	1.9
111.08070	9.0
113.05996	1.9
115.05415	1.8
117.07002	4.0
119.08551	35.0
121.06491	2.5
121.10114	9.9
123.08056	3.9
123.11671	1.2
127.07588	1.0
128.06218	1.0
129.06975	21.2
131.08536	25.7
133.06467	4.2
133.10098	37.0
135.11662	1.0
137.09622	1.1
139.03915	1.4
142.07762	5.5
145.10115	6.5
147.08025	7.0
147.11659	22.5
149.09555	9.2
157.10103	29.2
163.11119	3.8
165.09131	1.5
165.12733	4.1
173.13206	1.1
175.11145	19.1
184.07300	2.0
193.12201	36.6
211.13243	21.8
213.12720	1.2
243.15582	1.2
267.15845	100.0
278.27844	1.0
285.16864	15.1
300.99820	1.1
311.06989	1.0
385.10458	1.0
441.33606	1.1
459.27319	57.3
460.28329	1.1
477.28357	52.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.3742
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	6.2
55.05499	18.2
57.03424	15.3
57.07077	1.5
57.32026	0.5
59.04981	2.7
61.02913	6.9
67.05488	30.4
67.05849	1.0
69.03409	1.3
69.07051	12.6
71.04974	4.6
73.02929	1.0
78.27733	0.6
79.05469	27.6
79.05900	1.2
81.03381	8.0
81.07034	46.5
83.01324	6.4
83.04960	11.0
83.08598	15.0
85.02899	6.9
85.06511	2.3
91.03887	2.3
91.05459	15.3
93.07021	37.5
95.04930	6.0
95.08576	12.8
97.02872	3.4
97.06503	8.5
97.10146	1.4
99.04442	2.7
99.08061	1.5
100.19624	0.6
105.04495	0.8
105.06995	9.7
107.04933	7.1
107.08574	24.3
109.06468	5.6
109.10141	3.0
111.04433	1.0
111.08075	5.0
117.06996	9.4
119.08543	7.2
121.06497	5.4
121.10113	13.1
123.08056	5.4
123.11670	0.8
125.05946	1.2
127.03910	0.7
130.07788	0.7
131.08514	7.7
133.10086	5.7
135.08029	2.6
135.11649	10.0
145.06453	0.6
145.10092	13.0
147.08051	0.8
147.11621	0.7
149.09590	1.0
149.13214	12.9
151.11185	1.0
153.12698	1.0
155.08498	1.1
159.11633	6.4
163.11143	17.0
173.09576	1.5
177.12715	2.7
181.12209	1.6
191.10556	0.9
195.13736	4.7
207.94353	0.7
209.11856	1.4
227.12747	1.5
269.17392	27.5
283.15329	36.7
283.18344	1.4
334.64252	0.7
459.27277	3.9
477.28366	100.0
478.28613	1.2
555.54041	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	2.6
55.01859	7.2
55.05502	18.9
57.03427	18.0
57.07058	1.5
59.04974	2.8
61.02674	0.6
61.02919	8.7
67.05141	1.3
67.05490	37.0
69.03397	2.7
69.07053	10.5
71.04975	5.6
73.02879	1.4
78.99575	0.6
79.05476	32.0
80.38959	0.5
81.02927	1.2
81.03398	32.5
81.07037	50.9
82.07329	0.6
83.01321	7.2
83.04956	11.6
83.08601	20.3
85.02879	12.9
85.06519	3.3
87.48383	0.6
91.03944	1.5
91.05455	21.6
93.07021	41.5
95.04943	14.7
95.08581	15.1
97.02873	6.4
97.06499	6.5
97.10146	1.1
99.04422	1.3
105.07014	13.5
107.04939	8.2
107.08566	22.9
109.06502	7.7
109.10107	1.5
111.04412	1.6
111.08098	6.2
117.07002	10.8
119.08569	11.1
121.06460	5.9
121.10110	10.7
123.08022	5.2
123.11684	1.3
125.05940	1.0
125.09609	1.1
129.06947	3.6
130.07762	1.0
131.08548	9.4
133.10088	9.3
135.08035	2.6
135.11655	10.1
136.02698	0.7
136.17862	0.8
137.09557	1.0
145.06416	0.9
145.10114	10.0
147.08020	2.8
147.11639	2.9
149.09576	2.8
149.13222	6.9
151.11127	0.7
153.12637	1.3
157.10107	3.9
159.11658	4.2
163.11145	17.8
165.12813	0.7
173.09595	2.8
175.11166	3.5
177.12715	1.2
181.12210	3.0
187.04715	0.8
191.10632	1.5
193.12151	6.3
195.13844	5.3
200.06917	0.7
209.11699	3.5
211.13284	2.7
246.83171	0.7
267.15833	16.4
269.17398	23.3
283.15326	39.8
285.16931	3.1
286.17685	0.7
367.22678	0.9
385.23663	1.4
433.25641	0.8
459.27237	9.5
474.11002	0.8
477.28387	100.0
478.28870	1.2
525.00769	0.8
559.94562	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93469	0.6
51.44311	0.5
55.01871	0.8
60.56587	0.5
62.97280	0.6
67.50032	0.6
69.03398	1.2
70.06577	100.0
80.39731	0.6
81.03391	1.0
81.07020	0.7
81.82951	0.6
91.05457	1.0
93.67367	0.7
95.04961	1.2
96.08132	0.6
97.02862	0.8
103.05391	0.8
105.06966	0.6
106.31235	0.6
107.04906	2.4
109.06515	0.9
118.12914	0.7
119.04923	1.5
121.10097	0.6
123.04399	13.5
127.03824	1.0
131.04921	0.8
135.04393	39.1
136.07588	0.7
137.05968	10.2
139.03883	10.8
147.04375	3.2
151.03908	2.4
159.04428	1.0
161.05858	1.5
163.03885	34.5
165.04083	0.8
165.05432	22.5
165.06824	1.0
173.05910	2.3
175.03889	1.0
177.05470	2.5
179.86278	0.7
187.03838	4.8
189.05450	1.2
201.05348	1.1
205.04959	2.6
215.06972	1.1
217.04936	0.9
229.04909	4.2
239.06903	1.2
243.06493	1.0
267.06375	2.4
271.05887	5.9
273.07346	0.6
283.05963	3.4
285.07458	10.4
289.06992	1.3
295.06021	1.4
297.07498	1.3
301.07056	3.3
309.07498	1.0
313.06924	6.0
315.08521	0.7
325.07013	6.0
327.08499	2.5
407.97137	0.6
411.10880	0.8
447.10474	1.3
465.11664	3.0
509.78741	0.8
617.16241	4.3
674.22260	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	674.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07991	1.0
55.05489	2.6
56.88544	0.9
61.03517	1.1
65.03922	1.5
67.05484	2.3
79.05465	2.2
81.07043	5.6
88.07630	1.9
91.05449	5.4
93.07029	6.8
95.04935	2.0
95.08551	1.7
105.07028	6.1
107.08570	2.4
119.08536	2.3
121.10117	2.0
131.08545	1.9
133.10095	2.2
145.10139	1.5
149.02321	80.3
157.10130	2.2
159.11623	1.4
191.31938	1.2
193.04919	100.0
219.06334	2.3
225.05438	1.6
237.07539	28.5
269.04343	2.3
297.03885	5.0
313.07050	2.4
341.06583	16.4
359.07556	13.1
385.09091	36.3
413.65802	1.4
429.11707	76.0
549.45837	1.5
674.35034	35.8
675.35071	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4156
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73573	0.7
52.83582	0.5
55.05514	3.0
55.31875	0.7
55.75857	0.5
57.03427	1.1
67.05492	7.3
69.03413	1.0
69.07045	1.6
79.05502	5.2
81.03397	4.7
81.07041	11.1
83.08583	1.2
85.02879	0.8
88.73720	0.8
91.05455	4.0
92.08610	0.8
93.07011	5.3
95.04951	1.3
95.08584	4.6
97.02887	1.4
97.10146	0.7
105.07019	2.9
107.04958	1.0
107.08572	1.2
108.12978	0.7
109.06550	0.7
109.10144	9.5
111.04426	0.9
117.06905	0.9
119.08532	5.2
121.10084	1.4
122.07230	0.8
123.11679	3.1
127.57928	0.8
131.08524	0.8
133.10097	1.4
137.09610	11.9
145.10143	1.0
149.09595	1.3
151.11124	0.7
165.09081	100.0
166.56544	0.7
177.09180	0.9
187.11163	0.7
193.12202	0.7
198.43477	0.7
205.12212	4.6
209.11702	3.2
223.13124	1.0
278.42783	0.7
301.16150	0.8
305.24872	1.3
306.42603	0.8
315.21085	0.7
341.57043	0.7
439.31985	1.5
457.33081	5.5
475.26077	0.9
493.27304	1.3
547.24567	1.0
594.00867	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	674.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
54.03447	0.4
55.01879	0.4
55.04237	0.4
59.88560	0.4
64.33031	0.3
66.54127	0.4
68.99782	0.7
70.06579	100.0
79.05483	1.0
81.03381	0.6
81.07057	0.7
85.02894	0.8
91.05467	1.0
93.03355	0.6
95.04948	2.5
96.90209	0.4
107.04930	2.0
109.06536	1.0
111.04438	0.6
119.04961	2.0
123.04413	11.0
131.04967	1.0
135.04398	34.7
137.05949	8.2
138.09137	0.5
139.03885	11.4
147.04390	3.2
149.06010	1.0
151.03854	4.1
153.05469	1.1
159.04382	1.6
161.05984	2.0
163.03879	34.0
164.04590	1.0
165.05432	20.3
173.05986	0.8
175.03865	1.5
177.05478	2.8
179.03403	0.9
187.03860	5.2
189.05544	1.8
191.03281	0.6
191.63647	0.5
191.84996	0.5
197.06039	0.6
201.05504	1.8
203.03564	0.7
205.04974	3.7
211.07486	0.7
215.07167	0.9
217.04924	0.7
218.01509	0.4
227.07109	0.7
229.04968	3.6
239.07025	0.9
241.04958	0.9
243.06548	0.9
255.06348	1.1
259.06024	1.9
267.06555	1.8
271.05933	5.6
283.06015	2.6
285.07529	8.9
289.06970	0.8
295.06055	2.8
297.07733	0.7
299.09106	0.6
301.07190	2.3
309.07642	1.6
313.07025	4.4
315.08704	0.8
325.07101	5.3
327.08664	2.4
337.07544	0.5
384.14291	3.8
411.10672	0.8
447.10770	2.8
465.11902	2.6
605.15790	0.8
617.16510	3.8
669.16333	0.6
674.22174	24.7
674.33630	1.0
679.97400	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.4151
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81386	1.0
55.05498	1.7
57.03425	0.7
60.40391	0.6
63.91887	0.7
67.05477	4.8
69.03415	0.9
69.07046	1.5
79.05457	1.1
79.45564	0.8
81.03398	1.2
81.07024	8.1
82.49731	0.7
83.04964	1.0
91.05462	0.8
93.07011	1.8
95.04912	0.9
95.08595	5.3
97.06495	0.8
97.75980	0.7
105.07036	1.0
107.04939	0.8
107.08598	1.6
109.10156	7.9
114.11237	0.8
119.08535	3.6
121.10110	1.9
122.07290	1.3
123.11653	3.8
137.09607	15.6
149.09584	1.1
151.07605	1.2
165.09071	100.0
166.09441	1.3
205.12236	5.4
223.13214	0.8
269.58551	0.8
413.87720	1.0
439.31808	3.9
442.69235	0.9
457.33151	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	673.3421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.8
53.03939	6.3
55.01625	0.8
55.01859	15.8
55.05499	32.4
57.03135	1.2
57.03420	32.4
57.07051	2.9
58.21447	0.6
59.04989	4.9
61.02900	1.6
65.03906	4.2
67.05484	79.9
69.03406	32.3
69.07044	13.2
71.01318	3.0
71.04964	9.3
73.02895	23.1
76.78354	0.6
79.05466	44.1
81.03389	100.0
81.07028	41.7
82.03712	0.8
82.04179	1.1
83.01321	1.2
83.04956	32.6
83.08595	29.5
85.02881	40.3
85.06512	3.9
86.09682	1.4
87.04446	1.5
91.05449	35.8
91.32039	0.6
93.07015	29.2
95.04935	38.4
95.08570	14.5
97.02258	1.4
97.02862	25.7
97.06506	8.9
97.10133	13.6
98.07272	1.5
99.04406	4.6
99.04983	0.9
99.08060	1.6
101.02361	1.6
104.65536	0.7
105.04484	0.7
105.07001	24.9
107.04929	25.6
107.08566	15.6
109.02853	10.1
109.06492	8.6
109.10130	50.5
111.04414	10.6
111.08057	14.6
113.05999	1.2
115.05400	1.7
115.08591	0.7
116.04651	4.7
117.06998	5.9
119.07706	1.1
119.08537	23.3
120.08044	1.1
121.06464	4.6
121.07248	0.7
121.10103	14.0
123.04374	1.5
123.08037	5.5
123.11674	1.2
125.05915	1.2
125.09586	9.9
127.03889	6.3
128.06160	1.0
129.05449	11.4
129.06958	13.6
131.03369	1.0
131.08543	14.6
133.06454	4.2
133.10088	12.8
135.04347	6.6
135.08000	1.3
135.11649	4.5
136.11568	0.6
137.05965	1.3
137.09583	5.5
139.03874	1.0
142.07733	3.1
143.06970	1.6
143.08499	0.9
145.04993	0.8
145.06348	1.1
145.10071	7.3
147.08023	4.2
147.11646	15.5
149.09583	5.4
153.05411	2.8
153.12724	2.6
155.10619	1.0
157.08566	4.0
157.10080	14.6
158.05644	0.8
159.11647	0.8
163.11069	5.1
165.09085	1.6
165.12701	3.3
169.09933	0.8
171.06476	0.8
171.10121	2.7
173.04376	1.1
173.11694	11.9
175.11118	16.0
181.04887	1.0
181.12190	1.6
189.11192	3.2
189.12738	0.8
191.10620	3.2
193.12189	41.9
199.05946	1.2
199.11429	0.7
199.13269	4.0
200.13997	0.7
205.11984	0.7
209.11682	3.3
211.13232	41.9
217.07011	2.9
223.13092	0.8
227.12750	5.1
229.14270	24.0
247.13225	1.3
249.14885	1.4
267.15875	12.1
283.15225	4.5
285.16870	17.8
292.90411	0.6
301.16397	8.5
380.45938	0.7
421.25739	9.7
427.26599	1.4
429.20950	3.6
439.26767	55.4
440.27188	1.0
457.32721	0.8
459.27081	1.1
475.26740	2.5
476.27527	1.3
477.28137	1.4
493.27872	6.1
494.27969	1.0
511.28522	3.3
637.32709	0.9
655.33026	7.6
673.33960	9.3
673.44110	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.541
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41563	3.9
52.26257	4.0
55.05506	20.0
57.07067	37.6
67.05479	46.8
69.07045	21.5
71.04999	5.1
71.06477	4.3
71.08616	28.6
72.46400	4.2
79.05476	29.2
79.93082	5.0
81.07035	51.6
83.08598	22.4
85.10137	10.5
91.05457	12.5
93.07011	38.4
95.08575	34.5
97.06512	6.6
97.10155	11.1
105.07001	12.2
107.08562	25.6
109.10132	24.2
117.07040	6.1
119.08525	5.5
128.09486	5.1
131.08560	8.7
133.10106	7.6
135.11662	7.8
139.13699	5.2
141.47940	6.2
153.51643	4.6
227.12698	7.8
275.20032	8.0
292.97107	5.5
313.27231	25.5
399.03113	6.2
507.40350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	673.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09819	2.6
53.00290	4.3
53.03930	7.9
55.01861	7.0
55.05500	35.8
57.03427	37.6
59.04996	3.0
67.05497	100.0
67.14676	3.0
69.03407	30.4
69.07047	14.9
71.04968	13.1
73.02900	41.1
79.05472	59.9
81.03401	88.1
81.07037	71.3
83.04974	26.1
83.08604	35.1
85.02886	59.1
85.06544	4.5
88.97533	3.3
91.05464	45.9
93.07007	47.2
95.04955	39.8
95.08582	27.5
97.02885	26.3
97.06520	5.3
97.10118	7.4
99.04393	5.6
105.07027	35.0
107.04919	30.5
107.08588	29.0
109.02866	7.9
109.06515	15.2
109.10146	57.2
111.04437	14.3
111.08028	6.8
119.08537	24.3
121.10124	22.0
125.09586	6.9
127.03883	5.4
129.05441	6.2
129.06953	13.4
131.08534	17.2
133.10124	7.3
135.04358	7.3
137.05882	3.4
137.09602	5.2
145.06427	4.7
145.10123	8.2
147.11644	18.4
149.09602	8.0
157.10130	14.0
163.11131	4.9
165.09026	5.8
165.12611	5.4
173.11722	16.7
175.11128	15.3
181.04988	4.3
193.12204	38.9
205.59412	3.6
211.13252	41.3
229.14253	38.8
267.15887	17.5
283.15186	4.8
285.16885	18.7
385.23630	6.1
421.25787	19.0
439.26849	94.4
459.27246	15.0
477.28287	16.7
655.32452	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	672.4314
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05512	8.3
57.03425	10.5
57.07047	1.5
59.25676	1.0
61.02908	2.5
65.03938	1.0
67.05496	31.7
69.07043	9.2
79.05473	13.8
79.10374	1.2
81.03406	1.2
81.07029	21.6
83.08622	4.0
85.02895	1.4
85.06545	1.6
91.05462	8.6
92.39611	1.2
93.07019	21.8
94.15646	1.1
95.08582	100.0
97.02866	1.6
97.06519	2.4
105.07010	8.6
107.08612	11.2
109.10157	7.6
117.07003	1.6
119.08575	4.8
121.10114	7.2
123.08030	2.2
123.11687	1.5
131.08527	2.1
133.10124	5.7
135.11638	4.1
141.09052	2.4
145.10114	4.4
149.13214	2.0
159.10147	7.6
159.11566	2.5
163.14780	1.9
173.13216	1.9
215.12749	31.2
243.21004	1.4
261.22043	7.3
335.25717	27.1
369.81488	1.2
464.69693	1.1
475.34201	13.8
493.35031	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01606	0.6
53.03928	3.6
55.01863	2.0
55.05505	13.2
57.03427	7.9
59.04976	1.1
61.02904	1.4
64.91960	0.7
67.05145	1.7
67.05491	41.5
69.07057	13.8
71.04973	2.0
72.38084	0.8
79.05473	45.4
81.03384	5.1
81.07036	45.9
83.04956	10.6
83.08607	8.2
84.57127	0.8
85.06522	1.6
91.05460	32.8
93.07018	53.1
94.12251	0.7
95.04939	13.9
95.08579	22.1
97.06504	6.0
97.10136	1.2
105.07015	24.8
107.04918	3.3
107.07872	0.9
107.08570	22.0
109.06484	3.5
109.10145	3.1
111.08075	3.7
111.11636	0.8
117.07001	9.3
117.21851	0.8
119.08555	17.7
121.06457	3.4
121.10127	8.7
123.08053	1.6
124.85229	0.8
128.06210	1.3
129.06972	8.2
131.08548	4.9
133.10085	8.1
135.08043	1.0
135.11658	4.0
142.07800	1.1
143.08537	6.3
145.10117	6.1
147.08040	1.5
147.11652	19.0
149.09547	0.9
149.13231	11.2
159.11705	6.1
161.09592	1.2
161.13206	4.4
171.11691	8.2
183.13184	0.8
189.12679	1.5
191.14508	0.8
193.87015	0.9
195.13765	1.6
207.13747	6.8
269.17410	20.8
281.17471	18.0
284.02621	0.8
307.80814	1.0
316.52682	0.7
457.29535	1.0
460.47922	0.8
475.30432	100.0
476.30734	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.4159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.2
53.03950	0.5
55.01867	0.6
55.05505	7.3
57.03427	8.3
57.07065	67.6
61.02911	23.3
67.05146	0.7
67.05489	17.4
69.03406	3.1
69.07054	12.3
71.08611	47.5
73.02892	8.6
75.04454	2.6
79.05460	1.0
81.07035	23.4
82.48398	0.5
83.08608	16.4
85.02885	24.2
85.06496	0.5
85.10166	27.0
87.04449	0.6
91.03391	1.0
91.03929	18.7
91.05486	1.1
93.07006	2.8
95.08581	35.5
97.02869	11.5
97.10139	9.8
99.04458	0.9
99.08029	0.6
99.11687	1.0
101.02403	0.5
103.07561	0.7
105.06994	1.2
107.08580	1.9
109.02789	0.6
109.06519	1.1
109.10138	16.8
111.11699	0.8
115.03872	0.6
117.07030	0.5
119.08569	0.5
121.10140	0.5
122.76790	0.5
123.11684	7.0
125.13210	0.8
127.03873	5.5
133.10097	1.1
137.13216	2.9
145.04927	6.7
149.09492	0.6
151.14711	0.7
159.11697	0.8
163.05910	5.5
165.16382	0.8
171.11710	0.8
221.22614	1.0
222.16026	0.6
239.21397	1.0
239.23650	19.6
257.24591	6.0
288.52310	0.5
313.27298	100.0
314.27744	0.6
331.28336	32.1
475.32330	2.4
554.67084	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2496
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	0.6
69.03423	3.1
70.81042	0.5
71.54046	0.5
77.17033	0.6
82.17426	0.6
82.52663	0.6
85.02881	5.3
91.05474	1.4
97.02858	1.0
103.05465	2.5
104.55393	0.7
105.07038	0.7
107.04939	0.7
109.02857	0.9
111.04395	0.6
115.05435	1.0
122.03601	0.7
123.04401	2.6
127.03918	1.4
127.17036	0.6
128.06197	0.9
129.06964	7.0
131.04898	3.6
131.08530	7.0
133.10143	0.7
135.04456	0.7
137.05960	19.8
139.03851	0.6
141.06958	7.0
143.08546	3.2
145.06494	1.0
151.07521	5.4
157.06447	10.3
158.07246	3.0
159.07997	6.8
161.09547	0.8
163.07474	4.2
169.06459	5.2
170.07257	3.4
171.08066	3.8
174.06725	17.2
175.07498	7.0
178.77446	0.6
186.06758	7.3
187.07539	3.1
188.08286	2.6
189.09061	41.3
190.09528	0.8
191.10666	1.2
201.09079	27.7
203.10661	7.7
219.10127	38.2
238.21216	0.7
325.14297	1.5
351.10672	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	672.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79205	0.6
52.30333	0.7
53.03941	7.5
55.01867	7.0
55.09709	0.6
57.03432	7.9
57.41555	0.6
59.73635	0.7
61.02922	8.0
67.05492	1.0
68.99782	1.7
69.03418	44.1
71.04972	5.4
73.02905	7.7
79.05476	1.0
81.03403	35.0
85.02892	100.0
87.00816	60.7
87.04477	1.7
91.03938	3.1
91.05465	92.6
92.05744	0.7
95.08625	0.8
97.02875	47.1
99.04433	12.7
100.81127	0.7
101.02389	1.0
103.03939	0.9
105.01852	52.8
109.02864	34.3
114.65408	0.9
115.03886	0.9
117.01833	3.5
127.03898	65.3
129.01854	4.0
145.04950	19.6
147.02910	0.9
151.03954	0.8
159.02864	12.2
189.03893	1.0
206.68121	0.8
212.09348	0.8
213.03949	6.3
221.15353	1.4
231.04971	21.1
245.08139	3.4
249.06065	8.1
253.06955	1.2
313.20059	1.4
350.66281	0.8
542.46417	0.8
602.22339	0.8
669.33600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	671.3625
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52926	2.3
54.81925	2.5
55.01858	19.2
55.05503	57.5
57.03430	21.8
61.05376	2.6
65.01097	2.6
67.05495	57.6
69.03423	20.1
69.07048	18.0
71.04980	12.6
73.02903	2.8
79.05471	62.4
81.03393	61.3
81.07040	46.8
83.04950	18.3
83.08600	30.4
85.02872	14.1
91.05472	37.4
93.07011	36.8
95.04955	36.4
95.08571	22.1
97.02862	7.0
97.06509	10.9
97.10130	40.8
105.07008	37.3
107.04929	39.2
107.08587	28.0
109.02831	5.3
109.06487	20.9
109.10117	15.9
111.04427	4.1
111.08069	11.7
117.07005	17.5
119.08577	23.4
121.06497	29.6
121.10122	21.2
123.04371	3.7
123.08024	11.2
125.09603	35.7
129.06981	7.3
131.04933	5.0
131.08537	23.8
133.06467	4.3
133.10088	7.0
135.08041	6.7
137.09557	4.8
141.07018	4.5
142.07704	3.2
143.08536	5.9
145.06490	17.0
145.10127	17.1
147.08022	7.0
147.11691	13.9
149.09589	6.9
149.19833	3.1
153.09064	4.3
155.08545	5.3
157.10077	11.6
159.08003	4.3
159.11656	3.2
161.05940	4.0
161.09624	3.4
163.11156	4.2
165.09111	4.8
171.11696	4.2
173.09633	3.7
175.11150	6.5
181.10132	5.3
185.13243	3.0
189.11176	15.8
193.12222	14.4
195.11620	5.2
215.14255	3.9
219.13751	3.5
227.12668	3.9
231.13759	3.9
233.15237	6.5
267.15872	18.7
273.14835	13.2
339.23236	4.0
349.21771	5.0
357.24277	3.7
367.22836	28.6
385.23776	38.5
403.24414	11.8
441.26199	13.5
453.28394	3.6
459.27286	100.0
477.28278	93.2
491.29807	7.1
501.28738	4.1
509.30890	4.6
659.62360	3.2
690.54779	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	671.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	3.0
53.03930	16.8
55.01864	35.9
55.05507	53.2
55.05760	4.9
57.03428	45.6
57.07075	3.9
59.04985	6.4
60.51976	2.5
61.02898	3.9
65.03922	3.1
67.05141	4.4
67.05487	99.1
67.05843	4.2
69.03071	3.4
69.03409	53.2
69.07040	19.0
71.01330	4.3
71.04969	20.0
73.02901	36.8
79.05048	4.1
79.05476	71.9
79.13503	2.6
80.52824	3.0
81.03400	100.0
81.07031	59.2
83.01308	11.2
83.04961	54.6
83.08586	24.0
85.02882	36.9
85.06505	4.4
91.05457	52.8
93.07027	56.0
95.04942	37.6
95.08595	29.8
97.02863	40.8
97.06483	15.8
97.10129	14.3
99.04413	14.9
101.02359	4.3
103.05428	3.9
105.07017	36.6
107.04940	33.8
107.08559	34.5
109.02859	16.9
109.06495	18.4
109.10151	48.1
111.04413	18.0
111.08050	14.3
116.04626	4.5
117.06982	20.3
119.08574	35.8
121.06470	11.8
121.10123	18.6
123.04399	3.4
123.08012	6.1
125.09625	13.1
127.03868	17.2
129.05486	20.4
129.06946	5.0
131.08501	17.2
132.00647	3.2
133.10120	4.1
135.04398	7.3
135.08009	4.6
135.11699	27.6
137.09564	4.7
143.06999	3.3
145.10072	27.1
147.11629	13.2
149.09573	4.3
153.12723	17.7
157.08626	6.9
157.09946	4.6
163.11134	37.2
165.09073	13.0
172.45203	2.8
173.09572	4.8
173.11728	5.8
181.12137	15.4
191.10666	7.3
195.08731	3.3
209.11668	5.5
227.12718	18.8
229.14288	23.7
232.84142	3.3
257.92972	3.4
283.15363	36.4
301.16461	19.9
306.76053	2.8
313.10385	3.4
353.15775	4.2
427.19452	18.2
437.25171	44.6
623.66742	3.3
653.31836	22.0
671.32269	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	671.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	3.0
53.03930	16.8
55.01864	35.9
55.05507	53.2
55.05760	4.9
57.03428	45.6
57.07075	3.9
59.04985	6.4
60.51976	2.5
61.02898	3.9
65.03922	3.1
67.05141	4.4
67.05487	99.1
67.05843	4.2
69.03071	3.4
69.03409	53.2
69.07040	19.0
71.01330	4.3
71.04969	20.0
73.02901	36.8
79.05048	4.1
79.05476	71.9
79.13503	2.6
80.52824	3.0
81.03400	100.0
81.07031	59.2
83.01308	11.2
83.04961	54.6
83.08586	24.0
85.02882	36.9
85.06505	4.4
91.05457	52.8
93.07027	56.0
95.04942	37.6
95.08595	29.8
97.02863	40.8
97.06483	15.8
97.10129	14.3
99.04413	14.9
101.02359	4.3
103.05428	3.9
105.07017	36.6
107.04940	33.8
107.08559	34.5
109.02859	16.9
109.06495	18.4
109.10151	48.1
111.04413	18.0
111.08050	14.3
116.04626	4.5
117.06982	20.3
119.08574	35.8
121.06470	11.8
121.10123	18.6
123.04399	3.4
123.08012	6.1
125.09625	13.1
127.03868	17.2
129.05486	20.4
129.06946	5.0
131.08501	17.2
132.00647	3.2
133.10120	4.1
135.04398	7.3
135.08009	4.6
135.11699	27.6
137.09564	4.7
143.06999	3.3
145.10072	27.1
147.11629	13.2
149.09573	4.3
153.12723	17.7
157.08626	6.9
157.09946	4.6
163.11134	37.2
165.09073	13.0
172.45203	2.8
173.09572	4.8
173.11728	5.8
181.12137	15.4
191.10666	7.3
195.08731	3.3
209.11668	5.5
227.12718	18.8
229.14288	23.7
232.84142	3.3
257.92972	3.4
283.15363	36.4
301.16461	19.9
306.76053	2.8
313.10385	3.4
353.15775	4.2
427.19452	18.2
437.25171	44.6
623.66742	3.3
653.31836	22.0
671.32269	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	671.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	1.0
53.03730	0.9
53.03939	12.1
55.01867	19.5
55.05503	39.6
57.03429	29.6
57.07047	4.5
59.04970	5.7
65.03917	2.7
67.05490	100.0
67.39152	1.0
69.03412	44.8
69.07048	13.9
71.01320	6.8
71.04980	10.3
73.02898	31.0
79.05475	48.3
81.03396	70.4
81.07040	39.0
82.00081	0.9
82.04175	1.1
83.01330	1.7
83.04961	25.1
83.08602	15.6
85.02885	24.2
85.06518	4.8
87.04405	1.2
87.67603	1.2
91.05458	32.8
93.07021	28.4
95.04943	31.3
95.08576	15.9
97.02860	29.5
97.06505	9.6
97.10149	13.6
99.04430	6.0
101.02299	1.2
103.05447	1.4
105.07012	13.9
107.04937	21.7
107.08579	20.2
109.02863	13.6
109.06496	8.6
109.09390	1.9
109.10133	58.9
111.04443	11.1
111.08040	5.9
115.03910	1.6
116.04713	1.5
117.06989	9.8
119.08555	17.3
121.06488	5.4
121.10113	7.1
123.04398	9.2
123.08044	2.5
125.05989	1.3
125.09596	12.9
127.03917	9.9
129.05467	8.8
129.06969	5.7
131.03397	1.3
131.08548	8.5
131.37431	1.0
133.10100	8.4
135.04402	6.4
135.08047	2.5
135.11684	7.3
137.05911	1.6
137.09604	4.2
143.08586	2.5
145.10123	9.5
147.07967	2.4
147.11601	4.2
149.09599	2.8
151.11099	1.5
153.05499	4.3
153.09058	1.7
153.12717	2.7
155.08528	1.6
155.10748	1.9
157.10121	4.2
159.11668	1.8
161.05998	1.4
163.11116	11.2
171.06415	1.3
173.04413	7.6
173.09560	4.1
173.11711	13.9
175.11104	2.1
189.11194	2.0
193.12190	6.0
199.05969	2.3
199.13264	5.6
209.11679	10.6
211.13170	2.5
217.07043	2.1
227.12718	5.4
229.14334	17.9
255.15903	1.4
267.15866	4.8
283.15405	10.5
283.18289	1.5
285.17178	1.4
301.16418	2.5
353.23093	1.9
363.17535	1.2
371.23938	1.9
383.24081	8.2
437.25290	12.0
455.25998	2.1
509.27646	1.8
653.31781	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	668.3401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	11.8
55.05727	1.4
57.03425	2.8
58.26380	1.5
67.05497	22.9
67.08999	1.4
69.03409	3.3
69.07070	7.2
71.04967	3.7
79.05475	22.4
81.02928	3.1
81.03403	81.9
81.07039	23.0
83.04961	10.6
83.08607	16.0
85.02895	11.5
85.06503	1.8
85.39631	1.3
88.90551	1.7
91.05460	33.4
93.07008	13.9
95.04949	21.6
95.08602	9.2
97.02863	1.9
97.06534	3.9
97.10162	2.3
98.98495	2.1
105.07018	24.1
107.04957	7.3
107.08585	7.2
109.06528	3.7
109.10154	3.8
111.08072	7.7
119.08575	22.3
121.06512	2.7
121.10140	7.4
123.04442	2.2
123.08075	2.0
129.06963	15.8
131.08549	13.3
133.06413	2.1
133.10109	10.3
147.08015	2.7
147.11688	10.0
149.09622	6.1
157.10132	9.8
167.82227	1.8
175.11148	9.6
179.07098	2.0
193.12233	22.2
211.13354	3.8
236.16388	8.5
267.15729	2.4
459.27344	9.6
477.28430	100.0
582.27820	3.4
600.29565	13.6
618.29938	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	668.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
51.52628	1.1
53.03930	1.9
55.01867	5.2
55.05506	11.7
55.05714	1.3
57.03428	26.1
57.07067	1.7
59.04990	6.1
59.90969	1.1
61.02919	2.0
67.05492	100.0
69.07065	3.0
69.42002	1.1
71.04968	3.0
76.90807	1.1
79.05469	13.6
81.03400	75.5
81.07030	21.5
83.04981	5.4
83.08594	21.1
85.02895	2.5
85.06541	2.6
91.05469	19.4
93.07022	11.2
95.04945	27.6
95.08600	10.3
97.02863	1.5
97.10184	1.7
99.08054	1.3
103.77319	1.3
105.07009	14.7
107.04919	4.5
107.08584	8.4
109.06496	5.6
109.10143	94.6
111.08072	9.5
117.07005	1.5
117.46440	1.5
119.08547	20.1
121.06442	1.5
121.10168	7.0
123.04386	1.8
123.07998	1.8
129.07007	6.9
131.08572	10.8
133.06517	1.5
133.10136	8.2
137.09618	3.0
142.07791	1.7
145.10085	5.5
147.08095	2.2
147.11658	7.9
149.09645	3.4
155.10669	5.9
157.10074	10.9
173.11693	25.0
175.11147	8.5
185.13411	1.5
193.12202	22.6
193.13756	1.9
201.32635	1.3
219.92009	1.4
229.14311	81.3
229.20485	1.5
267.12991	2.8
267.15851	80.0
294.88583	1.7
329.20993	2.7
403.24661	8.2
421.25735	92.1
422.26279	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	666.4336
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08157	7.9
71.07359	4.5
77.63853	0.5
81.06984	0.7
86.09692	42.7
89.87134	0.5
90.50503	0.5
95.08575	0.9
98.98444	2.6
103.54876	0.5
104.10718	2.6
117.25938	0.5
124.99979	32.3
184.07301	100.0
185.07510	0.6
381.57529	0.6
598.87482	0.6
666.43103	11.0
667.43671	0.7
695.25232	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.1686
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03408	0.3
60.58194	0.3
60.87642	0.3
63.55700	0.3
64.78049	0.3
69.03412	0.5
83.04967	0.8
85.02872	1.7
97.02663	0.4
111.04400	0.5
138.99989	4.4
153.01593	0.7
153.05176	0.8
163.00005	0.5
169.04716	0.5
171.06467	0.4
174.05043	0.3
187.05762	1.6
189.07188	0.3
199.02086	1.6
199.03891	0.3
199.93239	0.4
211.05704	5.1
229.06784	16.2
262.43863	0.3
309.05710	0.5
327.03659	0.3
327.06750	17.2
345.07834	100.0
346.08096	0.7
363.08893	6.0
667.16687	5.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.3294
Annotation	strychnogucine B
Peak:m/z	Relative Intensity
53.03928	0.5
55.05492	0.9
57.03421	2.6
61.02924	5.2
67.05499	4.0
67.69646	0.5
69.03407	2.5
71.04970	0.5
73.02895	3.7
79.05483	3.7
79.51447	0.5
81.03394	4.2
81.07039	3.2
83.04961	1.1
83.08601	0.6
84.58582	0.4
85.02892	5.3
90.23346	0.4
91.03945	3.3
91.05449	3.4
92.09321	1.8
93.07030	4.4
93.07542	0.5
95.04951	0.9
95.08582	0.6
97.02873	4.6
97.06472	0.6
99.04424	0.8
101.02364	1.1
105.06988	0.8
107.08599	2.0
119.08574	2.4
121.10112	0.8
127.03905	0.9
129.06978	0.7
131.08511	0.6
133.10170	1.8
133.59676	0.4
135.11674	4.7
147.11710	0.8
157.10155	0.8
162.25093	0.5
167.14088	0.6
175.11250	0.7
193.12251	2.2
213.27280	0.5
221.11482	1.9
243.08356	2.6
439.19342	7.2
469.20328	11.2
667.32886	100.0
668.33044	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	667.4538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34233	1.1
55.05508	1.2
56.72736	1.1
60.66935	1.2
66.46768	1.1
67.05484	1.8
79.05505	2.4
79.81920	1.2
81.07032	2.2
91.05462	1.5
92.08619	2.5
92.14245	1.6
93.07040	3.1
95.08569	1.5
95.72865	1.3
99.07307	1.2
107.08556	1.9
165.54060	1.3
218.65770	1.4
244.72195	1.6
317.21014	3.0
373.23474	2.5
510.67004	1.4
667.45361	100.0
668.45715	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	665.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	1.4
57.03427	2.1
61.02919	7.6
62.68500	1.2
67.05490	5.9
69.03411	4.0
69.07054	1.7
71.47056	0.8
73.02892	4.6
79.05465	5.3
81.03402	4.8
81.07035	4.6
82.48521	1.0
83.04974	1.2
85.02898	6.5
86.60804	0.9
91.03967	3.6
91.05464	1.9
92.09336	2.8
92.98711	0.9
93.07016	8.2
95.04939	2.1
95.08579	1.1
97.02881	5.5
99.04447	2.0
101.02375	1.7
105.07020	1.4
107.04920	1.6
107.08590	5.8
109.02865	1.0
109.10174	2.1
119.08543	2.3
127.03879	1.5
135.11702	6.2
140.55983	1.1
145.10065	3.7
163.11194	2.0
219.30450	1.0
221.02681	1.3
243.08401	1.4
254.79410	1.1
439.19107	10.2
467.18961	9.1
665.31281	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	665.3504
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.8
55.05505	1.2
57.03421	1.8
60.64999	0.8
61.02908	4.1
67.05481	9.3
69.03421	5.6
69.07050	1.5
69.39272	0.9
71.04951	1.3
73.02889	2.0
79.05474	5.3
80.57514	0.8
81.03394	2.1
81.07033	8.8
83.04948	1.3
83.08611	1.3
85.02894	5.0
85.06519	0.9
87.70071	0.8
91.03925	1.4
91.05486	2.2
92.34357	0.9
93.07012	8.3
95.04948	1.6
95.08602	4.0
97.02869	5.9
101.02375	1.2
105.07011	1.6
107.08576	5.9
109.10133	1.2
117.07014	1.2
119.08589	2.1
121.06574	1.0
121.10157	1.9
127.03915	1.7
127.61018	0.9
131.08530	1.9
133.10172	1.7
145.10164	1.7
147.11746	1.1
149.13214	4.1
159.11691	1.1
209.45392	0.9
235.13078	1.0
243.08304	1.3
269.17371	0.9
291.15686	1.5
384.06836	0.9
453.20779	20.7
531.29187	1.1
665.34857	100.0
666.35352	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4627
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81768	4.0
55.05508	7.5
56.95541	2.8
57.03432	21.5
57.07071	42.9
59.05009	3.1
59.60001	2.6
60.73295	3.0
61.02919	5.1
61.13935	3.0
67.05497	100.0
69.07059	4.7
71.08614	26.9
77.26547	2.7
79.05488	3.3
81.07041	23.8
83.08628	7.7
83.70254	3.3
85.10167	8.4
92.08710	16.3
92.09350	7.5
93.07031	4.9
95.08600	31.6
95.09114	3.7
109.10143	89.4
111.08109	3.9
119.08582	4.5
133.10104	4.2
168.26036	3.5
173.11697	22.3
229.14316	86.8
245.89107	3.6
313.27313	76.1
467.37241	51.9
528.18005	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	664.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03952	2.4
55.05495	13.9
57.03442	16.0
67.05488	89.6
67.05847	3.6
69.07048	12.1
71.01308	1.8
71.04967	19.6
72.79561	1.9
79.05058	2.3
79.05473	36.1
81.03383	4.3
81.07048	26.3
83.04958	8.5
83.08588	4.3
85.06527	3.7
91.05467	22.7
91.97412	2.1
93.07022	53.3
95.04953	8.8
95.08588	11.9
97.06492	11.9
97.10167	3.7
105.06994	2.8
107.08582	39.2
109.10134	59.9
111.08054	2.9
111.14064	1.9
117.07008	4.1
119.08543	14.0
121.10106	10.5
133.10104	4.1
135.11676	42.8
137.09586	8.8
145.10109	11.1
163.11174	8.4
173.11665	12.3
181.12186	4.5
255.15921	12.3
287.18378	2.8
409.25772	38.9
423.27155	3.8
435.27298	100.0
467.29776	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.4179
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28357	0.7
53.00304	1.3
53.73928	0.7
55.05499	10.8
57.03428	1.8
57.07069	24.2
67.05490	17.2
69.07062	6.0
69.84595	1.0
71.08610	16.1
79.05477	12.5
81.03394	11.0
81.07041	22.7
83.04958	6.1
83.08588	8.3
85.02894	7.5
85.06519	0.9
85.10176	9.0
87.04446	1.0
91.05455	17.3
93.07024	8.4
95.04943	9.6
95.08586	19.0
97.06480	1.2
97.10152	4.1
105.06998	9.6
107.04935	4.5
107.08585	4.4
109.06512	1.2
109.10138	7.7
111.08059	0.9
119.08583	9.2
121.10105	5.1
123.11710	1.9
129.06985	5.8
130.37581	0.9
131.08527	4.4
133.10114	5.4
137.13214	1.1
142.07732	1.1
145.10141	1.4
147.08107	1.2
147.11667	6.3
149.09677	1.2
154.26990	1.0
155.01068	1.8
157.10109	4.8
159.11726	1.3
164.90355	1.0
175.11122	2.3
182.39272	1.0
184.07349	2.0
193.10698	0.9
193.12227	7.5
211.13269	3.8
218.15349	1.5
224.97028	0.9
236.16464	5.8
254.17459	1.3
282.27869	1.7
285.16733	1.4
313.27371	6.0
408.17264	1.2
505.38727	3.4
523.39850	100.0
524.40039	3.7
584.31818	1.2
628.39392	2.0
646.40173	6.9
663.44977	1.7
664.45496	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	664.2232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	16.0
55.01867	10.8
55.05509	1.2
57.03418	7.6
61.02905	7.7
68.99763	13.5
69.03413	49.7
71.04973	7.9
73.02902	11.0
74.50505	1.0
81.03396	70.3
83.01359	1.3
83.04964	2.5
84.08131	3.1
85.02890	76.8
87.00811	23.3
91.03934	1.2
91.05450	1.8
92.09229	1.7
93.07027	1.4
93.26282	1.2
95.04956	2.0
95.08540	1.4
97.02864	48.9
99.04432	21.2
103.03919	8.1
105.01839	7.3
105.07011	1.5
107.04935	73.9
107.08535	1.6
108.36331	1.2
109.02859	100.0
109.10089	1.4
111.04421	7.0
113.02316	2.1
115.03918	2.8
117.01821	2.0
119.08520	1.8
121.02817	1.4
121.06502	9.8
123.04417	10.5
125.02328	5.0
127.03891	82.1
129.01813	10.8
131.04901	1.6
131.08601	1.3
133.09990	1.2
135.04390	2.3
135.11676	1.4
139.03865	2.4
141.01802	26.9
145.04933	12.3
145.06516	1.7
145.10075	2.5
147.02855	2.9
147.04398	5.2
149.05966	6.2
151.03917	2.0
159.02820	15.5
161.05945	4.8
165.05457	1.4
167.07001	1.5
169.99750	1.2
171.02888	4.7
173.05963	1.9
175.03867	1.3
184.07230	2.4
187.07509	1.2
189.03883	5.1
189.05461	2.7
195.02882	2.4
197.05969	3.0
201.03944	1.7
201.16389	1.5
211.07468	1.5
213.03877	9.1
217.04846	1.5
231.04865	12.1
239.06966	7.0
249.05952	2.1
255.10144	1.8
267.09979	2.0
273.06061	2.1
279.10153	2.0
281.08133	2.5
285.05911	1.5
291.07007	2.8
297.05930	2.0
297.11200	8.3
315.07074	2.5
321.11185	5.1
333.08075	11.8
339.07135	2.0
345.11111	5.3
357.08066	9.1
357.73215	1.3
363.12216	6.7
375.09021	7.8
387.12036	2.5
405.13110	1.9
429.13239	2.0
575.15161	6.4
593.16394	6.1
611.17651	5.9
629.18353	4.9
647.19257	5.6
664.22150	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	664.39
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.0
54.81300	1.8
55.01865	3.2
55.05501	23.3
57.03428	29.1
61.02920	3.2
67.05492	52.5
69.03407	7.7
69.07050	16.3
69.31334	1.6
71.04989	4.0
79.05473	43.3
81.02930	2.7
81.03399	60.1
81.07037	86.3
81.46376	1.8
83.04963	17.2
83.08608	22.3
85.02883	24.1
85.06535	3.7
86.09702	2.9
91.05459	46.3
93.07018	33.6
95.04946	24.2
95.08581	30.3
97.02867	4.1
97.06516	7.8
105.06362	3.7
105.07015	60.5
107.04935	3.2
107.08598	15.9
109.06512	9.7
111.08045	10.8
115.05487	2.1
117.06992	3.3
119.08552	41.0
121.10106	23.6
123.08040	3.7
123.11715	4.5
129.06967	12.2
131.08524	11.2
133.10101	11.9
142.07794	2.4
145.10088	4.1
147.08038	1.9
147.11655	35.0
149.09589	4.4
157.10100	17.8
165.12738	14.8
175.11108	14.0
184.07323	9.2
193.12192	34.7
211.13274	35.1
239.16338	51.7
267.15775	4.7
285.16904	44.7
340.92496	1.8
409.14490	2.0
421.90912	2.0
431.27795	12.0
449.28836	100.0
467.29861	2.6
638.82770	2.4
678.59564	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	663.4528
Annotation	Unknow
Peak:m/z	Relative Intensity
54.98411	0.5
55.05486	1.1
57.07067	61.9
62.96009	0.5
66.77048	0.5
66.78242	0.6
67.75967	0.6
87.04439	1.4
91.05446	8.2
105.07001	1.4
106.79855	0.6
109.37624	0.6
117.06969	0.8
117.82756	0.6
118.88167	0.7
119.08519	1.3
147.11664	9.0
152.06235	0.9
153.06984	3.1
171.07965	0.9
175.01595	0.7
228.09265	0.8
233.03568	6.5
251.04616	18.6
254.12250	0.7
307.10620	1.5
327.07730	100.0
383.13980	59.9
402.17145	0.7
439.20230	65.5
495.26498	42.5
542.70801	0.8
551.32782	51.0
607.38959	55.6
608.39923	1.0
627.86835	0.8
663.45264	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	662.4987
Annotation	Unknow
Peak:m/z	Relative Intensity
52.00621	3.2
52.72957	4.0
55.00351	3.1
55.05505	43.1
57.03417	8.6
57.07059	6.8
66.79859	3.7
67.05494	78.0
69.07059	32.3
73.94528	3.6
79.05473	77.3
81.07037	82.6
83.08572	8.6
87.04459	6.3
91.05463	78.5
93.07022	89.1
95.04949	9.0
95.08579	54.1
105.07011	100.0
107.08566	46.7
108.08891	5.6
109.10147	24.9
117.07033	35.8
119.08553	53.1
121.10139	25.2
129.06975	9.4
131.08546	44.9
133.10095	35.1
133.11029	4.3
134.10490	4.4
135.11674	15.0
141.06978	6.7
143.08549	19.3
143.34296	4.9
145.10107	34.3
147.11661	14.9
155.08528	16.3
157.10097	28.6
159.11656	29.4
161.13275	6.3
169.10106	17.5
171.11629	9.2
173.13232	9.0
175.14966	4.9
183.11618	19.7
185.13239	9.1
187.14886	5.2
195.11649	6.5
197.13213	7.6
199.14850	6.3
209.13225	5.3
213.16220	5.5
233.26947	4.2
259.20407	6.3
374.73373	4.4
433.10043	4.4
609.44965	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.4023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07249	2.4
53.03941	3.2
55.01860	5.5
55.05504	20.4
57.03427	4.5
57.07068	27.6
64.30052	2.8
64.33864	3.1
67.05499	42.5
69.07049	18.9
71.08614	7.5
79.05474	37.3
81.07047	58.8
82.16416	3.0
83.04966	6.6
83.08613	16.2
85.06501	3.8
85.10184	5.5
87.04456	15.7
91.05479	29.0
92.08659	8.7
93.07029	47.5
94.07404	3.6
95.04949	19.8
95.08595	47.3
97.10160	12.9
105.06991	21.8
106.07379	3.1
107.04931	4.8
107.08574	29.0
109.06520	5.2
109.10149	17.6
110.30425	3.4
111.04427	12.0
111.08076	3.8
117.07042	11.3
118.92329	2.9
119.08532	21.3
121.06453	5.5
121.10123	19.6
123.08061	6.6
125.09601	4.1
129.06966	4.0
131.08546	5.1
133.10136	3.5
135.11668	41.3
145.10121	27.8
163.11171	43.9
178.77670	3.0
181.12230	6.6
191.36101	4.0
227.12755	40.9
273.18335	4.7
291.19629	5.6
297.38120	3.1
312.41025	3.2
335.25952	5.6
338.49457	3.1
521.38312	100.0
572.01361	3.5
573.24878	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	662.4985
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82041	8.6
55.05506	37.9
56.62615	7.1
57.07069	15.5
57.56694	7.6
59.70278	7.1
64.33764	8.8
67.05497	85.4
69.07046	47.1
79.05463	67.7
81.07021	81.5
87.04443	41.9
91.05447	72.2
93.07013	100.0
95.04924	15.0
95.08601	67.7
105.07035	62.9
107.08593	52.6
109.10138	18.3
117.06998	14.2
119.08561	45.7
121.10141	41.9
121.92805	9.1
133.10118	39.4
135.11705	11.0
137.09560	9.2
143.08511	9.0
145.10081	18.3
147.11690	17.1
157.10133	14.9
159.11667	21.4
164.96230	8.1
335.25562	21.5
349.23453	9.7
375.87204	10.3
529.39124	15.5
580.05139	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	662.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10453	1.0
53.03930	2.0
55.01852	1.5
55.05505	16.2
57.03429	17.8
61.02907	5.1
65.03918	2.1
67.05490	48.2
69.03405	2.1
69.07064	12.4
71.01334	2.0
71.04977	5.7
71.20212	1.1
73.02896	1.6
74.22710	1.0
79.05474	43.6
81.03394	23.5
81.07034	34.9
83.04963	18.2
83.08590	10.0
85.02884	9.8
85.06534	5.8
87.04456	1.6
91.05460	33.1
92.63735	1.3
93.07021	47.9
95.04938	30.3
95.08597	16.2
97.02879	5.0
97.06492	10.5
97.10126	9.7
99.08048	1.6
105.07018	22.5
107.04955	8.5
107.08577	33.8
109.06496	7.3
109.10149	9.3
111.04423	1.3
111.08068	4.1
117.07011	6.6
119.08562	18.3
121.06464	1.9
121.10092	12.0
123.08073	1.5
123.11694	2.2
125.09631	2.0
129.06972	6.4
131.08543	9.4
133.06448	2.8
133.10085	13.4
135.08046	7.5
135.11674	35.7
143.08528	1.6
143.49834	1.1
145.10100	11.1
147.08134	1.5
147.11603	9.3
149.02325	13.3
149.03372	1.6
149.09656	4.7
151.11166	6.2
157.10112	6.9
163.11145	9.1
165.12723	2.3
175.11137	9.1
181.12248	5.9
184.07237	1.4
193.04980	6.7
193.12195	13.4
211.13219	8.6
255.15840	32.0
267.15817	11.3
284.16245	1.3
285.16794	9.2
373.23810	1.6
403.09998	1.6
421.26016	1.6
429.11581	5.4
447.27271	27.7
464.27325	1.7
465.28381	100.0
473.14264	6.2
570.12708	1.4
662.31421	5.9
686.73083	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3743
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67767	0.7
53.03923	1.7
55.01863	4.2
55.05261	1.3
55.05506	24.3
57.03430	31.4
57.07050	1.2
57.41015	0.8
59.58213	0.7
61.02902	6.5
65.03928	0.9
67.05496	57.2
69.03416	4.2
69.07062	20.1
71.01340	4.6
71.04980	5.6
73.02911	1.4
77.03906	0.9
79.05476	55.9
81.03403	71.6
81.07042	40.9
81.07516	1.1
82.46953	1.0
83.04965	24.7
83.08609	23.5
85.02893	28.6
85.06528	4.4
91.03924	1.4
91.05461	38.3
92.09325	0.9
93.07027	58.9
95.04949	28.9
95.08587	12.9
97.02877	3.7
97.06524	13.0
97.10141	12.8
97.55302	0.8
99.04454	0.9
99.08076	2.0
105.07013	23.0
107.04942	8.8
107.08580	37.3
107.09295	1.6
109.06501	6.2
109.10146	6.4
111.04395	2.0
111.08082	8.5
113.06007	1.3
115.05407	1.1
117.07012	6.9
119.04982	0.9
119.08557	22.0
121.06503	1.4
121.10112	16.0
123.08045	1.6
123.11697	1.1
125.09610	3.3
129.06976	11.3
130.07730	0.9
131.08549	11.9
133.06456	1.5
133.10100	9.7
135.11676	35.8
137.09590	3.3
142.07748	3.2
145.10075	10.5
147.08023	3.3
147.11676	10.8
149.09604	5.4
157.10141	12.9
163.11169	5.8
165.12721	1.6
175.11143	13.7
177.12621	0.8
181.12250	5.2
193.12202	31.5
199.13350	0.9
211.13254	39.8
213.04617	0.9
255.15865	60.6
267.15863	20.7
285.16913	25.9
421.25775	1.5
447.27350	69.7
465.28400	100.0
466.28943	1.2
474.02237	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.2135
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16455	0.8
53.03926	1.8
55.01854	4.5
55.05501	13.9
57.03209	0.9
57.03429	13.2
59.04989	1.4
61.02908	2.0
63.20084	0.9
65.03917	1.3
67.01857	0.9
67.05481	8.2
69.03416	20.4
69.07046	1.9
71.01340	63.1
71.04977	24.2
72.94593	0.9
73.02885	6.6
75.04452	1.3
79.05474	7.1
81.03391	8.9
83.01324	1.8
83.04965	88.9
83.84496	1.1
85.02890	100.0
87.04450	4.1
91.05458	1.4
95.01297	4.0
95.04958	17.8
97.02888	16.5
97.06506	20.2
99.00776	1.2
99.04420	7.3
101.02370	1.6
101.05984	2.0
105.03405	1.2
107.04933	2.2
109.02866	8.6
109.03532	1.0
110.80780	1.0
111.04427	55.3
113.02352	13.9
113.05999	11.4
115.03897	1.8
117.01842	7.0
121.02861	1.4
123.00760	4.1
123.04413	4.8
125.02325	4.0
125.05987	7.0
127.03873	11.3
129.05457	15.2
133.06520	1.0
135.04349	4.5
137.02315	7.8
139.03902	6.6
141.01825	14.2
143.07051	9.7
147.06512	4.8
149.04477	0.9
149.05962	2.1
151.03865	5.7
153.05461	4.6
155.03333	1.4
157.04950	27.0
159.02921	1.9
167.03421	1.4
171.06487	50.9
175.05978	4.0
177.05428	1.4
179.03369	1.6
183.02814	1.5
187.02725	1.1
189.07513	9.5
195.06517	1.4
199.06079	1.5
209.04517	3.4
223.05992	2.1
225.04004	1.1
241.07018	12.7
251.05399	3.8
259.08084	18.8
260.45468	1.0
269.06564	9.2
287.07578	17.9
305.08615	31.1
323.09534	4.4
333.07919	1.1
340.07297	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	662.3381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.4
54.57234	3.4
55.05507	4.0
59.60313	3.3
67.05481	5.3
69.03406	9.2
69.07041	8.6
72.80688	3.5
79.05459	5.1
81.07027	17.2
83.04943	8.1
83.08616	5.9
85.02899	47.3
91.05473	9.8
91.30635	3.6
92.08643	7.2
93.07024	26.8
95.08594	17.5
97.02879	19.5
97.06503	4.1
105.07011	31.0
107.08587	40.1
108.63654	4.1
109.02867	35.6
109.10168	19.8
110.86192	3.9
111.08070	8.5
119.08547	69.7
121.10134	36.6
123.04391	6.1
124.49475	3.7
127.03883	17.6
131.08540	30.5
133.06439	5.5
133.10146	34.1
135.08063	6.0
135.11674	8.1
137.09573	7.4
139.03970	4.4
139.11151	20.9
143.08534	9.8
145.02879	5.8
145.10103	83.6
147.04427	7.8
147.08034	29.1
147.11678	28.4
149.09586	21.4
151.03870	5.4
155.08566	7.0
155.65027	4.4
156.09367	8.4
157.10149	18.7
158.10823	4.2
159.11670	29.7
160.08897	5.2
161.09575	4.9
161.13245	5.6
163.07568	4.7
163.11147	6.8
163.14813	5.2
165.09114	16.4
169.04962	16.1
169.10101	9.2
171.11682	30.0
172.08844	4.4
172.12442	7.9
173.09607	16.4
173.13211	34.5
175.14804	17.5
177.05487	8.4
177.16357	4.5
183.11720	16.5
185.09604	7.6
185.13249	19.4
186.10419	4.9
187.11215	6.6
187.14804	43.9
188.15599	20.7
189.12715	7.2
191.10512	4.6
194.15686	4.8
197.13304	16.6
199.11211	16.3
199.14951	4.9
200.65244	4.2
201.12724	19.9
205.15810	36.9
211.05940	4.9
211.11197	9.5
211.14854	6.7
215.10678	5.5
225.12782	15.3
227.14331	5.1
229.12114	5.3
239.14406	4.8
239.17921	17.8
242.12915	5.4
243.13799	25.6
245.15225	5.4
257.18994	19.9
267.17444	8.1
275.20132	4.8
285.18442	95.8
303.19543	100.0
318.23627	5.2
327.83252	4.2
391.83588	4.0
394.08160	4.2
546.28101	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	661.4649
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	2.9
56.27660	1.3
57.07049	2.0
58.29279	1.4
67.05499	8.0
69.07049	3.2
71.08598	1.6
73.44271	1.4
76.01241	1.7
79.05474	3.8
79.61610	1.3
80.54580	1.3
81.07040	14.5
91.05463	3.0
93.07024	7.9
95.08591	8.9
105.07027	8.8
107.08578	8.0
109.10149	6.7
119.08575	6.7
120.09022	1.6
121.10104	3.6
131.08533	1.7
133.10110	2.9
135.11644	1.9
143.08531	2.0
155.21190	1.7
161.13289	2.1
171.11754	1.7
181.91603	1.5
234.70959	1.4
349.19980	6.1
380.66443	1.6
405.22049	4.8
440.99200	1.5
532.53577	1.6
661.46338	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3951
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.4
53.03936	1.6
54.81672	0.5
55.01860	2.4
55.05503	10.8
57.03425	12.9
57.07045	0.8
61.02913	3.2
62.06973	0.4
62.86399	0.3
65.03920	0.8
67.05490	46.7
69.03392	1.3
69.07053	17.3
70.47041	0.4
71.01328	0.4
71.04978	3.6
73.02917	0.8
79.05001	0.4
79.05473	26.7
81.03397	3.0
81.07036	62.8
81.96264	0.3
83.04955	5.8
83.08603	11.1
85.02868	3.2
85.06513	2.8
91.03941	0.5
91.05457	15.2
91.05997	0.6
92.09296	1.0
93.07021	46.0
95.04938	4.2
95.08576	14.1
97.02863	1.7
97.06509	9.1
97.10144	0.8
99.08070	1.9
105.04453	0.5
105.07013	5.0
106.79743	0.4
107.04946	0.6
107.08572	25.7
109.06499	2.3
109.10130	3.4
111.08076	6.3
117.06986	6.4
119.08578	2.5
121.06512	1.5
121.10114	15.2
123.11689	1.9
125.09615	0.4
129.05502	0.5
131.08539	8.1
133.10095	7.8
135.08051	0.8
135.11687	5.9
145.10022	0.5
147.11662	0.9
149.09601	0.8
149.13231	22.9
149.86328	0.4
151.11188	0.6
153.09033	0.5
159.11661	12.0
167.14261	0.4
173.23672	0.5
177.12729	4.3
180.38789	0.4
194.01094	0.4
195.13728	6.4
213.14975	0.5
239.66360	0.4
269.17416	46.9
270.17776	0.7
270.91275	0.5
306.28354	0.4
406.64383	0.4
463.30438	100.0
464.30621	2.7
607.34717	0.6
651.81335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.4831
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	2.2
53.03930	4.7
54.13485	1.7
55.01867	7.8
55.05504	28.2
57.03419	4.6
57.07060	9.3
65.03919	2.4
67.05490	50.5
69.07054	34.4
71.04974	2.8
71.08619	2.0
71.52908	1.7
79.05471	50.5
81.03414	4.9
81.07040	90.3
82.07382	4.1
83.04974	9.6
83.08601	9.5
85.06492	1.8
91.05459	77.4
91.06006	3.4
92.05812	2.2
93.07025	74.7
94.07338	3.8
95.01311	7.2
95.04932	16.9
95.08591	58.0
97.06523	11.1
97.10159	2.6
105.07014	100.0
106.07377	2.4
107.04959	8.6
107.08578	53.5
109.06517	8.4
109.10146	27.0
111.08017	3.4
115.05450	2.5
117.07001	19.1
119.08563	71.8
120.08899	4.1
121.06506	2.6
121.10121	27.4
123.08024	4.2
123.11690	4.3
129.05457	2.7
129.07011	8.4
130.07687	2.5
131.08553	33.7
133.10114	46.5
135.07976	2.3
135.11641	14.9
137.09601	3.6
141.07005	2.7
142.07785	2.3
143.08569	11.4
144.09332	3.3
145.10106	31.5
147.11670	26.6
149.13245	4.9
155.08574	3.3
156.09384	2.4
157.10130	13.6
159.11687	21.5
161.13237	14.3
163.14807	3.2
169.10225	2.9
171.11682	8.9
173.13242	9.7
175.14781	9.6
185.13242	4.6
187.14839	4.8
189.16338	3.3
197.13179	2.1
199.14857	3.5
201.16396	3.4
209.13258	2.5
222.26154	1.9
241.19229	3.7
259.20587	8.9
275.20041	13.9
283.14471	2.2
333.24283	15.6
349.23734	10.7
464.44299	2.6
519.40338	2.6
607.43262	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	660.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	1.8
55.01852	1.2
55.05489	10.2
57.03415	6.6
61.02913	3.2
63.07623	1.2
64.26584	1.3
66.46320	1.6
67.05203	2.2
67.05492	36.0
69.07067	10.8
71.04967	2.7
71.47717	1.3
73.02912	2.7
74.59533	1.4
79.05479	24.5
81.03380	2.1
81.07035	55.4
83.04970	3.6
83.08596	11.4
85.02888	2.1
91.05470	18.1
92.09311	3.6
93.07025	37.6
95.04955	3.9
95.08575	13.0
97.02850	1.9
97.06493	7.6
105.07003	11.3
107.08585	20.3
109.06458	1.8
109.10145	2.1
111.08072	2.9
117.06967	7.1
119.08546	6.9
121.10125	12.7
131.08565	11.3
131.17258	2.1
133.10069	11.7
135.11665	6.7
145.10077	3.1
147.11713	2.2
149.13245	12.9
159.11639	10.3
171.11652	2.8
177.12683	2.8
195.13734	7.4
211.39497	1.6
269.17401	31.6
417.05453	1.8
418.55954	1.6
423.17661	1.6
445.29318	14.5
463.30463	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.7
55.01877	2.1
55.05511	15.0
57.03434	15.5
57.07062	1.4
57.97295	1.2
67.05489	36.1
69.03406	2.0
69.07056	11.6
71.05000	1.8
79.05473	40.6
81.03384	8.0
81.07047	28.2
83.04971	13.2
83.08597	11.2
85.02884	2.5
86.09674	10.9
91.05471	19.6
93.07023	63.9
95.04951	11.5
95.08585	26.1
96.08962	1.3
97.02860	2.0
97.06499	9.3
97.10148	7.6
99.04437	2.9
105.06989	11.9
107.04940	12.0
107.08580	42.1
109.06489	7.3
109.10133	6.0
111.08076	2.1
117.06985	8.6
119.08558	12.8
121.06489	5.9
121.10133	14.6
124.99951	6.8
125.05920	2.2
131.08557	1.9
133.10103	5.4
135.07986	2.3
135.11674	63.4
143.08488	2.0
145.10101	25.1
153.12724	1.5
157.10095	1.6
163.11154	51.2
181.12190	9.1
184.07317	23.1
227.12743	38.7
255.15871	50.1
275.84207	1.5
283.15356	26.3
442.44522	1.5
463.26813	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	660.3586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.6
53.03930	1.2
55.01863	9.3
55.05232	0.7
55.05502	19.5
56.25505	0.4
56.38618	0.4
57.03426	22.7
57.07057	1.3
59.05003	1.8
61.02910	6.6
65.03928	0.7
67.05487	42.4
69.03401	2.8
69.07048	13.4
71.01326	5.1
71.04971	7.5
73.02890	2.3
79.05471	48.2
81.03400	15.6
81.07034	30.4
83.01322	9.2
83.04964	18.7
83.08603	10.9
85.02880	7.9
85.06547	3.9
86.09681	3.1
91.03925	1.0
91.04884	0.7
91.05457	20.6
93.07017	60.1
95.04946	10.2
95.08579	12.4
97.02858	4.6
97.06503	13.5
97.10137	9.9
99.04416	2.5
99.08074	1.1
105.04474	0.6
105.07010	11.2
105.83454	0.5
107.04942	8.9
107.08571	35.7
109.06489	7.3
109.10143	6.1
111.04481	1.7
111.08045	2.6
111.88422	0.5
117.06989	9.6
119.08561	11.0
121.06490	4.3
121.10111	11.0
122.11964	0.5
123.08036	6.5
124.99996	2.4
125.05981	1.1
125.09592	1.2
129.06992	1.9
130.07744	0.9
131.08516	3.4
131.24304	0.5
133.10092	3.6
135.08031	3.2
135.11662	52.6
137.05943	0.7
137.09572	2.6
143.08548	2.1
145.06410	0.6
145.10094	19.8
147.08037	2.4
152.02496	0.6
153.12706	3.9
155.08566	1.0
163.11134	25.3
173.09657	3.6
181.12206	10.7
184.07275	6.2
184.88853	0.5
191.10649	1.0
209.11670	3.8
225.74268	0.5
227.12646	1.8
255.15845	61.1
256.16162	0.5
265.14233	0.8
274.82672	0.5
283.15338	36.2
304.71588	0.6
325.87195	0.5
380.13791	0.5
445.25623	3.2
463.26761	100.0
464.27322	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4359
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38706	0.1
55.01853	0.1
55.05487	0.6
57.07059	0.2
59.92151	0.1
67.05495	2.3
69.03424	0.2
69.07053	1.2
70.85903	0.1
76.56192	0.1
78.13848	0.1
79.05465	0.2
80.69793	0.1
81.07037	3.6
81.15656	0.1
83.04945	0.3
83.08598	0.3
84.08102	0.1
85.02891	0.2
91.05441	0.6
92.08698	0.3
93.07021	1.0
94.52199	0.1
95.08579	2.9
96.08831	0.1
97.10149	0.3
107.08566	0.9
109.10136	4.6
111.11716	0.1
119.08555	2.2
121.10092	0.7
122.07281	1.1
123.11668	0.8
135.08031	0.2
135.11650	0.6
137.09586	10.8
137.13232	0.3
149.09560	0.9
149.13222	0.7
151.07516	0.2
153.09070	0.2
163.07361	0.1
163.14737	0.3
165.09073	100.0
166.09407	0.7
177.09016	0.6
177.12653	0.2
179.10648	1.1
189.09021	0.2
189.12744	0.2
190.09816	0.2
190.87148	0.1
191.17976	0.1
205.12189	2.8
223.07417	0.1
232.52086	0.1
273.25858	0.2
291.26648	0.7
301.21463	0.2
425.34055	3.8
443.35001	2.3
462.15274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4367
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.4
56.02529	0.3
59.28793	0.4
66.67824	0.5
67.05489	3.1
69.03419	0.8
69.07043	2.8
72.79578	0.4
73.68666	0.4
79.05493	0.7
81.03376	0.6
81.07044	7.6
83.08573	1.8
83.99554	0.4
85.02869	0.9
86.28470	0.4
91.05443	0.9
93.07021	1.8
95.08579	5.6
104.20173	0.4
107.08556	2.7
109.02901	0.5
109.10140	8.5
119.08537	2.4
121.10129	0.7
122.07249	0.7
123.11684	1.1
135.11688	0.6
137.09598	11.1
137.13278	0.6
141.72446	0.5
145.09981	0.6
149.09583	0.7
149.13228	1.0
151.07530	0.6
165.09073	100.0
166.09393	0.7
179.10620	0.9
181.04907	2.3
182.50969	0.5
191.17992	0.5
205.12271	7.0
216.20775	0.5
233.15295	0.6
258.04761	0.5
294.89603	0.6
425.34174	5.4
443.34888	1.0
496.12619	0.5
497.12891	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	659.4362
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	0.7
57.07059	0.1
63.17338	0.1
64.54920	0.1
67.05489	2.6
69.07053	0.9
71.30519	0.1
77.03870	0.1
79.05470	0.7
81.03379	0.2
81.07037	3.7
83.04954	0.5
83.08603	0.4
85.02869	0.2
85.06527	0.1
91.05473	0.7
93.07018	0.9
95.04905	0.1
95.08582	2.8
97.06470	0.1
97.10130	0.2
105.06988	0.2
107.04895	0.2
107.08572	1.0
107.63436	0.1
109.06500	0.2
109.10141	4.6
119.08558	2.0
121.06512	0.1
121.10108	0.5
122.07294	1.0
123.08041	0.1
123.11677	1.1
132.07744	0.1
133.10127	0.1
135.11682	0.4
137.09593	10.2
137.13150	0.3
147.11768	0.1
149.09587	0.8
149.13193	0.5
151.07483	0.1
151.14737	0.1
153.09076	0.1
161.09657	0.1
161.13216	0.1
163.14821	0.4
165.09074	100.0
166.09404	0.9
177.03444	0.1
177.05399	0.2
177.09100	0.2
177.16335	0.1
179.10599	0.9
189.12714	0.1
190.09830	0.1
191.10701	0.1
191.17967	0.1
205.12186	2.1
273.25754	0.5
283.22662	0.1
291.26709	0.7
317.20981	0.1
328.61542	0.1
330.15793	0.1
425.34012	1.6
443.29547	0.1
443.35037	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	659.4363
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.6
60.16036	0.3
61.02910	0.4
61.35804	0.4
62.02119	0.4
67.05499	4.0
69.07043	2.3
79.05447	1.6
81.03416	0.5
81.07039	8.0
81.52395	0.4
81.82559	0.4
83.08566	0.6
85.02880	0.5
91.05466	0.8
93.07008	2.7
95.08581	4.1
97.02848	0.5
105.06974	0.7
107.08562	2.1
109.10140	5.7
119.08556	2.2
121.10099	1.8
122.07267	0.5
123.04395	0.7
123.11640	1.0
131.08476	0.5
135.11652	0.4
137.05925	0.4
137.09592	11.8
139.03856	0.9
139.11157	0.7
147.11676	0.6
149.09563	0.8
149.13306	0.6
153.01688	0.6
155.53300	0.4
161.05862	0.4
163.03853	0.6
165.09077	100.0
166.09416	0.9
167.06882	0.4
169.93427	0.5
176.96362	0.5
179.10635	0.5
181.04948	0.9
188.12067	0.5
191.06944	0.4
205.12187	4.9
227.59659	0.5
301.21329	0.5
383.86978	0.5
425.33942	2.9
443.35025	9.7
624.51733	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46898	0.9
51.19072	0.8
53.03931	2.3
54.03267	0.9
55.01851	1.9
55.05504	14.5
57.03428	12.1
57.07052	1.1
61.02900	1.4
67.05489	47.4
69.03397	1.9
69.07050	14.9
69.50128	1.1
71.01350	1.5
71.04954	1.5
73.06508	1.1
79.05473	58.7
81.03403	9.0
81.07037	32.1
83.04965	16.4
83.08604	4.6
85.02865	1.6
85.06510	2.0
91.05453	42.5
93.07022	57.5
95.04939	13.9
95.08576	19.7
97.02813	1.3
97.06515	9.5
97.10143	5.7
104.12194	1.1
105.07009	28.0
107.04922	5.7
107.08578	23.2
109.06502	5.7
109.10108	5.4
111.08046	2.0
117.06995	6.6
119.08560	18.6
121.06449	4.1
121.10106	6.9
123.08034	2.1
128.54889	1.0
129.06964	9.0
131.08536	1.7
133.06499	1.1
133.10085	8.4
135.08015	1.4
135.11678	23.4
143.08511	5.7
145.10078	10.0
147.11624	17.5
157.10091	1.9
161.09598	2.0
161.13199	4.6
163.11115	4.7
171.11639	12.2
175.10971	1.1
181.12196	2.4
181.15002	1.1
189.12807	4.0
198.11484	1.3
207.13756	7.7
255.15857	22.4
281.17395	20.0
291.43307	1.1
304.20462	1.1
316.14917	1.1
461.28879	100.0
462.29288	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.42
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.2
55.01850	0.3
55.05504	2.6
57.03424	1.4
61.02896	0.2
67.05492	4.8
69.03409	1.3
69.07038	2.0
71.04974	1.1
73.58226	0.2
75.23827	0.2
77.32669	0.1
79.05470	3.1
81.03396	7.8
81.07036	6.2
81.07520	0.2
83.04959	2.3
83.08598	2.2
85.02882	2.3
85.06520	0.7
91.05459	3.1
93.07010	2.8
95.04945	2.5
95.08582	5.2
97.02876	1.2
97.06504	0.7
97.10137	1.0
105.07018	2.8
107.04937	1.1
107.08571	2.5
108.99731	0.2
109.02870	0.4
109.06490	1.0
109.10133	3.9
111.04475	0.5
111.08044	0.8
116.70870	0.2
117.07026	0.3
119.08552	4.0
121.06421	0.7
121.10104	1.8
122.07243	1.3
123.08065	0.3
123.11659	1.7
127.03833	0.2
127.07531	0.4
129.05461	0.2
129.06969	1.2
131.08513	1.4
133.06500	0.2
133.10075	1.0
135.11646	0.4
137.09592	11.9
142.07762	0.2
145.10074	0.4
147.08047	0.3
147.11649	2.2
149.09589	1.4
149.13177	0.3
151.07486	0.3
157.10072	1.0
161.09537	0.2
163.11159	0.3
165.09071	100.0
166.09389	0.7
175.11127	1.7
177.09062	0.3
183.13765	0.4
189.12756	0.3
191.10690	0.2
193.12242	3.0
205.12201	3.6
211.13223	3.2
229.36340	0.2
267.15775	1.3
285.16904	1.5
289.25146	0.8
307.26276	3.5
359.95380	0.2
367.22540	0.2
423.32507	0.6
429.20895	0.7
441.33469	3.9
459.27252	0.7
459.34467	1.2
477.28366	1.2
495.29538	1.6
621.32629	0.3
639.33710	2.2
657.38098	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	658.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16735	0.5
52.27793	0.5
53.00282	0.9
55.05502	2.6
56.37537	0.6
57.07066	12.2
57.68917	0.5
58.06598	2.9
60.04547	0.6
64.33679	0.7
65.70560	0.5
67.05502	3.1
69.07053	2.9
70.06580	25.7
71.08613	3.9
79.03099	0.6
79.05482	2.7
81.03429	0.7
81.07032	5.1
81.52801	0.6
82.07372	0.7
83.08606	1.1
88.07618	24.8
91.05463	2.6
91.58392	0.6
92.08762	0.8
93.07009	4.3
93.29045	0.6
95.04960	2.6
95.08587	3.0
102.09161	18.1
105.07037	3.8
106.07362	0.7
107.08595	2.9
117.06995	1.1
119.08587	3.9
121.10146	1.2
122.95361	0.6
123.11739	0.8
131.04956	0.7
131.08556	1.1
133.10103	2.9
145.10158	0.8
147.11644	1.0
149.02325	59.2
149.09648	0.9
149.13222	0.9
153.91389	0.7
157.09999	1.1
159.11668	1.0
171.11697	0.9
175.03906	1.4
177.05478	0.9
193.04929	72.7
210.68904	0.6
219.06555	1.1
237.07526	18.4
237.09674	1.1
256.26297	45.5
257.26752	0.8
269.04379	1.4
297.04010	3.3
300.28613	0.7
313.06998	3.1
341.06461	13.9
359.07495	7.5
385.09079	22.9
425.34344	1.3
429.11746	30.3
443.35367	4.2
446.30118	0.7
658.35742	100.0
659.35992	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62229	0.1
53.00292	0.1
53.03934	1.2
53.88189	0.1
55.01866	1.1
55.05500	6.3
55.29168	0.1
57.03176	0.2
57.03426	4.1
57.07063	0.3
59.04983	0.2
65.03918	0.6
67.05490	10.2
69.03413	3.5
69.06709	0.2
69.07052	4.2
71.01324	0.2
71.04977	1.7
73.02876	0.2
73.06525	0.1
79.05467	8.0
81.03395	24.0
81.07033	11.4
81.07529	0.3
83.04961	6.3
83.08115	0.2
83.08601	7.3
85.02888	7.5
85.06519	0.8
91.05454	9.5
93.07014	7.0
95.04942	8.1
95.08000	0.3
95.08582	7.1
97.02872	3.3
97.06515	1.7
97.10143	2.1
99.04434	0.9
99.08067	0.4
103.05457	0.2
105.07006	8.9
107.04942	2.8
107.08580	3.7
109.02859	2.4
109.06475	2.1
109.10135	5.5
111.04427	2.2
111.08051	2.7
113.05972	1.0
115.05433	0.6
117.06992	1.0
119.04916	0.3
119.08556	8.1
121.06467	1.0
121.10115	4.1
122.07230	1.0
123.04356	0.2
123.08086	1.1
123.11687	1.8
125.09577	1.1
127.03892	1.2
127.07504	0.7
129.05481	0.3
129.06975	3.5
131.04839	0.2
131.08534	3.9
133.06429	1.2
133.10101	3.9
135.07999	0.6
135.11662	1.1
137.05959	0.3
137.09590	13.0
142.07765	0.9
143.08562	0.4
145.06464	0.7
145.10091	1.8
147.08023	1.0
147.11650	5.3
147.12721	0.3
149.05905	0.2
149.09596	2.6
149.13275	0.7
151.07495	0.4
153.09079	0.2
153.12756	0.2
155.08569	0.2
157.06572	0.2
157.10114	4.6
159.11644	0.7
163.11194	1.1
165.09071	100.0
166.09377	0.3
169.10054	0.2
171.11653	0.2
173.04489	0.2
173.09578	0.2
175.11159	4.3
177.08961	0.2
177.16367	0.2
181.12099	0.5
183.13773	0.6
185.13200	0.2
187.11115	0.3
189.11201	0.3
189.12779	0.3
191.10649	0.8
193.12199	11.0
194.12486	0.2
203.10611	0.2
205.12204	3.3
211.13246	11.8
227.12569	0.2
231.13794	0.2
242.11224	0.2
247.19559	0.2
249.14725	0.2
256.23016	0.2
267.15833	4.9
273.14804	0.3
285.16882	5.0
289.25037	0.8
307.26248	4.1
337.16251	0.2
355.17487	0.7
357.27875	0.2
367.22430	0.6
375.17798	0.2
385.23553	0.6
393.18903	0.3
403.24551	0.2
411.20059	0.7
423.32501	0.7
429.21091	2.3
433.26083	0.2
441.33511	3.4
459.27258	3.5
459.34412	1.6
477.28329	4.8
495.29388	6.2
585.30347	0.3
603.31403	0.6
621.32410	1.7
639.23944	0.3
639.33661	6.1
678.37537	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	657.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.6
55.01870	23.7
55.05505	49.4
57.03216	2.1
57.03428	35.4
57.07063	4.2
65.14240	2.7
66.04345	2.3
67.05493	100.0
69.03415	27.4
69.07061	31.6
71.04972	15.7
73.02895	14.9
79.05479	65.0
81.03407	70.6
81.07038	99.8
82.04196	3.1
83.04962	31.2
83.08593	23.2
85.02901	23.5
85.06492	2.7
89.83354	2.9
91.05468	54.6
93.07021	68.0
95.04943	31.5
95.08586	25.1
97.02853	23.8
97.06487	16.3
97.10152	14.8
99.08071	3.3
105.07030	32.5
107.04929	17.6
107.08591	36.1
108.24937	2.5
109.02841	4.7
109.06476	6.1
109.10146	34.7
111.04414	10.5
111.08076	5.5
116.04697	12.1
117.07015	6.3
119.08586	25.8
121.06491	11.5
121.10121	17.0
123.08086	3.9
123.11695	5.5
125.09615	16.5
127.03957	3.7
129.05482	32.0
129.06998	3.7
131.08510	19.2
133.10100	19.4
135.08020	4.4
135.11661	9.8
137.09511	3.0
143.07005	4.4
145.10068	13.4
147.11694	12.7
149.02341	5.5
149.09618	4.8
149.13226	16.4
157.08580	10.4
157.10101	4.7
159.11699	13.1
163.11128	3.2
165.09044	4.5
171.10168	3.7
173.11708	3.9
175.11130	11.1
193.04996	5.8
193.12207	6.5
195.13795	3.7
199.13333	3.4
205.97780	2.9
211.13307	4.1
227.12703	6.4
269.17441	22.7
301.16489	22.6
323.18314	2.8
413.21649	11.7
423.27237	34.5
477.28101	6.3
485.41281	2.9
495.29269	13.0
559.36053	3.2
639.33417	14.0
688.25586	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	657.1812
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11963	0.6
52.20102	0.6
52.56232	0.6
53.62206	0.6
67.05478	3.2
69.07054	1.7
77.60329	0.8
79.05459	1.0
81.03384	0.9
81.07036	2.9
83.04959	0.8
85.02892	1.0
88.53220	0.7
91.05453	5.1
91.24520	0.7
93.07006	1.6
95.04958	0.9
103.05441	3.4
105.07040	2.5
107.08545	1.0
109.10117	1.3
119.04916	3.5
121.06468	1.1
121.10078	0.9
130.04118	0.9
131.04892	4.2
132.05704	1.8
134.03696	1.0
135.11653	0.9
137.09590	3.9
140.04666	3.5
146.03636	3.1
147.04376	3.4
147.11699	0.9
148.05145	0.9
149.09607	1.0
151.03922	0.8
153.01801	5.1
159.04422	0.8
161.05957	1.2
162.03041	0.8
165.09064	16.8
166.09404	4.6
167.06967	3.3
171.62190	0.7
175.03828	3.8
176.04640	1.8
177.05428	2.8
178.06219	4.6
179.07057	0.9
191.06975	4.5
192.07724	1.2
203.03355	3.8
203.17621	0.8
207.06516	5.7
229.04871	4.3
242.05644	9.9
253.04904	2.8
257.04391	64.5
258.05185	15.9
269.04346	1.7
270.05170	1.2
271.05850	1.0
285.03806	7.4
286.04645	33.0
287.05420	19.6
297.03833	4.5
299.05423	1.1
327.04785	1.6
341.06415	3.5
445.09137	1.3
447.06876	1.1
462.09482	1.6
465.11511	3.4
477.11722	19.3
495.12750	100.0
502.29977	0.9
540.19318	1.0
657.17883	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3635
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01604	0.6
53.00291	0.7
53.03934	1.8
54.51617	0.6
55.01870	5.8
55.05504	34.7
57.03422	4.4
57.43938	0.5
59.04974	0.7
61.02903	3.1
65.03921	0.8
67.05488	26.1
69.03418	6.1
69.07052	9.7
71.04967	1.2
73.02874	1.0
79.05476	28.4
81.03392	2.8
81.07037	24.0
83.04484	0.7
83.04959	4.3
83.08605	17.7
85.02897	3.4
85.06514	0.8
91.03947	1.1
91.05453	25.7
92.09368	2.9
93.07015	14.8
95.04948	7.4
95.08592	10.5
97.02875	1.3
97.06518	2.9
97.10146	33.8
103.05453	10.9
104.88181	0.6
105.03350	0.8
105.07013	22.4
107.04955	6.1
107.08577	14.8
109.02861	1.0
109.06509	4.7
109.10159	6.1
111.04405	0.8
111.08039	1.4
115.05419	5.8
116.06217	1.0
117.06997	36.1
119.04912	1.0
119.08555	12.6
119.39464	0.8
120.36475	0.8
121.06477	4.5
121.10110	3.6
123.08041	1.3
125.09606	23.3
128.06187	4.1
129.06961	16.3
131.04903	1.3
131.08531	30.1
132.22516	0.8
133.06476	6.3
133.10077	6.8
135.08043	6.7
135.11610	1.2
141.06972	8.3
142.07750	1.6
143.04886	0.8
143.08527	8.4
145.06468	9.9
145.10077	11.4
147.08011	4.2
147.11687	0.9
149.09596	3.1
153.06926	1.2
153.09079	1.0
154.07704	0.8
155.08530	12.0
157.06499	4.4
157.10124	4.5
159.08028	4.5
159.11674	3.7
167.08560	4.3
168.09319	1.0
169.10040	6.9
171.07971	1.7
171.11674	4.7
173.09596	2.7
173.13200	1.4
181.10104	3.1
183.07974	1.4
185.09622	1.2
185.13182	1.8
187.14798	8.5
189.11203	10.1
193.10094	1.5
195.11656	3.2
197.09538	1.8
197.13214	11.1
199.11166	1.5
203.30432	0.9
209.13242	1.7
211.14961	1.1
213.12741	3.7
215.14272	25.4
221.13242	1.2
223.11110	0.9
223.15005	0.9
225.12756	0.8
227.12694	15.2
227.14525	1.1
233.13252	0.9
233.15338	1.0
241.12231	1.0
241.15706	0.9
245.13931	0.9
257.15240	0.8
267.22284	0.9
269.15524	0.8
271.16934	1.4
305.34369	0.8
339.23114	1.5
349.21640	4.6
367.22720	9.8
385.23630	6.5
386.31720	0.8
403.24460	3.4
441.26245	41.1
442.26700	1.2
459.27319	100.0
460.27222	3.1
477.28372	10.3
518.39514	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.3846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	3.0
55.01878	2.9
55.05508	2.9
56.05011	4.5
57.03429	4.4
60.04513	100.0
61.02906	12.8
67.05478	14.9
69.03419	25.9
69.07050	9.8
71.04993	2.4
73.02879	2.3
74.06055	2.8
79.05468	10.2
80.33929	2.6
81.03395	14.9
81.07040	15.0
82.06564	3.0
85.02890	87.6
85.54124	2.6
91.05447	9.7
93.07002	5.2
95.08601	8.8
97.02869	24.7
104.07114	3.0
105.07035	4.1
107.08606	3.3
108.33444	2.4
109.02850	13.9
109.10142	3.4
114.36724	2.1
119.08588	2.7
121.10106	5.2
127.03902	12.7
135.92630	2.5
140.54317	2.3
145.04958	4.8
165.09059	6.1
177.05547	3.0
188.09087	2.6
188.88969	2.7
257.04388	16.9
258.05292	3.2
268.63440	2.5
278.24652	4.6
286.04758	9.8
287.05533	10.4
291.20120	2.5
296.25827	10.1
314.26785	13.6
332.27856	69.4
337.60147	2.4
477.11807	3.9
494.33249	23.1
495.12674	23.1
656.38367	76.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	656.509
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48641	2.0
53.00306	3.7
53.03926	3.4
55.01865	11.2
55.05502	55.6
55.19078	1.8
57.03418	18.8
57.07068	46.0
63.10865	2.3
67.05147	3.7
67.05487	49.7
69.03392	2.8
69.07050	35.7
69.47581	2.8
69.89940	2.3
71.04970	3.1
71.08601	34.2
75.43336	2.2
79.05467	41.4
80.38737	2.8
81.03407	13.9
81.07034	100.0
83.04967	24.4
83.08597	32.9
83.08944	2.0
83.94167	2.5
85.06568	2.5
85.10194	14.0
91.05453	35.3
93.07024	35.4
95.04948	22.6
95.08588	49.6
97.06509	10.4
97.10147	34.2
105.07014	33.0
107.04938	14.7
107.08567	27.7
109.06513	5.2
109.10130	26.9
111.04430	21.0
111.08083	13.7
117.06972	20.7
118.38644	2.5
119.08537	31.6
121.06509	5.3
121.10136	14.0
123.08031	28.1
125.09601	25.3
129.06949	5.8
131.08571	16.2
133.10114	6.4
135.08032	5.9
135.11642	6.2
137.09579	5.1
143.08560	5.2
145.10143	16.0
147.08067	9.4
147.11717	3.6
149.09561	6.0
153.12737	6.0
157.10101	5.6
159.11699	5.0
161.09578	5.4
162.25508	2.6
163.11116	18.0
171.11572	3.1
173.09671	4.1
181.12112	4.0
188.32642	2.9
189.11250	20.7
191.10686	5.4
193.12274	3.0
221.53767	2.4
223.13202	3.9
227.12691	17.8
255.17508	3.7
273.18439	31.8
276.71591	2.6
288.60123	2.9
291.19470	64.5
309.20532	5.1
313.27316	73.3
365.23145	33.4
368.75339	2.8
383.24164	16.0
437.57132	3.1
442.74564	2.7
563.65015	2.9
603.46185	35.4
621.47241	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	655.3318
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18446	1.5
53.03933	13.7
55.01858	15.2
55.05501	37.9
56.05827	1.7
57.03427	24.6
57.07058	3.0
59.04988	2.4
59.39323	1.7
60.13827	1.4
64.51221	1.7
67.05140	3.1
67.05486	63.1
69.03408	29.5
69.07052	15.8
71.04971	9.6
73.02889	3.4
76.56268	2.2
79.05473	51.5
81.03391	100.0
81.06592	2.9
81.07029	44.6
83.01324	1.7
83.04967	29.0
83.08611	22.4
85.02888	23.3
85.06553	2.5
86.09693	2.6
91.05457	54.3
91.47025	1.4
92.64038	2.1
93.07017	40.9
95.04945	40.4
95.08588	22.2
97.02855	28.5
97.06500	9.0
97.10152	14.9
99.04423	10.2
99.08098	1.6
103.05505	1.7
105.07012	38.6
107.04938	24.1
107.08559	26.3
109.02834	17.3
109.06496	8.9
109.10132	29.0
111.04404	13.0
111.07405	1.9
111.08052	13.0
113.06000	1.8
117.06991	12.9
119.08556	31.3
119.65700	1.6
121.02862	2.0
121.06474	7.8
121.10135	17.4
123.04390	3.9
123.08053	7.3
125.09583	12.9
127.03905	8.3
128.06233	1.9
129.05444	2.9
129.06955	18.1
131.08531	20.1
133.06500	4.2
133.10077	16.2
135.04439	2.6
135.08018	2.6
135.11688	6.9
137.09564	2.9
140.18416	1.8
142.07791	1.9
143.08553	3.2
145.06448	2.5
145.10110	9.5
147.08046	8.1
147.11673	16.4
148.65558	2.1
149.09613	8.8
150.76711	1.8
153.12730	4.0
155.08519	1.6
157.10086	16.1
159.11674	2.4
163.11176	11.5
164.11922	1.7
165.09056	15.0
165.12758	3.0
173.04375	3.1
173.09669	2.7
173.11728	4.0
175.11093	11.9
181.12143	2.7
183.06436	1.9
184.07329	6.8
187.11188	2.0
189.11191	2.4
191.10608	6.4
193.12192	27.9
195.11726	1.7
197.09424	1.6
201.12880	1.8
209.11674	8.5
211.13222	24.0
227.12738	8.5
229.14330	8.9
247.13223	3.0
267.15924	19.2
283.15381	4.2
285.16727	3.2
324.12277	1.9
337.16406	2.2
377.41803	2.0
383.21848	2.3
409.25467	1.8
421.25784	7.7
439.26709	10.3
475.26617	14.2
493.27985	13.9
637.31842	12.3
655.32770	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	655.3893
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	10.5
57.06781	2.3
57.07061	68.1
61.02912	25.3
67.05488	17.7
69.07042	11.6
71.08614	48.8
71.38309	2.3
73.02898	15.2
79.05474	3.7
81.07027	28.5
81.58990	2.1
82.75379	2.2
83.08592	14.1
85.02879	23.9
85.10161	24.6
85.25625	2.8
89.05990	3.7
91.03920	21.7
91.05458	4.4
92.08625	4.7
93.07050	3.4
95.08583	40.3
97.02859	12.2
97.10152	12.5
102.32644	2.6
105.07008	13.5
107.08537	4.8
109.10125	15.4
109.10820	2.5
119.08580	3.1
121.10133	3.0
123.11695	4.2
127.03879	3.7
143.08556	3.8
163.06038	4.2
169.10036	2.6
173.97398	2.1
239.23599	19.1
257.24802	4.5
313.27271	100.0
331.28214	20.3
547.83209	2.4
552.20135	2.6
555.45172	2.2
655.27008	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3321
Annotation	Sordarin-1-glucose ester
Peak:m/z	Relative Intensity
53.03936	9.0
54.61203	1.0
55.01675	0.8
55.01869	13.3
55.05505	36.3
57.01631	1.0
57.03429	22.4
57.07049	2.0
59.04971	3.9
61.02909	0.9
65.03914	1.2
67.05491	34.9
69.03415	19.3
69.07047	11.0
71.01347	2.1
71.04990	9.7
72.77589	0.9
73.02911	1.4
79.05471	42.8
81.03398	100.0
81.07034	46.1
83.01324	9.4
83.04965	35.0
83.08599	28.3
85.02889	26.9
85.06539	2.7
86.52094	0.9
90.85612	0.9
91.05462	39.8
91.59592	1.0
92.09386	4.4
93.06415	1.6
93.07016	38.5
95.04937	30.6
95.08584	19.6
97.02867	17.6
97.06481	7.7
97.10134	7.0
99.04445	5.6
99.08102	2.1
103.05438	1.1
105.07003	30.2
107.04934	14.9
107.08573	22.9
109.02856	13.0
109.06514	10.8
109.10164	10.4
111.04420	14.3
111.08053	10.3
113.06033	1.8
115.05417	1.9
117.06988	13.4
119.08559	28.1
121.06468	4.7
121.10106	14.9
123.04433	1.4
123.08044	8.5
125.05970	1.6
125.09610	6.8
127.03896	10.9
128.06210	1.1
129.05438	4.2
129.06944	11.2
130.07838	1.5
131.08562	14.7
133.06445	2.1
133.10074	12.2
135.08035	2.7
135.11693	12.7
137.09579	5.3
142.07759	2.4
143.08565	1.6
145.06467	4.2
145.10088	16.0
147.08018	6.5
147.11653	14.8
149.09612	6.7
153.12752	8.7
155.08528	1.5
157.10078	14.3
159.11746	1.5
161.09578	1.1
163.11168	23.7
165.09090	6.5
165.12671	1.7
173.09589	4.6
175.11082	11.6
181.12149	8.2
189.11118	2.3
191.10646	5.0
193.12202	34.2
209.11697	5.4
211.13269	36.6
220.50000	1.2
227.12756	7.9
229.14215	2.1
267.15894	9.5
283.15372	29.4
285.16898	6.1
335.28824	1.1
353.15518	1.6
355.17310	2.4
383.21918	1.9
429.20959	11.3
457.25824	2.3
475.26889	18.0
493.20432	2.3
493.27847	68.7
494.28040	1.5
619.30389	4.4
637.22046	1.9
637.32031	38.7
655.32898	5.9
673.55286	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	655.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50304	0.5
52.44247	0.5
52.52123	0.5
53.00292	1.6
53.03926	7.7
53.40786	0.5
54.81258	0.8
55.01860	16.1
55.05500	36.4
56.45851	0.5
57.03425	24.5
57.07053	4.2
58.01257	0.6
59.04981	1.5
61.02903	1.3
65.03917	3.2
67.05485	66.5
69.03409	34.0
69.07043	10.8
69.71906	0.8
71.01326	1.5
71.04965	10.4
71.34515	0.6
73.02897	5.6
77.71498	0.7
79.04991	1.3
79.05468	51.1
81.03391	100.0
81.07032	40.9
81.07522	0.7
82.04179	0.8
83.01299	1.1
83.04468	1.0
83.04958	27.1
83.08598	20.4
84.33967	0.6
85.02886	27.3
85.06522	4.2
91.04882	1.7
91.05453	49.3
93.07018	31.9
93.07481	0.6
93.07623	0.7
95.04939	39.1
95.08572	15.8
96.56113	0.6
97.02254	1.3
97.02864	26.7
97.03491	1.1
97.06493	6.3
97.08493	0.6
97.10140	13.4
99.04421	4.8
99.08073	1.8
103.05411	0.7
105.06287	1.2
105.06994	29.7
107.04922	21.3
107.08569	20.4
109.02862	14.4
109.06501	8.8
109.10133	28.6
110.10411	1.0
111.04429	12.4
111.08054	8.0
113.05946	1.1
115.03838	1.3
115.05420	2.9
117.06999	10.0
119.04885	1.0
119.08546	22.0
121.02798	2.6
121.06495	8.1
121.10118	12.2
123.04415	5.5
123.08017	5.3
123.11700	1.1
125.05959	2.9
125.09587	11.5
127.03872	8.0
128.06186	1.2
129.05479	2.6
129.06961	14.1
130.07722	0.8
131.03438	0.8
131.04922	0.8
131.08533	17.9
133.06471	5.7
133.10109	9.9
135.04381	3.8
135.08035	4.9
135.11674	6.9
136.78151	0.8
137.05940	1.3
137.09601	4.5
141.06950	1.4
142.07784	3.6
143.03275	0.8
143.08536	3.0
145.06491	4.5
145.10088	9.7
147.04356	1.0
147.08005	5.3
147.11650	13.8
149.05943	1.0
149.09589	7.7
151.03903	1.0
153.05461	1.4
153.12689	3.6
155.08539	2.9
157.10103	10.5
159.07935	1.0
159.11665	1.5
161.05885	1.2
163.07486	1.0
163.11143	8.5
165.09059	1.7
165.12730	2.9
167.08354	0.9
171.06473	0.7
171.11592	1.5
173.04494	5.0
173.05804	0.9
173.09647	3.5
173.11665	5.3
175.11143	11.3
181.12218	3.3
183.06470	3.2
183.41248	0.8
185.13228	1.2
187.11163	1.2
189.11214	4.1
191.10661	2.9
193.12195	22.4
199.05957	3.3
209.11684	9.8
211.05508	0.8
211.13203	23.2
211.15045	1.3
217.06888	0.8
219.13704	1.3
227.12706	9.4
229.14255	11.9
231.13684	0.8
235.13286	0.8
247.13275	3.8
255.15935	1.2
265.14172	0.9
267.15823	12.3
283.15350	4.9
285.16840	5.7
289.14163	1.6
301.16556	1.0
307.15503	1.0
321.16711	1.0
337.16470	0.9
365.21201	0.7
366.03979	0.8
409.25897	1.1
421.25668	11.0
427.19565	1.6
429.20599	1.2
439.26703	12.9
440.26855	1.1
457.25323	1.7
475.26627	9.9
493.27859	9.4
495.29843	0.8
619.30585	1.5
637.32043	8.2
638.31848	0.9
655.32764	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	654.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17139	3.9
53.03928	5.5
55.05504	9.7
57.07065	5.3
67.05495	18.7
69.03405	29.5
69.07059	9.4
71.04972	4.7
79.05462	7.8
79.19197	4.0
81.03400	10.4
81.07034	33.1
83.04965	24.3
83.08589	11.3
85.02898	57.8
85.03838	4.3
87.00816	21.7
91.05469	8.5
93.07025	28.7
95.04933	76.9
95.08592	22.9
95.21090	4.6
97.02876	30.4
97.06493	10.1
99.04431	22.1
105.01859	21.1
105.07027	42.6
107.08585	56.8
109.02891	20.8
109.06488	37.3
109.10143	53.2
111.08007	6.9
119.08540	24.6
121.10117	40.0
123.08076	10.6
123.11698	18.8
125.09635	7.2
127.03896	34.7
131.08514	24.4
133.10092	100.0
135.08023	6.8
135.11673	20.5
137.05946	6.2
143.08591	6.2
145.04968	8.2
145.10118	9.4
147.04369	5.2
147.11690	10.8
149.13251	27.1
151.03839	5.5
151.11115	5.9
153.09093	28.0
157.58737	4.9
158.10909	9.8
163.14769	6.5
173.13211	53.3
175.14819	19.4
179.03352	22.2
182.44351	4.7
184.32457	4.3
191.14252	51.5
206.47214	4.5
209.15344	78.1
227.16402	36.1
231.04973	5.4
340.64236	5.4
460.95004	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	655.1862
Annotation	Syringetin 3-rutinoside
Peak:m/z	Relative Intensity
50.22950	0.1
53.03928	0.2
55.01862	0.2
55.05500	0.2
57.03169	0.2
57.03424	3.1
59.04996	0.1
61.02905	0.8
68.99780	0.2
69.03413	1.9
71.04971	12.9
73.02899	0.7
75.04454	0.6
79.05440	0.2
81.03384	0.8
83.04961	0.8
85.02885	16.9
87.04434	0.2
93.03378	0.2
97.02880	1.6
99.04423	0.2
105.03403	0.2
107.04940	0.3
107.20135	0.1
109.02844	0.7
111.00771	0.3
111.04414	1.0
113.43335	0.1
116.66666	0.1
119.04901	0.2
121.02822	1.1
123.04382	0.3
126.03094	0.2
126.82064	0.1
127.03886	1.1
129.05446	1.7
133.02782	0.3
135.04385	0.2
137.02303	1.2
139.03873	4.7
147.04391	0.2
147.06464	0.3
150.03079	0.8
151.03891	0.2
153.01794	7.5
153.03000	0.3
153.05431	5.9
154.06213	0.8
162.03172	0.2
163.03833	0.2
165.01794	2.6
167.07037	0.2
178.02650	0.3
181.04916	1.7
183.02873	0.6
185.05899	0.2
193.04944	0.2
194.02048	0.2
203.03459	0.2
203.07072	0.2
207.02861	0.2
207.06451	1.3
213.05415	0.7
214.31102	0.2
216.04201	0.7
217.05014	0.3
229.04863	1.1
230.05708	0.9
231.06526	1.0
233.04285	0.2
241.04828	0.9
243.02849	0.7
244.03630	1.3
245.04269	0.2
255.02725	0.8
257.04486	1.2
258.05164	6.5
259.05966	2.7
269.04398	1.7
272.03040	0.8
273.03802	0.3
283.02344	0.9
284.03036	0.7
285.03815	1.8
286.01703	0.3
286.04669	5.7
287.05420	9.9
288.05850	0.2
289.03256	1.1
291.08536	2.6
300.02631	0.6
302.04041	0.4
303.04916	2.7
313.03156	0.5
314.04077	1.5
315.04892	3.2
317.02759	0.3
318.07410	0.6
331.04404	6.0
332.05188	2.7
347.07523	100.0
348.08008	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	654.2963
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17139	3.9
53.03928	5.5
55.05504	9.7
57.07065	5.3
67.05495	18.7
69.03405	29.5
69.07059	9.4
71.04972	4.7
79.05462	7.8
79.19197	4.0
81.03400	10.4
81.07034	33.1
83.04965	24.3
83.08589	11.3
85.02898	57.8
85.03838	4.3
87.00816	21.7
91.05469	8.5
93.07025	28.7
95.04933	76.9
95.08592	22.9
95.21090	4.6
97.02876	30.4
97.06493	10.1
99.04431	22.1
105.01859	21.1
105.07027	42.6
107.08585	56.8
109.02891	20.8
109.06488	37.3
109.10143	53.2
111.08007	6.9
119.08540	24.6
121.10117	40.0
123.08076	10.6
123.11698	18.8
125.09635	7.2
127.03896	34.7
131.08514	24.4
133.10092	100.0
135.08023	6.8
135.11673	20.5
137.05946	6.2
143.08591	6.2
145.04968	8.2
145.10118	9.4
147.04369	5.2
147.11690	10.8
149.13251	27.1
151.03839	5.5
151.11115	5.9
153.09093	28.0
157.58737	4.9
158.10909	9.8
163.14769	6.5
173.13211	53.3
175.14819	19.4
179.03352	22.2
182.44351	4.7
184.32457	4.3
191.14252	51.5
206.47214	4.5
209.15344	78.1
227.16402	36.1
231.04973	5.4
340.64236	5.4
460.95004	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	653.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17442	2.4
53.03937	14.1
53.05764	2.3
55.01873	28.8
55.05296	2.9
55.05510	43.0
57.03435	23.5
57.07059	2.8
59.04971	3.7
67.05499	83.1
69.03420	38.9
69.07047	19.9
71.01325	3.9
71.04975	15.1
73.02910	4.3
79.05480	70.7
81.03403	100.0
81.07047	53.2
83.01344	6.1
83.04968	35.8
83.08595	22.6
85.02903	23.3
91.05469	58.1
93.07027	58.5
95.04943	41.9
95.08586	20.8
97.02888	34.0
97.06497	14.5
97.10150	17.2
99.04412	7.8
105.07017	32.3
107.04950	30.0
107.08598	37.2
109.02881	25.3
109.06491	12.8
109.10141	35.4
111.04422	12.9
111.08059	4.6
117.07011	16.7
119.08581	25.8
121.06477	7.6
121.10124	6.6
123.04388	12.6
123.08055	7.2
125.09597	7.0
127.03931	13.3
129.06999	14.1
130.07803	3.4
131.08556	7.5
133.10074	14.6
135.04372	4.3
135.08064	4.0
135.11642	18.3
143.08636	3.1
145.06419	3.4
145.10132	25.0
147.11671	5.3
149.09589	6.8
153.09195	3.4
153.12708	6.1
157.10100	3.9
163.11127	32.2
165.09123	3.1
173.04482	4.4
175.11205	4.8
181.12143	5.8
189.12663	3.9
191.10672	6.4
196.63576	3.3
209.11736	13.9
227.12743	14.9
229.14330	12.3
267.15808	5.0
283.15341	25.6
325.81406	3.5
353.16043	5.2
437.25211	24.4
491.26331	7.2
511.97330	3.2
563.81354	3.6
635.30444	5.9
653.31219	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	653.3527
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	17.8
54.21141	2.5
55.01852	7.0
55.05295	2.4
55.05502	37.8
55.26194	2.7
57.03419	25.8
57.90604	2.5
62.97924	2.8
65.78487	2.5
66.33910	2.4
67.05486	80.6
67.96880	2.5
69.03405	24.3
69.07043	15.5
71.04965	12.6
79.05469	89.9
81.03395	91.3
81.07034	79.6
83.04980	31.7
83.08595	28.0
85.02891	23.5
85.06496	4.7
86.33499	2.4
91.05453	100.0
93.07020	75.4
95.04938	53.3
95.08592	35.9
97.02858	16.4
97.06493	6.4
98.17430	3.1
99.04349	3.3
105.07005	72.9
107.04925	22.1
107.08579	27.8
107.79980	2.9
109.02872	10.5
109.06500	15.1
109.10122	18.5
111.04437	6.1
111.08060	11.3
115.05431	5.8
117.07009	13.5
117.75108	2.7
119.08567	45.9
121.06461	5.5
121.10100	14.3
123.08008	7.1
127.03926	4.5
129.05481	3.7
129.06982	37.8
131.08540	28.6
133.06432	3.7
133.10083	27.7
137.09525	3.1
141.06985	3.8
143.08514	18.5
145.10100	19.6
147.08047	10.9
147.11624	42.5
149.09578	6.7
154.30629	3.2
157.10123	18.5
159.11603	4.5
161.09573	4.3
161.13206	11.3
171.11609	19.4
173.11707	3.1
175.11096	7.0
175.98430	3.1
189.12695	3.9
189.90474	3.1
193.12173	23.2
207.13753	7.0
211.13190	25.8
267.15863	20.2
281.17383	51.2
285.16898	6.5
287.16388	4.2
355.11990	3.0
429.20831	4.5
473.28787	49.7
491.30206	21.9
635.34198	25.8
653.31116	5.4
653.42755	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	652.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06909	0.6
55.01870	10.9
55.05268	1.0
55.05507	18.9
55.15856	0.5
55.46901	0.6
57.03427	22.5
57.07053	2.7
59.04976	4.2
61.02917	7.7
63.69946	0.6
65.03917	1.1
67.05490	100.0
69.03416	7.4
69.03737	1.0
69.07029	6.2
71.01331	0.8
71.04978	4.3
73.02905	7.5
74.26236	0.6
79.05474	15.9
81.03399	11.1
81.07035	25.0
82.04174	3.0
83.04973	9.7
83.08603	11.8
84.02093	1.0
85.02883	8.4
85.06515	3.6
91.03924	2.8
91.05460	14.7
93.07024	13.0
95.04946	13.7
95.08585	10.0
97.02872	7.4
97.06498	6.5
97.10155	8.6
98.07284	4.2
99.04427	0.8
101.06006	0.9
103.05420	0.6
105.06985	5.6
107.04929	3.3
107.08578	10.4
109.02851	0.8
109.06493	1.2
109.10142	92.6
111.08067	6.8
116.04691	12.1
117.06989	1.6
119.08550	11.0
121.06515	1.1
121.10134	1.7
123.04380	0.7
123.08022	3.4
125.09607	10.0
127.11156	3.1
129.05449	24.7
129.06982	3.9
131.08543	1.4
133.10133	2.9
135.08038	1.2
135.11684	3.4
137.09587	5.0
143.07025	4.1
145.10085	1.6
147.07950	1.1
147.11655	4.7
149.09575	0.8
153.09073	1.0
155.10635	6.1
157.08578	10.4
157.09969	1.8
158.05731	1.3
163.11143	3.2
165.12700	0.9
171.06473	2.7
171.10139	4.0
173.11687	25.9
175.11073	1.0
181.12206	1.2
185.08133	1.4
189.11160	6.2
191.10646	0.8
193.12209	3.2
199.09543	1.4
199.13271	7.4
200.14030	1.5
209.11676	2.9
210.12328	0.9
227.12743	7.2
229.14311	58.2
230.14702	0.8
255.15894	3.7
267.15924	5.7
283.15332	8.5
283.18787	2.5
284.16183	0.8
301.16400	35.6
311.18335	1.0
325.19833	0.8
353.23132	1.5
371.24374	6.8
383.24213	11.6
421.25818	3.9
432.33920	0.7
437.25461	5.1
438.26224	5.1
455.26251	49.1
461.28702	1.3
543.66187	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01867	5.8
55.05506	23.3
57.03424	19.0
57.07058	1.5
59.04995	3.3
61.02910	7.4
67.05492	100.0
69.03407	13.5
69.07049	7.8
71.04977	6.9
73.02897	5.8
74.52273	1.3
79.05474	17.3
79.41690	1.3
81.03394	8.1
81.07042	29.0
83.04960	7.4
83.08594	14.3
85.02885	12.0
85.06522	2.5
86.57051	1.3
91.03940	1.8
91.05465	12.4
93.06995	11.0
95.04943	7.7
95.08575	11.0
97.02865	9.0
97.06486	2.4
97.10114	10.1
98.07330	1.4
99.04444	1.5
105.07023	11.8
107.04935	2.4
107.08556	10.7
109.02876	1.8
109.06484	2.1
109.10141	73.7
111.04437	2.6
111.08041	5.4
116.04670	1.7
117.06953	2.6
119.08586	10.3
121.10100	3.0
125.09577	6.7
127.03937	3.0
129.04640	1.3
129.05475	12.6
129.06953	1.6
131.08527	6.3
133.04965	1.4
133.10088	1.8
135.11676	2.5
137.09592	3.0
145.10072	3.1
147.11641	1.9
157.08621	2.9
161.09515	1.4
163.11116	3.3
173.11731	18.4
189.11224	2.5
193.12256	1.5
199.13261	7.1
209.11697	1.9
229.14296	33.9
283.15359	8.1
283.18787	1.6
301.16379	12.7
334.90500	1.8
338.96405	1.8
353.23303	2.6
371.24118	10.9
373.18546	2.0
373.73816	1.5
383.24234	15.5
437.25238	6.7
455.26337	21.1
599.29749	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	651.3352
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15906	0.9
54.22486	0.8
57.03426	2.2
61.02920	4.9
63.30361	1.0
67.05487	6.7
69.03399	1.6
69.07062	1.5
73.02910	1.5
79.05486	2.5
81.03399	1.4
81.07043	6.9
83.04958	1.1
85.02900	4.6
91.03949	1.7
91.05457	4.1
92.09317	3.3
93.07019	7.7
95.04955	1.2
95.08557	1.3
97.02856	2.3
101.02374	1.4
105.07027	1.1
107.08601	4.0
107.16649	1.1
108.42744	1.0
108.43623	1.0
121.10186	1.2
123.91743	1.2
127.03970	1.6
135.11707	2.1
149.13248	1.8
150.43370	1.1
235.13026	1.7
243.08437	1.2
282.26080	1.1
315.73874	1.0
439.19183	9.4
445.26474	1.0
447.06497	1.5
453.21002	7.8
587.31915	1.5
651.33405	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	652.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86819	1.2
53.03927	2.5
55.01863	9.0
55.05503	57.4
56.02097	1.2
57.03428	18.9
59.04978	1.4
59.72186	1.2
61.02908	10.6
67.05495	39.0
69.03419	10.6
69.07043	14.1
71.04968	6.4
73.02904	1.9
78.67030	1.8
79.05048	2.3
79.05473	36.1
80.23261	1.3
81.03400	63.1
81.07038	35.9
83.04962	24.8
83.08599	52.9
85.02894	30.2
85.06538	3.1
91.05462	34.6
93.07030	25.3
95.04942	26.3
95.08556	11.0
97.02877	5.6
97.06499	3.4
97.10148	80.8
103.24730	1.4
105.07011	23.7
107.04945	9.3
107.08576	32.5
109.06519	7.2
109.10132	12.1
111.04398	1.5
111.08025	11.1
117.06976	2.4
119.08559	19.3
121.06525	1.8
121.10136	9.2
123.08052	2.6
125.09611	72.2
129.06966	11.1
131.08565	11.7
133.06485	1.6
133.10091	14.1
135.08023	6.9
142.07803	2.1
143.10686	3.7
147.08089	2.2
147.11658	17.9
149.09579	7.2
153.09119	6.7
157.10132	12.3
165.12808	2.0
166.73730	1.6
171.10162	1.8
175.11145	13.9
189.11179	41.1
189.12732	2.2
193.12212	43.8
211.13249	48.3
227.12749	68.8
233.98746	1.7
245.13795	55.2
250.73750	1.9
267.15756	15.3
285.16934	32.9
291.96158	1.6
419.24194	3.2
437.25290	22.7
455.26349	100.0
511.28839	14.1
610.87872	1.7
634.29456	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.5039
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43036	7.9
54.07799	8.3
54.82079	10.0
55.05486	40.3
57.03403	11.1
64.19412	8.3
67.05493	90.1
69.07039	24.6
79.05466	75.8
81.07030	100.0
81.70074	9.9
87.67995	10.8
91.05457	86.7
93.07018	88.6
95.04923	10.4
95.08588	91.5
105.07017	79.3
107.08553	73.9
114.38593	10.2
117.06994	14.3
119.08569	41.6
121.10107	41.1
131.08563	23.1
133.10094	42.5
135.11635	16.0
145.10117	37.2
147.11687	13.6
159.11626	15.0
195.92976	10.7
259.20438	13.1
333.24042	12.1
335.25632	40.9
354.09586	10.8
611.46271	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	647.2153
Annotation	Unknow
Peak:m/z	Relative Intensity
61.34227	0.3
75.20161	0.3
81.51269	0.3
92.63416	0.4
98.97581	0.3
131.07022	0.3
147.04407	0.4
185.04210	0.7
190.48183	0.3
192.03844	3.7
193.04680	1.4
214.08551	0.5
275.74896	0.3
296.43881	0.4
305.74588	0.3
315.10425	100.0
316.10693	1.4
324.08173	0.7
355.09915	19.6
533.14221	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	650.4386
Annotation	Unknow
Peak:m/z	Relative Intensity
55.31865	0.3
56.05034	0.3
57.07063	0.4
60.08152	9.2
62.49681	0.2
65.97155	0.2
67.05480	1.9
69.07036	0.4
71.07353	3.5
75.11302	0.3
75.78464	0.3
79.05457	0.3
81.07033	1.6
86.09688	44.9
93.07021	0.6
95.08562	0.5
98.98453	3.3
104.10725	2.7
105.06994	0.4
109.10142	0.5
119.08554	0.4
123.11571	0.3
124.99982	32.4
133.10065	0.3
173.69402	0.3
184.07304	100.0
185.07568	0.3
226.70834	0.3
313.27097	0.4
509.38242	1.2
636.64374	0.4
649.47192	0.5
650.43481	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	651.3351
Annotation	Strychnogucine C
Peak:m/z	Relative Intensity
51.79523	0.8
55.05508	1.7
61.02909	6.7
67.05492	6.7
69.03429	2.0
69.05826	0.9
69.07047	2.1
69.35941	1.1
73.02901	4.9
79.05466	4.9
81.03423	2.1
81.07034	5.2
85.02890	5.7
88.36742	1.1
91.03943	1.8
91.05484	2.5
93.06989	7.9
95.04937	1.4
95.08612	1.6
97.02881	5.0
107.08602	4.4
109.10181	1.5
119.08591	1.8
135.11678	2.5
216.10071	1.1
262.80978	1.0
439.19217	10.3
453.21204	8.3
651.33356	100.0
652.33148	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.407
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.8
53.03940	1.6
55.05506	6.9
57.03433	1.1
57.07067	20.9
59.00454	0.7
64.33120	0.8
67.05487	12.5
69.03392	1.1
69.07050	5.7
71.08614	15.1
79.05464	6.7
81.03399	46.6
81.07029	13.8
83.04956	1.7
83.08589	11.4
85.10162	8.1
89.06025	1.2
91.05450	8.6
92.63965	1.0
93.07016	6.9
95.04950	8.7
95.08585	11.9
97.06495	0.8
97.10144	3.3
97.46001	0.8
98.32436	0.9
103.55604	1.0
105.07024	13.9
106.07375	1.6
107.04942	3.8
107.08588	1.6
109.06491	1.8
109.10117	6.6
111.08099	1.4
119.08527	6.6
121.06480	1.8
121.10110	1.3
122.06852	0.8
123.11758	1.0
127.73044	0.9
129.06990	6.8
131.08548	3.4
133.06432	1.4
133.10106	1.8
142.07777	0.9
147.07985	1.5
147.11662	3.8
149.09636	1.3
157.10135	5.6
164.66917	0.8
175.11159	4.4
193.12190	4.6
236.16510	6.8
249.14886	1.8
282.27942	1.4
505.38745	100.0
506.39017	1.2
512.92871	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.4588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.27500	0.6
53.43760	0.6
53.53634	0.6
54.81785	0.6
55.05522	0.7
60.18696	0.7
75.04462	100.0
79.05490	1.0
81.07038	1.0
91.05459	1.3
93.07032	1.5
96.18430	0.7
105.07004	1.6
107.08614	1.2
119.08502	1.0
135.08086	1.2
145.10066	1.6
150.56328	0.8
203.18855	0.9
407.44363	0.9
573.53760	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3796
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.3
55.01854	2.0
55.05502	13.7
56.22301	0.7
57.03428	13.7
57.07050	1.8
61.02904	3.8
67.05491	40.2
69.03419	1.1
69.07050	13.1
71.01337	1.1
71.04963	3.9
73.02897	0.9
77.58680	0.7
79.05472	38.3
80.62660	0.7
81.03384	5.0
81.07035	38.7
83.04956	7.5
83.08598	9.1
83.79001	0.8
85.02885	1.9
85.06522	1.7
91.03908	0.9
91.05461	18.9
93.07018	43.6
95.04937	5.5
95.08577	8.8
97.02843	1.6
97.06525	9.6
97.10154	6.2
99.08047	1.0
105.07011	7.8
107.04961	1.2
107.08575	29.8
109.06458	1.2
109.10136	4.4
111.08038	3.2
111.94356	0.7
117.06959	8.0
119.08551	4.5
121.06464	2.8
121.10117	8.9
123.11673	1.3
124.67596	0.9
131.08546	4.2
133.10103	7.0
135.08095	1.2
135.11662	25.1
145.10107	4.7
149.02339	1.7
149.13208	8.6
159.11652	4.7
163.11162	3.4
177.12755	1.4
181.12178	3.2
193.04984	1.7
195.13777	5.7
255.15826	18.1
269.17474	13.5
449.28891	100.0
450.28937	1.8
560.56628	0.9
593.34052	0.9
656.89612	0.9
674.94543	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.4002
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47182	2.9
53.03934	5.9
55.01858	25.5
55.05504	62.7
57.03434	34.3
57.07070	6.8
65.03932	3.8
67.05492	99.2
69.03429	11.1
69.07046	30.2
71.04967	5.0
79.05472	79.5
81.03398	56.7
81.07036	100.0
83.04965	37.8
83.08607	37.4
85.02414	2.8
85.02888	19.7
85.06535	5.0
91.05459	72.7
93.07022	65.8
95.04941	44.8
95.08585	25.0
97.02882	6.8
97.06513	17.8
97.10156	31.8
105.07020	66.1
106.05819	3.1
107.04955	23.1
107.08569	42.4
109.06493	27.6
109.10136	27.0
111.04445	6.9
111.08081	17.3
116.04671	5.4
117.07014	25.5
119.04873	3.3
119.08571	46.4
121.06467	14.2
121.10130	25.2
123.04354	3.6
123.08041	26.2
123.11756	3.4
125.09614	21.3
128.06183	5.2
129.05470	24.3
129.06990	19.8
131.08508	25.8
133.06429	4.4
133.10118	36.9
135.08043	6.4
135.11670	13.4
137.09541	11.6
141.47563	3.3
142.07730	5.7
143.08517	5.6
145.10097	18.8
147.08029	7.5
147.11687	19.8
149.09578	6.5
153.12726	4.2
157.08585	7.5
157.10110	12.8
159.11658	4.9
161.09628	3.9
163.11136	5.5
165.09019	3.6
175.11171	19.5
185.13179	4.7
189.11160	8.0
193.12198	35.6
211.13237	26.2
227.12764	13.0
267.15900	13.6
273.18497	15.2
275.20038	4.5
285.16922	21.5
291.19418	23.1
301.16443	20.8
338.38446	3.4
365.23019	12.5
399.23608	12.2
439.26816	4.6
479.29993	20.9
487.86453	4.3
554.44995	3.8
557.35114	5.0
591.34552	6.9
609.36096	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	646.3794
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.9
53.03941	1.0
55.01851	1.5
55.05510	11.5
57.03426	16.0
57.07060	1.2
61.02914	3.0
67.05489	45.3
69.03413	1.4
69.07053	16.3
71.01347	1.6
71.04966	4.2
73.02900	0.8
79.05470	36.1
81.03394	4.3
81.07032	46.9
83.04964	9.1
83.08601	9.4
85.02886	1.4
85.06535	1.9
91.03922	1.4
91.05460	15.4
92.08707	1.5
93.07016	55.0
95.04956	5.1
95.08582	12.5
96.59266	0.9
97.02898	1.1
97.06514	9.9
97.10158	6.4
99.08068	1.4
105.07008	4.9
107.04971	1.2
107.08569	32.3
109.06480	1.5
109.10128	6.0
111.08074	5.1
117.06998	6.6
119.08508	5.3
121.06542	1.0
121.10107	15.9
123.11631	1.2
126.40304	0.7
131.08545	4.8
133.10104	5.1
135.08028	1.3
135.11667	32.0
137.09543	1.0
139.11108	1.0
145.10071	7.2
149.02307	1.8
149.13203	13.2
159.11703	6.7
163.11128	4.1
177.12700	1.6
181.12222	4.5
193.04909	3.5
195.13779	3.9
213.14674	0.8
218.56517	0.7
219.11226	0.7
237.07524	0.9
255.15831	24.2
269.17404	21.5
385.09253	0.9
414.18405	0.8
429.11761	1.8
445.81570	0.8
449.28870	100.0
450.29459	1.5
460.10645	0.8
646.31677	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	644.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.38518	0.2
53.03953	0.2
55.01848	0.2
57.03429	0.5
61.02917	0.5
67.05506	0.4
69.03413	1.1
71.04949	0.4
76.99581	0.2
79.05470	0.4
81.03405	1.7
81.07025	0.5
83.08588	0.3
85.02895	4.8
91.03900	0.3
91.05460	1.0
93.07024	0.4
95.04949	1.2
95.08571	0.3
97.02885	1.8
101.15524	0.2
105.07021	1.3
107.04936	100.0
109.02855	0.4
109.06494	0.3
119.08606	0.3
121.06493	1.6
121.10106	0.3
123.04438	0.2
127.03857	0.9
131.04886	0.3
133.06471	6.9
137.05954	6.7
145.04964	0.3
147.11676	0.3
151.07513	12.1
153.12575	0.3
161.05946	4.2
163.05978	0.3
165.05441	0.5
165.66054	0.2
173.05978	0.2
175.11142	0.4
179.07045	0.9
190.54210	0.2
193.12183	0.8
211.13234	0.4
239.10625	0.3
257.11655	14.8
267.10071	0.3
267.15985	0.3
269.77661	0.3
272.41986	0.2
285.11295	2.6
285.16852	2.5
303.12222	15.6
321.15823	0.2
524.81769	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.5439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.0
54.87353	2.0
55.05505	26.0
57.07059	3.6
67.05492	46.1
68.82658	1.8
69.07058	29.8
69.77158	2.0
79.05470	36.2
81.07038	100.0
83.08598	10.0
85.06523	2.8
91.05448	30.9
93.07022	87.4
95.04964	4.5
95.08578	79.3
97.06494	4.3
97.10141	3.6
105.07014	61.9
107.08582	75.8
109.06502	4.3
109.10145	52.1
110.60115	2.3
117.06969	13.4
119.06072	2.2
119.08565	60.3
120.08868	2.8
121.10120	47.4
122.10333	2.0
123.10911	2.5
123.11649	17.8
129.07019	3.6
130.07671	2.8
131.08546	21.8
133.10110	39.5
135.11671	22.6
137.13318	3.2
142.07765	3.9
143.08549	10.4
144.09322	2.2
145.10092	31.1
147.11665	22.9
149.09578	3.3
149.13231	20.7
151.11168	2.6
156.09300	3.0
157.10127	12.0
159.11664	29.1
161.13246	20.6
161.67677	2.0
163.11096	2.5
163.14767	11.5
169.10071	3.9
171.11690	11.0
172.12471	2.6
173.13179	16.9
175.14812	9.8
177.16409	2.8
183.11668	4.3
185.13257	8.0
187.14787	13.6
189.16394	3.9
197.13217	3.9
199.14775	4.9
201.16367	11.0
203.17943	3.8
205.15915	2.4
211.14812	4.1
213.16325	8.2
215.17883	8.5
227.17914	2.6
241.19432	3.4
353.34467	2.3
409.04150	2.3
445.96793	2.5
625.53656	16.4
643.53955	8.2
647.69025	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4565
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	4.1
54.82093	1.8
55.01857	15.8
55.05506	38.8
57.03420	8.3
57.07041	1.9
57.94236	1.7
65.03905	2.9
66.30435	1.9
67.05489	73.5
69.03407	2.7
69.07057	25.5
71.04978	2.3
79.05475	74.6
81.03394	11.5
81.07037	100.0
83.04967	21.0
83.08605	15.8
85.02885	4.5
89.77434	2.1
91.05458	45.4
93.07017	69.0
95.04958	25.9
95.08582	39.9
97.06523	4.1
97.10133	12.5
99.08054	2.2
105.04526	2.0
105.07009	36.6
107.04922	4.7
107.08578	40.1
109.06506	4.9
109.10142	17.7
111.04432	19.6
111.08041	10.0
112.93927	2.2
115.05460	2.4
117.06989	13.8
119.08550	26.2
121.06497	8.2
121.10120	20.1
123.08045	32.1
125.09583	12.3
129.07002	3.9
131.08543	17.9
133.10121	13.8
135.08014	4.4
135.11650	13.9
137.09583	3.5
143.08574	3.2
145.10123	25.2
147.08035	8.1
147.11613	8.6
149.09592	4.7
153.12730	4.7
159.11682	7.9
161.09563	3.1
163.11128	17.8
173.13222	4.0
175.11098	3.0
181.12210	9.4
189.11151	4.4
211.14809	2.1
223.13203	3.3
226.41975	2.4
227.12718	12.1
239.36060	2.2
261.22256	2.3
273.18439	16.7
291.19449	42.8
313.25739	2.1
335.25781	29.1
365.23120	18.8
463.96011	2.5
509.47693	2.5
583.54187	2.8
625.44800	19.4
643.45807	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5298
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	7.3
57.07058	49.9
67.05489	51.4
69.07044	26.2
71.08597	33.2
79.05468	32.4
81.07037	61.0
83.04973	7.4
83.08591	7.3
85.10159	10.7
91.05447	13.3
93.07008	36.9
95.08591	41.2
97.10156	8.8
101.94701	5.9
102.34551	5.4
105.83803	8.2
107.08567	10.8
119.86916	7.5
121.10136	9.3
123.78126	6.2
135.11642	6.1
139.01389	5.8
146.63605	6.2
149.13251	8.9
168.96869	6.4
277.82590	6.6
295.13266	6.3
313.27307	29.0
507.40454	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	643.4415
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48177	0.2
53.70355	0.2
54.57526	0.2
55.05497	1.1
57.07058	0.4
60.44040	0.2
67.05499	3.1
69.07050	2.7
79.05471	1.1
79.51180	0.2
81.03395	1.2
81.07030	4.1
83.04950	0.4
83.08591	1.2
83.16446	0.2
85.02886	0.3
88.60263	0.2
91.05447	1.1
92.09335	0.5
93.07021	1.0
95.04948	0.3
95.08579	3.3
97.02881	0.4
97.10106	0.4
103.05409	0.4
105.06992	1.3
107.04913	0.4
107.08572	1.2
109.10136	5.1
109.99147	0.3
111.11673	0.5
117.07001	0.3
119.08545	2.4
120.24763	0.3
121.10132	0.3
122.07236	1.0
123.11668	1.2
124.04843	0.2
126.11967	0.2
133.10098	1.0
137.09596	9.8
145.10060	0.3
147.11609	0.3
149.09607	1.3
149.13245	0.3
165.09074	100.0
166.09392	1.1
176.98349	0.3
177.08978	0.3
179.10652	1.5
191.10587	0.4
195.41016	0.2
205.12213	4.3
205.17949	0.3
213.56993	0.2
271.49652	0.2
323.52090	0.3
427.35580	5.4
463.30322	0.4
496.41742	0.3
613.62445	0.3
641.12909	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.5124
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	33.6
57.07067	75.8
67.05479	38.5
68.42262	6.1
69.07039	38.2
71.08610	48.6
73.06512	7.2
77.17610	6.2
79.05463	30.0
79.08047	6.0
81.07033	89.0
83.08582	7.8
85.10154	15.7
87.04465	6.2
89.06009	100.0
91.05460	39.4
93.07032	74.4
95.04913	8.5
95.08576	67.6
97.06484	9.5
103.05444	6.6
105.07003	64.3
107.08561	58.3
109.10147	38.1
117.07013	9.2
119.08562	61.6
121.10097	33.2
125.09586	7.9
131.08536	27.1
133.08586	52.9
133.10074	10.8
135.11641	25.3
143.08549	9.7
145.10052	12.3
147.11653	16.1
149.13208	8.7
155.08611	7.2
157.10161	13.1
159.11612	25.0
169.10115	7.5
175.14854	8.7
177.11238	8.9
190.64218	7.6
276.12024	6.6
343.32156	7.9
351.44983	6.5
625.48773	15.1
642.52393	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	641.4258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22646	0.5
55.05498	1.9
57.03437	0.6
63.76009	0.5
67.05486	5.1
69.03422	0.5
69.07034	0.6
79.05458	1.1
81.03394	2.2
81.07034	5.9
83.04963	0.8
83.08591	0.7
85.02871	1.1
91.05459	4.4
93.07002	2.6
95.04948	0.7
95.08571	3.6
97.02863	0.6
105.06988	3.1
106.72160	0.6
107.08540	2.2
107.27830	0.5
109.10127	4.9
117.07014	0.6
117.12917	0.6
119.08562	4.0
121.10114	1.2
122.07258	0.9
129.06978	0.6
133.10104	1.2
135.11705	1.1
137.09590	12.3
145.10034	0.7
147.11655	0.8
149.09680	0.9
149.13295	0.6
165.09068	100.0
175.23434	0.5
176.43959	0.5
180.82526	0.6
205.12248	2.7
208.74576	0.6
218.22621	0.5
260.84146	0.6
291.26794	0.9
425.34174	1.0
443.35019	10.0
462.69098	0.6
641.30627	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	642.26
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.6
55.01863	0.6
55.34336	0.5
57.03428	3.7
57.07063	6.7
61.02905	6.2
65.03911	3.0
67.05491	7.2
68.99770	0.9
69.03418	9.4
69.07028	0.9
71.04975	4.9
73.02875	1.8
77.95973	0.4
81.03406	4.4
83.04954	2.6
85.02888	57.1
85.06522	5.8
87.04444	1.7
91.03938	3.8
92.08621	0.8
93.03390	1.1
95.04944	19.9
97.02874	16.7
99.04404	2.6
109.02855	4.9
111.04429	19.2
112.12867	0.5
113.05986	47.4
121.02843	5.1
121.03951	0.7
121.06479	1.8
122.33085	0.5
127.03890	13.0
131.07013	100.0
139.03882	64.1
145.04945	15.1
156.04193	1.9
163.05969	5.6
171.06488	68.1
180.08690	0.6
220.86638	0.4
237.02798	0.7
293.12238	24.5
310.14929	4.9
333.11600	1.9
342.93710	0.5
350.14413	0.5
364.78033	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	642.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73097	2.3
54.81936	2.2
55.01841	2.8
55.05501	6.9
55.59845	2.5
57.03431	3.1
61.02934	2.7
64.33631	2.4
67.05495	20.8
69.07053	12.0
79.05485	23.2
81.07053	24.7
83.08620	3.2
91.05455	33.1
93.07024	27.2
95.04967	4.6
95.08589	21.0
104.76345	3.0
105.07006	32.7
107.08593	14.7
107.24981	2.7
109.10152	5.6
117.07012	17.0
119.08556	23.8
121.10133	6.5
129.06985	13.5
131.08539	31.1
133.10078	11.0
143.08514	5.6
145.10104	19.0
159.11653	4.4
171.11729	3.8
183.11726	4.3
197.13214	3.8
244.96642	3.1
356.56354	2.8
371.25842	5.9
389.26605	4.8
445.29391	100.0
463.30295	37.3
524.70557	3.5
596.21332	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	642.3847
Annotation	Unknow
Peak:m/z	Relative Intensity
54.73097	2.3
54.81936	2.2
55.01841	2.8
55.05501	6.9
55.59845	2.5
57.03431	3.1
61.02934	2.7
64.33631	2.4
67.05495	20.8
69.07053	12.0
79.05485	23.2
81.07053	24.7
83.08620	3.2
91.05455	33.1
93.07024	27.2
95.04967	4.6
95.08589	21.0
104.76345	3.0
105.07006	32.7
107.08593	14.7
107.24981	2.7
109.10152	5.6
117.07012	17.0
119.08556	23.8
121.10133	6.5
129.06985	13.5
131.08539	31.1
133.10078	11.0
143.08514	5.6
145.10104	19.0
159.11653	4.4
171.11729	3.8
183.11726	4.3
197.13214	3.8
244.96642	3.1
356.56354	2.8
371.25842	5.9
389.26605	4.8
445.29391	100.0
463.30295	37.3
524.70557	3.5
596.21332	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	641.3138
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30210	1.0
55.01845	0.9
55.05506	2.5
57.03437	1.5
57.25091	0.9
61.02910	6.2
67.05490	11.7
69.03411	4.8
69.07067	1.9
71.04974	2.2
73.02905	1.8
79.05484	5.9
81.03410	11.5
81.07057	8.4
83.04976	2.4
83.08621	4.9
85.02891	7.5
85.06540	1.3
91.03938	1.7
91.05470	6.6
93.07029	4.8
95.04948	4.4
95.08563	2.4
97.02885	4.6
97.06560	1.3
102.78165	1.0
105.07042	4.6
107.04969	1.3
109.02853	1.2
109.06522	1.1
109.10160	12.1
111.08063	1.4
111.26419	1.1
119.08592	1.8
127.03902	1.8
129.07004	1.3
130.93135	1.0
131.08600	3.9
133.10100	2.0
147.11691	2.6
157.10138	1.8
163.11185	1.2
165.09096	5.6
173.11778	2.3
193.12248	2.2
203.33795	1.1
211.13327	1.9
229.14398	1.9
243.08495	1.4
267.08008	1.3
306.49960	1.2
413.17706	9.8
431.16675	1.2
469.20435	9.5
512.10919	1.3
542.53491	1.1
641.31360	100.0
642.31781	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	641.3531
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	9.3
55.01865	5.1
55.05509	30.9
57.03430	23.0
60.02052	2.5
66.24104	2.4
67.05499	61.8
68.47749	2.1
69.03425	22.8
69.07050	28.1
71.04992	9.2
79.05475	50.3
81.03408	100.0
81.07046	84.8
83.04969	29.7
83.08598	35.5
85.02905	24.5
85.06532	4.6
91.05467	44.1
93.07029	71.2
95.04953	30.5
95.08604	26.6
97.02863	16.5
97.06525	12.3
97.10126	6.2
99.04452	3.7
104.72119	2.7
105.07022	27.2
107.04910	4.7
107.08593	37.1
109.02846	12.3
109.06512	10.4
109.10149	5.3
111.04444	5.6
111.08055	13.0
117.06995	4.5
119.08607	18.0
121.06505	4.6
121.10114	21.8
123.08031	4.2
127.03870	3.8
129.06999	14.1
130.43768	2.7
131.08569	23.8
133.06467	5.8
133.10121	15.8
135.11691	5.7
137.09608	5.9
145.10159	3.9
147.11679	18.5
149.09590	3.5
149.13226	19.4
157.10101	20.2
159.11659	6.3
163.11189	2.7
165.09109	32.3
165.12781	2.7
175.11148	14.4
193.12215	38.5
211.13281	31.2
222.24899	2.4
240.54558	3.3
240.96318	2.5
247.51787	2.7
267.15979	21.8
269.17471	40.5
285.16888	12.0
311.21039	2.7
329.39850	2.5
355.17307	5.7
383.76059	2.9
413.21582	4.9
429.21057	14.2
461.28952	62.4
479.29926	42.1
623.34198	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	641.2966
Annotation	Crooksiine
Peak:m/z	Relative Intensity
55.05504	3.8
59.69952	1.9
67.05489	8.0
69.07051	3.7
79.05480	13.8
81.07029	14.0
83.04961	2.2
91.05447	13.9
93.07021	15.3
95.04964	2.6
95.08589	11.5
96.33177	1.7
105.07007	13.6
107.04947	1.9
107.08591	8.7
109.06535	2.4
109.10168	3.4
109.80829	1.8
119.08574	13.9
121.10146	2.5
131.08588	3.7
133.10106	4.4
145.10114	6.7
147.11731	2.9
157.10107	2.7
158.51241	2.0
159.11743	2.5
407.22354	8.0
419.18857	2.3
420.19363	2.5
434.21130	2.2
435.21866	8.2
449.19769	12.9
463.21124	2.4
494.22903	2.7
521.25793	4.2
570.64514	2.1
581.27295	25.8
641.29657	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	641.1707
Annotation	Laricitrin 3-rutinoside
Peak:m/z	Relative Intensity
50.72229	0.2
53.03929	0.2
55.01846	0.2
55.05481	0.3
57.03428	2.5
57.99582	0.2
61.02913	0.8
64.42056	0.2
68.99754	0.4
69.03414	1.9
71.04975	11.5
73.02885	0.9
75.04475	0.3
81.03394	1.2
83.04966	0.5
85.02888	16.3
87.04443	0.3
97.02898	1.8
97.03397	0.2
99.00093	0.2
99.04408	0.3
109.02850	1.2
111.00773	1.3
111.04417	0.8
121.10136	0.3
122.93430	0.2
123.04435	0.3
127.03875	0.5
129.05449	1.9
129.75388	0.2
132.15730	0.2
137.02313	1.0
138.03056	0.2
139.03882	2.8
145.04932	0.3
147.06483	1.0
153.01788	7.2
165.01794	2.6
166.02533	0.4
167.03354	2.3
167.06979	0.2
172.04611	0.2
179.03404	0.4
183.02881	0.8
189.05510	0.3
193.04819	0.8
206.05739	0.4
210.01373	0.2
216.04080	0.4
217.04910	3.2
219.02797	3.0
233.04408	1.4
234.05167	0.5
243.02592	0.2
244.03648	1.6
245.04408	4.7
247.02168	0.3
249.03868	0.3
259.05975	1.1
261.04028	0.9
272.02979	0.5
273.03922	4.9
277.06982	1.2
287.05423	1.2
289.03326	2.4
290.04105	2.1
300.02634	0.3
301.03391	6.2
304.05771	0.7
315.04858	0.5
318.00760	0.2
318.03613	10.4
333.05969	100.0
334.06415	1.1
353.45029	0.3
375.23453	0.2
403.73828	0.2
434.27136	0.2
480.34985	0.2
549.25360	0.3
634.85651	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	640.5147
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	5.4
53.03949	6.5
55.01859	10.3
55.05499	62.7
57.03427	8.6
57.07067	57.1
65.03909	8.1
67.05493	57.7
69.07052	39.7
71.08610	33.4
72.15442	6.2
72.57056	6.0
79.05470	48.8
81.07041	69.7
83.04974	16.1
83.08601	37.6
83.10179	6.4
85.10149	8.8
91.05459	34.4
92.09208	9.0
93.07033	58.9
95.04949	100.0
95.08576	61.0
97.10146	28.7
103.59738	6.9
105.07019	34.7
107.04927	11.1
107.08595	36.4
109.06532	6.9
109.10143	27.2
111.04421	9.4
117.06980	8.9
119.08560	30.3
123.08114	7.3
131.08546	12.0
133.10107	13.9
143.08540	8.2
145.10141	13.9
149.09607	31.1
159.11736	9.1
163.11142	32.3
189.11140	9.7
223.13284	30.9
257.18536	8.1
275.19952	41.6
293.21030	16.0
307.29086	8.3
313.27310	81.8
367.24686	35.2
442.87912	7.2
450.18057	8.0
461.53278	6.8
587.46033	14.2
605.47766	71.5
639.06860	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	640.5142
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81287	5.3
55.05489	14.9
55.73880	6.8
57.03415	15.5
57.07072	72.5
67.05489	80.3
69.07051	42.6
71.08612	59.8
78.33403	6.4
79.05473	52.4
81.07039	100.0
83.04958	11.9
83.08599	15.6
85.10166	10.8
88.71255	6.4
91.05450	45.6
93.07020	71.8
95.08590	60.9
97.06509	6.6
97.10174	8.6
105.06998	35.5
107.08597	16.7
109.10126	15.6
117.07019	13.8
119.08570	15.3
133.10123	10.8
135.11610	11.7
145.10132	8.6
147.31560	7.4
184.31256	7.0
208.07574	7.6
237.28461	7.2
255.15880	9.2
275.20041	26.3
313.27368	63.2
349.23880	8.6
367.24677	10.3
415.15540	7.8
491.98166	9.3
493.38437	11.6
507.40256	84.6
587.45770	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	640.3172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
54.81540	0.5
55.01859	0.8
55.05503	10.0
57.03426	5.7
61.02912	6.6
67.05489	20.5
69.03400	0.8
69.07048	4.3
71.04981	1.3
72.08145	3.3
73.02895	3.2
73.06538	0.7
77.87664	0.5
79.05475	32.9
81.03403	4.6
81.07038	18.3
83.04961	9.9
83.08598	3.1
84.04500	0.8
85.02892	9.5
85.06532	1.0
86.09710	1.1
91.03932	4.9
91.04885	0.7
91.05460	20.3
91.06002	1.0
93.07025	28.9
95.04953	10.0
95.08585	11.2
97.02866	3.9
97.06536	1.3
97.10168	2.2
105.04474	0.6
105.07008	18.2
107.04943	3.6
107.08581	7.9
108.79042	0.5
109.06499	2.4
109.10110	2.1
110.07144	0.6
117.07014	4.0
119.08555	10.5
119.09296	0.8
121.06480	1.3
121.10110	1.0
123.04314	0.6
123.08056	3.3
127.03896	2.6
128.06223	0.6
129.06967	7.6
131.08441	0.8
133.10124	4.4
135.11612	1.1
135.45886	0.6
141.09210	0.6
143.08554	4.5
145.10124	5.4
147.11656	15.6
159.11772	0.7
161.09612	2.2
161.13222	6.0
163.06017	0.6
171.11658	12.7
177.72496	0.6
189.12660	4.3
195.33737	0.6
203.73753	0.6
207.13766	7.5
212.77324	0.6
215.15588	0.6
220.38533	0.5
242.11578	0.8
259.14417	3.2
260.14722	0.7
281.17413	100.0
418.47852	0.6
443.22641	3.9
521.83649	0.6
541.27734	0.7
640.35834	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.4322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.88364	0.6
55.05492	3.0
57.07063	1.3
58.06591	7.1
67.05502	0.8
70.67714	0.5
72.08141	12.7
73.06532	1.0
79.05473	0.9
81.07057	2.1
83.04963	1.5
86.09689	21.9
89.40558	0.6
93.03500	0.6
93.07009	0.8
95.08566	1.0
96.09541	0.7
97.65656	0.6
100.11231	100.0
101.05982	1.4
105.07013	3.1
107.08556	1.2
109.10148	0.9
112.86031	0.6
119.08564	2.8
121.10124	0.7
128.10718	0.7
140.14323	3.9
146.11787	1.6
154.12267	1.4
157.10063	0.7
162.00490	0.7
172.13322	2.8
204.77008	0.7
228.15950	6.7
285.21707	1.4
299.23389	5.2
309.21597	0.7
327.22665	7.7
346.56528	0.7
458.31940	3.8
611.43762	21.5
639.43549	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	639.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	7.6
54.81583	0.8
55.01857	5.9
55.05504	22.1
57.03431	15.3
62.05308	0.9
63.34633	1.0
65.03941	1.3
67.05492	28.4
67.57388	1.0
69.03407	12.9
69.07037	8.3
71.04982	7.4
73.02872	1.1
79.05469	31.4
81.03398	100.0
81.07034	33.6
81.71556	1.0
83.04961	21.1
83.08600	22.2
85.02886	23.8
85.06554	1.0
90.74321	1.2
91.05458	36.1
92.08648	2.2
92.60029	1.2
93.07027	26.1
95.04946	32.3
95.08576	11.1
97.02856	11.6
97.06518	4.7
97.10147	8.2
99.04417	1.8
100.62462	1.0
103.03870	1.3
105.07011	32.7
107.04925	10.2
107.08597	12.0
109.02860	21.3
109.06472	7.4
109.10142	5.9
111.04416	13.2
111.08054	12.6
113.05939	2.1
115.05459	2.0
117.06953	3.2
119.04942	1.5
119.08548	22.7
121.06496	6.0
121.10120	11.7
123.04472	1.7
123.08057	1.2
123.11658	2.0
125.09613	5.9
127.03898	5.8
128.06224	1.5
129.05496	1.1
129.07007	15.2
131.04913	1.3
131.08522	14.2
133.06474	5.0
133.10100	11.1
135.08022	1.6
135.11661	4.8
139.07373	1.2
141.06981	1.2
142.07816	1.5
143.08537	1.5
145.06470	2.0
145.10101	7.9
147.07973	5.1
147.11664	13.7
149.09607	6.2
151.11177	1.2
153.12750	1.3
153.40186	1.1
155.08562	1.2
157.10123	16.8
159.07994	1.4
163.11166	4.4
165.05478	1.2
165.09091	4.0
165.12721	2.0
169.10100	1.5
171.08034	1.7
171.93579	1.1
175.11156	12.2
181.12234	2.3
193.12210	34.9
199.11295	1.5
211.11375	1.6
211.13252	36.9
217.12242	1.1
227.12697	2.2
267.15781	14.7
273.14716	1.6
283.15240	1.1
285.16934	9.9
301.14331	4.2
355.17432	2.0
367.22394	2.5
385.23483	4.2
411.19867	1.5
429.21085	1.8
459.27402	12.1
477.28452	16.0
495.29352	15.8
501.28009	1.4
577.93634	1.1
585.30035	1.6
603.31311	5.5
621.32678	14.5
639.33685	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.8
53.03943	6.5
53.18361	0.5
55.01866	7.3
55.05506	21.7
57.03426	12.0
58.52567	0.8
58.87873	0.6
65.03928	0.9
67.05141	1.2
67.05492	28.9
67.28783	0.6
69.03414	12.1
69.07069	9.0
71.01343	0.8
71.04980	7.4
79.05475	29.8
81.03399	100.0
81.07036	34.0
83.04514	1.3
83.04967	20.2
83.08608	22.6
83.52863	0.8
85.02891	23.4
85.06563	2.8
91.04885	1.1
91.05464	33.1
93.07028	22.2
94.92542	0.7
95.04949	33.8
95.08579	10.9
97.02866	15.0
97.06512	6.2
97.10150	10.3
99.04430	3.1
105.07017	25.3
107.04930	11.7
107.08598	12.6
109.02860	20.0
109.06501	5.8
109.10130	6.1
111.04421	12.4
111.08068	10.2
113.05965	1.2
115.05475	1.9
117.06982	5.2
119.04915	1.5
119.08555	24.1
121.06484	6.2
121.10121	10.9
123.04414	1.6
123.08044	1.9
123.11673	3.6
123.99203	0.9
125.09606	5.5
127.03911	4.9
128.06189	1.1
129.06993	12.4
131.04846	1.1
131.08546	15.7
133.06477	4.9
133.10107	10.6
135.08000	3.4
135.11670	3.7
137.09601	6.5
142.07791	3.6
143.08501	1.7
145.06454	2.9
145.10123	5.0
147.04367	1.4
147.08028	4.8
147.11668	19.1
149.06001	1.0
149.09578	7.4
153.12759	1.1
155.08571	1.5
157.10097	13.9
161.05936	1.3
161.09692	0.9
163.11171	7.3
165.09079	30.3
165.12695	3.6
173.09651	1.3
175.11166	16.0
181.10156	0.9
181.12201	1.6
187.11208	0.9
189.11221	1.8
191.10677	1.5
193.12202	42.4
199.11115	1.0
205.12244	1.1
211.13243	29.4
227.12740	3.4
235.13217	1.0
249.14822	1.1
255.13765	1.4
267.15872	17.0
273.14734	1.3
283.15668	1.1
285.16925	10.9
301.14349	3.9
309.16864	1.3
319.15234	1.5
337.16315	1.5
355.17252	3.3
367.22647	3.5
375.18256	1.0
385.23703	1.7
393.18506	0.9
411.20163	3.0
429.21106	3.4
441.33224	1.8
459.27435	10.2
477.28403	14.2
483.10422	0.9
495.29416	13.3
519.29309	1.0
561.30835	1.3
573.30249	1.1
585.30438	4.0
603.31390	4.8
621.32605	15.7
628.09100	0.9
639.33661	32.0
640.34460	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	638.3017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03670	0.3
53.03936	1.9
54.26117	0.3
55.01861	0.7
55.05506	10.0
57.03398	0.4
57.07063	0.8
61.02913	0.6
67.05489	2.8
69.03410	5.3
69.07054	15.9
69.14958	0.5
71.04966	0.8
73.02892	0.7
77.19347	0.3
79.05484	2.0
81.03396	4.1
81.07035	8.6
83.04968	0.4
83.08611	4.6
85.02887	12.4
85.03366	0.6
85.73409	0.4
87.00811	7.5
91.05457	10.7
93.07030	5.7
95.04976	0.6
95.08579	9.4
95.47398	0.5
97.02869	4.3
97.06535	0.4
99.04440	1.9
105.01841	7.0
105.07013	28.6
107.08576	14.5
109.02905	3.0
109.06505	0.5
109.10144	1.7
117.06976	4.2
119.08557	97.9
120.08873	0.6
121.10129	6.1
123.04414	0.4
127.03885	5.2
131.08525	2.3
133.10104	49.8
135.11674	6.0
145.04933	1.9
145.10100	3.1
146.10947	0.6
147.11684	7.7
150.27829	0.3
157.10092	0.5
159.11674	0.4
160.12465	2.0
161.13292	0.7
167.67365	0.4
173.13261	0.7
175.14786	100.0
176.15083	0.7
177.00529	0.4
177.16333	0.6
178.73758	0.3
193.15810	2.3
231.04927	0.8
249.05977	2.5
319.09894	0.6
405.18732	0.5
463.77524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	639.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.2
55.01859	6.9
55.05500	23.9
57.03424	15.5
59.04983	0.5
59.83136	0.4
63.11281	0.3
63.46482	0.4
65.03921	1.1
67.05486	25.7
69.03066	0.8
69.03408	15.1
69.07048	6.8
71.01337	0.6
71.04972	6.8
73.02904	0.8
74.38752	0.4
77.03875	0.4
79.05471	28.3
81.03393	100.0
81.07032	31.6
83.04455	0.7
83.04958	20.4
83.08596	24.1
85.02883	24.0
85.06519	2.6
91.05455	33.5
93.03358	0.7
93.07014	19.7
95.04942	30.9
95.08575	11.7
97.02869	13.3
97.06513	6.3
97.10131	9.4
99.04433	3.1
99.08066	0.7
101.02376	0.6
103.03867	0.5
103.05439	1.0
105.07003	26.1
107.04931	10.0
107.08574	10.1
109.02854	19.6
109.06506	6.0
109.10128	4.4
111.04422	9.3
111.08060	9.3
113.05988	2.1
115.05423	2.6
117.07004	6.6
119.04946	1.9
119.08549	21.2
121.06478	5.5
121.10109	11.2
123.04419	2.5
123.08051	3.9
123.11672	2.5
125.05981	1.0
125.09602	5.8
127.03883	5.4
128.06216	0.7
129.05521	0.6
129.06979	13.7
131.04932	0.8
131.08531	13.3
133.06459	4.6
133.10097	12.1
135.04410	0.5
135.08049	2.4
135.11676	2.6
137.05968	0.9
137.09572	3.7
141.06985	0.8
142.07816	3.2
143.08540	1.8
145.06480	2.8
145.10100	5.1
147.04387	2.0
147.08002	5.5
147.11656	16.3
149.05943	1.8
149.09572	6.4
151.11160	0.5
153.09079	1.0
153.12709	3.4
155.08536	1.0
157.06490	0.6
157.10094	13.7
159.08038	0.8
159.11725	0.6
161.05957	1.0
161.09607	0.9
163.11145	3.8
165.09061	9.4
165.12721	4.3
169.10121	0.6
171.08069	1.0
171.11667	1.0
173.04480	1.6
173.06004	0.4
173.09567	1.5
175.11139	12.9
181.10191	0.6
181.12193	2.9
183.08061	0.5
183.13936	0.4
187.07486	0.5
189.11188	0.9
189.12735	0.9
191.10635	2.1
193.12195	31.4
195.11679	0.5
199.11217	0.6
211.13243	30.9
213.12714	0.7
217.12315	0.8
227.12746	2.3
231.13702	0.5
233.15424	0.8
235.13222	0.7
245.15277	0.5
249.14757	1.0
253.99557	0.5
255.13625	0.6
259.13403	0.7
267.15848	14.8
271.16940	0.7
273.14828	2.2
277.14273	0.9
283.15271	2.2
285.16937	8.2
301.14206	3.8
309.16595	0.7
319.15372	2.1
337.16495	2.4
349.21432	0.5
351.18021	0.6
355.17484	2.0
367.18396	0.6
367.22595	1.4
375.17712	0.7
385.23746	2.5
393.19104	2.9
403.24722	0.7
411.19684	3.0
429.21008	3.5
441.26346	0.6
449.29419	0.5
459.27274	10.9
477.28381	15.3
478.28900	0.5
493.27426	0.5
495.29422	12.4
511.28705	0.7
519.29852	0.7
561.30457	0.8
567.29651	0.9
573.31110	1.4
585.30920	3.5
603.31226	3.9
621.32642	13.8
622.32776	0.7
639.33557	26.5
640.33722	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	7.2
54.36786	1.2
55.01863	12.9
55.05505	31.7
57.03172	1.9
57.03428	23.3
57.07047	1.3
59.04991	2.4
61.02912	7.7
65.03919	2.2
67.05489	97.5
68.05822	3.0
69.03412	21.7
69.07059	10.5
71.01347	2.0
71.04980	7.9
73.02866	2.5
79.05476	43.9
81.03396	100.0
81.07040	48.6
82.03722	1.7
82.07362	1.9
83.04961	26.6
83.08600	29.3
85.02885	30.4
85.06527	3.0
91.05460	44.6
92.08659	2.8
92.98973	1.3
93.07022	29.3
95.04942	31.0
95.08569	19.7
97.02868	14.8
97.06509	5.3
97.10145	12.1
99.04436	6.0
105.07016	26.0
107.04951	16.7
107.08582	13.8
109.02874	11.7
109.06501	9.5
109.10134	64.3
109.81986	1.4
110.10470	7.7
111.04415	10.4
111.08051	12.1
113.05952	1.5
113.75945	1.3
115.05385	2.0
117.07005	9.9
119.08563	26.9
120.08822	1.7
121.02860	1.8
121.06483	7.2
121.10141	8.8
123.04341	1.9
123.08035	5.7
125.09624	7.2
127.03890	6.0
129.06958	15.3
131.04910	2.1
131.08536	15.1
133.06461	7.0
133.10100	10.0
135.04437	2.6
135.11671	6.8
137.09578	2.7
142.07784	2.0
143.08548	1.9
145.06447	6.5
145.10120	8.6
147.04338	1.9
147.08072	5.9
147.11685	14.4
148.12012	1.5
149.09602	7.2
153.12724	7.0
155.08516	2.9
155.10669	2.0
157.10092	11.6
158.10443	1.8
163.11163	9.1
165.12778	1.7
171.07799	1.6
173.04454	2.9
173.05838	1.7
173.09572	3.0
173.11707	11.8
173.13058	1.5
174.12048	1.5
175.11159	11.0
189.11234	2.6
191.10670	1.8
193.12192	26.0
194.12547	2.2
211.13277	20.8
211.42160	1.3
212.13660	3.4
227.12675	6.9
229.14316	26.3
230.14677	8.0
235.80084	1.5
247.13264	3.1
265.14001	2.5
267.15897	11.5
268.16437	1.9
285.16885	14.3
286.17175	3.1
327.61301	1.5
383.22217	2.4
419.24298	1.5
421.25760	10.8
422.26337	5.7
439.26910	35.4
440.27173	36.8
475.26740	12.4
493.27856	6.3
619.30536	7.5
637.31989	33.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	12.7
54.81718	1.5
55.01864	15.4
55.05501	38.9
57.03424	11.1
59.04987	2.3
61.02902	2.6
65.03929	1.3
67.05490	35.7
69.03412	23.8
69.07057	11.0
71.04970	10.1
73.02898	1.6
73.40732	1.4
79.05466	43.2
81.03394	100.0
81.07036	33.5
82.95115	1.2
83.01320	2.4
83.04961	29.0
83.08597	22.1
85.02888	17.9
85.06557	1.9
91.05455	37.0
93.06467	2.6
93.07012	32.4
95.04938	31.1
95.08574	17.5
97.02853	20.2
97.06516	8.0
97.10130	13.1
99.04431	3.2
103.05424	1.9
105.07013	22.5
107.04943	18.9
107.08577	23.4
109.02853	19.1
109.06491	10.7
109.10146	11.6
111.04404	18.7
111.08047	10.8
111.24918	1.3
115.05467	1.9
117.06989	15.0
119.04905	1.9
119.08556	21.4
121.06474	12.0
121.07220	1.3
121.10103	17.3
121.34421	1.5
123.04376	2.8
123.08012	10.2
125.09592	8.5
127.03875	7.9
128.06186	1.6
129.05473	1.4
129.06964	13.5
131.04932	2.6
131.08527	14.1
133.06445	6.5
133.10104	12.1
135.08089	10.0
135.11697	11.9
137.05936	2.4
137.09595	2.7
141.06911	1.7
142.07771	5.3
143.08557	3.2
145.06425	5.7
145.10077	18.2
147.08029	2.9
147.11650	10.8
149.09596	7.1
153.12769	9.9
155.08455	2.8
157.06479	2.4
157.10120	8.3
159.07996	1.4
161.05948	8.6
161.09555	2.6
163.11137	17.7
165.12721	1.4
171.08046	2.7
171.11790	1.6
173.04446	2.4
173.05894	1.5
173.09639	2.8
175.11139	8.2
181.12129	5.6
185.09557	1.9
189.11150	3.3
191.10602	2.7
193.12173	15.4
194.48846	1.7
203.14442	1.6
209.11665	3.0
211.13258	23.1
227.12750	9.1
229.14355	1.7
244.22473	1.6
267.15991	5.7
271.13605	1.6
271.17014	1.5
283.15314	6.3
285.10010	1.7
337.16406	2.0
353.15613	1.8
355.17496	2.5
355.22458	1.8
365.20773	1.6
383.22110	10.8
427.19489	1.7
439.26398	2.1
457.25848	14.5
475.26706	39.8
493.28003	11.8
619.30988	13.1
637.22272	2.3
637.32056	64.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	637.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	4.5
55.01854	13.5
55.05265	2.2
55.05505	32.6
57.03429	16.4
58.64050	2.1
59.04977	3.0
61.02890	1.8
63.54074	1.9
65.03934	1.9
67.05184	2.7
67.05489	38.6
69.03410	19.9
69.07050	4.0
71.04957	12.1
71.27618	2.1
73.02883	1.9
79.05469	37.1
81.02933	3.8
81.03394	100.0
81.07033	40.8
83.01323	3.8
83.04964	28.2
83.08602	22.6
85.02892	19.0
91.05450	39.1
91.27326	1.8
92.63188	2.0
93.07014	34.1
95.04944	26.5
95.08580	16.1
97.02865	18.3
97.06493	9.0
97.10117	10.5
98.75113	2.1
99.04420	3.8
105.07003	30.3
107.04929	14.1
107.08575	21.9
108.73790	2.1
109.02867	21.5
109.06511	10.5
109.10127	16.3
111.04437	11.4
111.08033	9.7
117.06989	11.2
117.54314	2.1
119.08533	16.8
121.06482	4.8
121.10108	12.2
123.04395	3.0
123.08070	4.4
123.11666	2.8
125.09595	9.0
127.03855	8.1
129.06969	10.0
131.04922	2.7
131.08525	12.1
133.06436	3.1
133.10081	3.9
135.07999	2.6
135.11676	7.9
139.03874	2.3
143.08516	3.2
145.10065	15.2
147.04407	3.7
147.11664	9.9
149.09645	4.2
153.12704	10.5
163.11125	12.0
165.05534	2.5
165.09058	3.2
175.11185	4.6
181.12178	4.6
189.11172	2.7
191.10623	2.4
193.12177	14.8
211.13254	20.4
227.12778	10.4
229.14255	2.8
230.14862	2.0
267.15863	7.9
280.10959	2.2
283.15344	11.9
301.14227	2.6
383.21799	2.7
427.19128	2.2
432.24194	2.8
437.24796	3.4
439.26450	3.1
457.25427	2.6
475.27283	16.4
493.27771	18.8
518.32477	2.3
565.09894	2.1
619.30597	11.7
637.32135	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00302	0.7
53.03926	1.6
55.01852	2.1
55.05499	16.4
57.03424	20.1
57.07068	1.2
58.78648	0.8
59.04974	4.6
60.21181	0.7
61.02909	9.2
65.03899	0.9
67.05486	100.0
69.03403	5.2
69.07041	6.8
71.04979	6.9
73.02917	1.2
79.05473	18.9
81.03394	52.4
81.03870	1.9
81.07035	32.2
83.04955	13.8
83.08596	25.1
85.02882	27.4
85.06519	4.8
91.03913	1.7
91.05450	27.2
93.07015	16.4
95.04938	19.6
95.08571	14.9
97.02871	7.3
97.06504	3.4
97.10141	2.0
99.04392	0.9
99.08047	1.1
105.07005	18.2
107.04907	4.8
107.08615	8.2
109.06477	5.1
109.10133	85.4
111.04423	1.7
111.08044	12.1
113.05937	1.3
117.06995	1.1
119.08545	22.7
121.06437	1.0
121.10117	7.7
123.08006	1.0
123.11607	0.9
125.09589	1.5
129.06978	8.5
131.04903	0.8
131.08537	9.9
133.06473	2.0
133.10094	8.1
135.11668	0.8
137.09592	5.9
142.07709	1.8
143.62715	0.9
147.08060	1.7
147.11667	12.4
149.09561	4.8
155.10631	3.4
157.10107	11.3
163.11160	1.3
165.12697	1.6
166.17264	0.8
173.11691	21.5
175.11166	10.5
193.12195	28.1
211.13228	30.3
229.14287	49.2
240.31659	1.0
267.15753	11.1
285.16867	23.9
289.65829	1.0
331.85037	0.9
402.55457	1.1
403.24255	1.4
421.25735	16.0
439.26810	90.9
440.26974	1.2
559.88477	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.3585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.01863	3.4
55.05500	17.9
55.65014	0.7
57.03174	1.2
57.03427	22.6
57.07047	0.8
59.04986	5.8
61.02902	8.5
62.66265	0.7
65.03922	1.8
65.09613	0.7
65.10394	0.7
67.05490	100.0
67.57607	0.6
69.03407	4.4
69.07047	5.6
71.04962	5.9
73.02895	1.5
79.05476	18.4
79.85980	0.7
80.12955	0.8
81.03394	51.2
81.03875	1.6
81.07033	25.6
83.04971	13.2
83.08604	23.3
85.02886	25.6
85.03367	1.4
85.06525	3.5
87.04460	0.8
91.03941	1.2
91.05454	26.1
91.24447	0.8
93.07022	15.8
95.04936	19.2
95.08593	11.8
97.02887	6.3
97.06525	1.5
97.10127	3.0
105.07014	19.8
107.04942	5.1
107.08579	8.0
109.06490	3.7
109.10139	90.8
110.10389	1.1
111.04444	1.7
111.08053	10.4
113.05952	1.7
117.06921	0.8
119.08555	22.0
121.06458	1.3
121.10116	6.2
121.55361	1.0
123.08006	1.2
123.11703	1.5
129.06956	9.2
131.08524	6.4
133.06520	1.5
133.10123	8.5
137.09607	4.1
142.07785	1.3
145.10138	3.2
147.08015	1.4
147.11646	10.3
149.09621	5.9
153.89568	0.8
155.10674	4.3
157.10068	12.6
165.12715	1.6
173.11684	21.9
175.11143	10.9
193.12199	28.2
199.33298	0.8
211.13249	29.1
229.14313	49.8
267.15854	11.9
285.16919	28.7
325.48810	0.8
421.25742	16.5
439.26810	96.4
440.27301	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.2921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81708	1.2
59.15930	1.2
63.77719	1.4
64.33293	1.3
67.05482	1.6
69.07055	2.4
72.84762	1.2
81.03407	2.4
84.08075	1.4
86.09677	9.9
90.38490	1.8
91.05434	1.5
93.07011	1.8
93.64467	1.5
94.06552	2.4
95.04909	1.4
95.08565	3.5
105.07065	1.5
107.08567	1.8
110.07159	7.2
115.10269	1.4
119.12111	1.5
122.06010	8.5
125.44740	1.5
131.04916	1.4
133.10017	1.4
136.07567	10.0
140.07053	12.5
144.72549	1.4
146.05948	10.1
147.04372	2.3
148.07552	9.1
151.07591	1.5
152.06998	2.5
164.07060	11.0
166.08652	7.5
167.07001	3.4
172.03864	6.9
174.05505	2.4
176.07024	18.7
181.04875	3.4
191.07019	3.4
204.06560	6.4
235.12450	1.7
237.10136	6.9
238.10905	12.0
239.11766	8.0
249.10161	5.4
250.10928	2.5
251.11786	8.0
263.11700	13.5
264.08896	1.7
264.12442	1.5
265.09695	3.3
265.13293	25.4
267.11209	2.1
271.14270	3.5
277.09534	1.9
278.10419	1.8
279.11212	100.0
280.12064	7.9
287.13623	1.8
291.11218	2.9
293.12781	6.8
295.10754	6.9
297.12302	35.6
298.13135	2.7
309.12286	31.0
310.13068	12.4
311.13812	1.7
321.12131	8.2
337.11734	45.1
338.12503	17.3
339.13321	66.4
339.17422	2.2
339.28192	1.5
340.14258	1.9
369.14444	9.7
371.15967	6.6
392.19510	1.7
412.76389	1.6
438.20276	1.9
460.18631	16.5
478.19583	24.8
479.19925	2.0
480.21048	2.5
510.22076	8.5
601.26447	68.1
631.46594	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.4849
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88689	1.4
63.08626	1.3
66.81803	1.4
72.84583	1.6
73.72826	1.7
79.05499	2.0
79.95802	1.5
81.07042	2.0
88.27294	1.6
93.07040	2.1
95.08585	3.1
119.08530	2.4
138.99690	1.5
207.57547	1.8
212.22922	1.9
237.31212	1.8
241.78499	1.6
550.81274	1.7
633.48358	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	636.2864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.17133	1.5
53.03918	2.0
53.41803	1.7
55.01861	1.9
67.05477	2.4
69.03070	2.8
69.03416	57.4
69.07044	7.2
70.89410	1.6
71.04989	2.9
73.02876	2.8
81.03393	9.5
81.07023	3.3
83.04974	3.3
85.02885	29.7
85.06545	3.4
87.00816	14.1
89.05997	3.4
91.05408	2.1
92.09417	4.7
93.07027	4.4
95.08563	4.8
97.02868	11.5
97.06486	2.9
99.04427	4.7
105.01868	9.0
105.06998	4.0
107.08574	14.1
109.02872	12.8
109.06541	4.6
111.08012	2.5
117.07006	2.5
119.08576	2.5
121.06480	4.3
121.10133	11.4
123.04433	2.7
123.11697	4.7
125.09628	21.3
127.03882	13.3
131.08556	4.0
132.00502	2.0
133.10127	2.9
135.08025	14.0
135.11642	7.8
145.05000	4.6
145.10060	3.3
147.11710	2.8
147.24651	2.0
149.02457	1.9
149.09578	4.5
149.13232	3.0
151.03915	4.7
151.07515	2.7
153.09076	9.4
158.10872	7.4
159.02827	7.4
163.14783	3.9
165.12749	3.5
173.13225	22.7
191.14268	73.8
191.15891	3.4
209.15337	100.0
323.26437	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	633.292
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.3
53.08693	1.5
66.12639	1.4
67.05490	2.4
69.07056	2.8
81.07050	1.6
81.48492	1.6
84.08134	3.1
86.09660	12.8
91.05448	3.5
93.07011	6.9
94.06528	2.2
98.01249	1.5
105.06993	2.4
109.10191	1.8
110.07124	13.9
117.70203	1.9
121.10129	2.1
122.05999	10.8
123.04441	2.5
125.09593	2.0
133.06433	2.8
133.10144	1.8
136.07533	11.9
137.05962	2.5
139.03850	1.8
140.07028	11.9
146.05986	11.0
147.04353	2.7
148.07542	9.1
162.68579	1.6
164.07060	9.4
166.08601	6.9
167.07037	4.0
172.03931	2.6
174.05453	2.4
176.07002	16.0
177.67722	1.5
181.04887	7.0
190.05016	2.1
191.06995	2.6
204.06564	7.8
223.12123	2.1
225.10126	2.6
237.10141	7.2
238.11003	10.5
239.11731	11.2
249.10176	3.6
249.62442	2.0
250.11107	2.6
251.11772	9.1
263.11661	16.8
264.12497	2.7
265.10065	2.8
265.13300	33.4
267.11188	6.1
275.11627	2.2
277.09781	3.6
277.13443	3.0
278.10397	2.1
279.11215	100.0
280.11929	7.2
281.12692	2.6
283.14465	2.3
287.13763	3.7
291.11102	8.8
293.12753	9.3
294.13464	2.0
295.10928	3.3
296.11575	3.7
297.12268	44.6
298.13034	2.6
309.12256	35.2
310.13010	20.7
311.13788	7.0
319.10648	7.2
321.12262	10.3
337.11743	45.8
338.12448	21.9
339.13284	72.5
340.14301	2.9
369.14178	13.5
371.15866	10.2
400.16263	2.7
438.19995	2.4
460.18549	18.6
478.19632	25.3
510.22128	9.6
546.33044	2.0
601.26453	74.6
614.28644	2.0
633.27484	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	632.4431
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47071	3.8
55.05496	34.8
55.05725	4.1
57.07053	6.4
61.54502	4.2
64.47358	4.5
67.05492	42.1
69.03418	9.9
69.07045	27.8
71.04974	12.7
72.63847	4.6
79.05462	32.2
81.07048	56.1
83.04961	12.4
83.08604	51.4
85.06528	9.6
91.05470	58.2
93.07018	70.8
95.04945	33.3
95.08587	42.8
97.06497	26.5
105.06371	6.6
105.07015	100.0
107.08585	73.3
109.06490	23.3
109.10168	39.2
111.08076	10.1
113.09635	7.9
117.06989	39.7
119.08568	83.1
121.06506	6.9
121.10118	30.9
123.08082	6.6
125.09605	25.6
128.06194	10.4
129.07007	23.7
130.07771	10.1
131.08536	44.7
133.10144	39.5
134.52151	4.9
135.07982	15.8
135.11719	6.4
139.11172	8.0
141.07018	6.2
142.07765	29.8
143.08551	52.3
143.10648	29.6
144.09349	6.8
145.06480	21.9
145.10097	55.4
147.08055	8.1
147.11571	19.5
149.09579	18.5
149.10725	4.8
155.08562	22.5
155.10580	8.3
156.09325	33.5
157.10126	56.9
158.10805	6.8
159.07974	9.2
159.11658	45.6
160.08847	35.3
161.09578	9.1
167.08514	8.1
167.10661	8.4
169.10114	42.6
170.10887	7.7
171.11615	25.0
173.09665	10.1
175.11128	11.8
179.08586	11.9
181.10030	20.9
181.12228	7.8
182.10825	9.5
183.11642	20.6
184.12418	7.2
185.11736	9.5
185.13208	8.9
188.57104	5.2
191.08409	5.4
193.10078	9.4
194.10858	10.2
195.11653	28.4
196.12511	7.0
197.13268	35.3
199.14767	7.3
203.14288	5.8
207.11707	6.3
209.13214	25.8
211.14861	8.3
215.14224	12.0
221.13171	5.8
221.15271	7.5
223.14708	8.0
233.13216	5.9
233.15309	24.6
235.14728	7.9
255.17410	10.7
256.63651	5.5
286.19250	7.2
289.18961	6.0
319.51260	5.4
469.84894	6.5
587.61102	6.0
599.35980	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	632.2336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.9
55.01859	11.6
56.24579	4.7
57.03421	9.7
59.51767	5.4
67.05488	7.3
69.03406	39.0
71.04977	7.7
73.02886	6.3
79.05474	6.6
81.03410	35.9
81.07040	8.4
85.02885	68.3
87.00809	31.0
91.05457	9.6
92.08605	6.2
93.06998	6.6
95.04942	7.3
97.02880	30.9
97.06500	8.6
99.04448	23.3
105.01836	20.2
107.04938	8.5
109.02842	33.8
115.34108	6.1
117.06985	6.2
119.08558	22.8
121.06504	5.6
123.04401	82.0
127.03899	28.7
131.04893	12.4
133.06462	8.3
135.04387	5.4
137.05936	28.9
139.03893	7.7
145.04970	5.1
145.06459	10.1
147.04378	29.5
147.56537	5.7
149.05914	33.4
151.07483	7.3
155.08507	6.5
158.36949	5.1
158.62666	4.9
159.02846	8.9
160.05205	5.5
161.05974	49.5
163.07498	6.9
165.09023	35.6
167.07053	5.7
173.05917	33.3
173.09628	7.8
175.07491	8.5
189.09032	11.4
190.78380	5.4
201.09102	100.0
213.19402	5.6
219.10240	5.4
229.12163	12.7
235.15651	6.4
239.10587	8.6
241.08528	6.6
257.11652	8.0
267.06589	7.4
269.08078	20.9
283.09610	11.3
285.10605	5.7
293.07898	7.9
294.79147	5.3
307.09290	6.2
311.12732	23.0
349.14429	27.1
367.15305	34.1
373.14551	7.9
391.15479	8.9
475.17175	5.7
517.07629	5.3
528.83679	5.3
601.78564	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	632.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.33420	0.1
53.03927	0.3
53.63822	0.1
55.01860	0.3
55.05506	0.2
61.02919	0.2
63.46238	0.1
64.50207	0.1
67.23027	0.1
69.03407	1.0
70.06564	0.2
77.03873	0.2
77.55280	0.1
79.05470	1.5
81.03392	0.6
81.07015	0.2
83.08591	0.2
85.02892	2.4
86.09693	0.2
91.05463	0.4
93.07022	0.3
93.84975	0.1
94.38696	0.1
95.04935	1.3
97.02866	0.5
97.40228	0.1
97.81746	0.1
103.05418	0.2
105.04521	0.3
105.06985	0.2
107.04935	64.2
108.05257	0.2
109.06501	0.4
121.06472	0.8
122.03627	0.3
123.04391	1.3
125.05973	3.4
125.09547	0.2
127.03900	0.2
131.04886	2.5
133.06458	0.3
135.05478	1.2
137.05951	100.0
138.06337	0.2
147.04393	0.6
149.05954	2.3
151.07491	0.6
151.11098	0.2
161.05901	1.5
167.06998	0.2
167.14212	0.2
168.91434	0.1
179.07008	1.1
189.08984	0.2
193.08530	0.2
195.08026	0.2
199.07501	0.2
240.07794	0.1
241.08551	0.3
250.14320	0.2
255.10112	4.1
273.11148	15.7
335.42133	0.1
387.04019	0.1
528.65839	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	632.3636
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13369	0.4
52.74856	0.4
53.03928	1.1
53.54567	0.4
55.01859	2.2
55.05505	14.4
57.03428	23.5
57.07063	1.1
61.02918	3.5
65.03916	1.0
66.60374	0.4
67.05491	48.8
67.09674	0.4
68.84763	0.4
69.03403	1.0
69.07055	16.7
69.11169	0.4
71.01339	5.1
71.04975	5.8
73.02898	0.9
79.05473	47.9
81.03401	6.8
81.07039	25.2
81.07529	0.7
83.04962	12.7
83.08601	3.8
85.02885	3.4
85.06524	3.9
91.03934	0.7
91.05463	19.2
93.07021	57.4
95.04948	6.2
95.08584	6.7
97.02876	2.0
97.06506	14.4
97.10146	14.0
99.04443	0.6
99.08083	2.4
105.07037	4.2
107.04926	1.7
107.08577	38.6
109.06509	1.7
109.10151	8.4
111.08067	2.5
117.06998	6.0
119.08537	9.0
121.06488	1.0
121.10128	8.7
123.11642	0.4
125.09624	2.1
127.03890	0.6
129.07024	0.6
133.10103	3.4
135.08073	1.1
135.11665	60.5
137.09648	3.7
143.08565	0.7
145.10083	11.2
147.08150	0.5
153.12732	2.3
163.11176	7.1
181.12180	10.1
199.13206	1.0
255.15852	53.5
301.99115	0.5
435.27325	100.0
436.27759	2.2
444.87543	0.5
569.73828	0.5
578.93884	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.2023
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45013	0.2
53.03943	0.2
54.56704	0.2
55.01844	0.3
57.03411	1.0
57.04889	0.2
58.71821	0.2
59.53585	0.2
61.02887	0.5
63.74208	0.2
67.01842	1.0
68.99768	0.5
69.03414	2.3
71.04961	1.3
79.05482	0.4
81.03397	1.0
85.02882	6.9
89.03888	0.4
93.06973	0.3
97.02862	2.3
107.04918	1.0
107.08565	0.4
109.02884	1.1
111.00770	1.6
111.04404	1.2
117.03362	1.4
121.06458	0.3
123.04402	2.8
127.03843	2.1
129.05515	0.2
129.49510	0.2
135.04373	5.1
136.95029	0.2
137.02278	0.2
137.05896	0.8
139.03917	1.7
145.02821	5.5
145.04897	0.4
151.03879	0.9
153.01796	61.5
159.04358	0.5
161.05931	0.4
163.03859	43.0
165.01797	0.3
171.02850	10.1
171.04279	0.5
176.48407	0.2
179.03343	4.1
183.48213	0.2
187.03871	1.3
191.03439	0.2
195.02896	1.6
196.47093	0.2
205.04967	1.2
217.32660	0.3
219.02789	0.3
223.05833	0.3
231.45340	0.3
247.06050	0.3
253.04950	0.4
261.03851	0.3
271.05954	1.3
289.06985	100.0
290.07291	1.4
295.44791	0.3
301.06802	0.4
303.05002	0.4
304.05228	0.4
331.07996	0.4
355.07910	0.5
451.12250	3.0
484.09158	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	630.4785
Annotation	Unknow
Peak:m/z	Relative Intensity
54.78937	3.8
57.07068	54.4
64.51939	5.1
66.66492	4.4
67.05509	19.3
69.07079	5.0
69.83611	3.9
71.08611	35.1
73.06522	7.1
73.13078	4.3
79.05452	10.7
81.07049	10.7
85.10179	22.0
87.04480	6.8
89.06013	100.0
91.05476	11.8
93.07033	25.5
95.08589	9.1
105.07009	12.2
107.08566	8.1
109.10159	10.6
119.08569	19.1
131.08566	4.5
133.08601	32.4
135.11722	7.0
136.96902	4.3
137.42775	4.3
144.21625	5.0
145.10066	6.3
173.13353	6.5
177.11224	10.6
221.34448	4.8
268.63910	5.0
613.44867	5.8
615.93610	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	628.4054
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41541	2.5
50.64075	2.6
53.03931	3.4
54.11032	2.7
54.81742	2.5
55.01850	13.4
55.05503	60.6
57.03416	17.8
60.58998	2.6
67.05493	69.8
69.03394	12.5
69.07046	27.2
71.04964	5.1
73.00237	2.9
79.05050	4.5
79.05470	73.7
80.36651	2.6
81.03403	52.9
81.06599	5.3
81.07038	100.0
83.04964	32.6
83.08614	34.5
85.02888	33.9
91.05460	61.7
93.07018	69.3
95.04946	46.8
95.08574	28.8
97.02953	2.7
97.06499	16.2
97.10142	28.7
105.06992	56.5
107.04929	20.0
107.08572	33.7
109.06490	18.1
109.10152	5.8
111.04395	20.1
111.08074	6.5
117.06955	19.2
119.08549	45.3
121.06452	6.1
121.10136	21.3
123.08045	11.9
125.09613	15.3
129.06964	18.2
131.08539	27.6
133.06458	4.2
133.10118	22.6
135.08031	4.4
135.11629	5.0
137.09576	5.4
142.07736	4.1
143.08487	5.4
145.10112	16.9
147.08003	20.5
147.11667	19.7
149.09578	5.5
155.08557	3.2
157.10106	18.1
159.11662	4.3
161.09578	5.1
161.13217	3.0
163.11159	19.7
171.11572	3.3
173.09625	4.0
175.11122	17.3
181.12161	4.0
185.80777	2.8
189.11128	13.7
193.12213	25.2
211.13220	32.7
227.12717	15.4
267.15848	20.1
273.18503	21.4
285.16840	37.4
291.19479	45.5
365.23059	19.8
383.24130	13.6
448.27423	3.3
465.29678	5.2
557.34302	12.5
575.35693	24.6
593.36145	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	628.3175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01864	0.8
55.05501	5.3
55.46238	0.4
56.73547	0.5
57.03429	8.7
57.07065	0.9
59.85390	0.3
61.02915	9.4
67.05491	25.5
69.03407	1.7
69.07053	9.5
71.04963	2.9
73.02898	4.6
79.05473	14.6
80.73035	0.4
81.03388	1.8
81.07037	37.8
83.04961	4.5
83.08604	8.5
85.02895	10.2
85.06520	2.2
86.09722	0.5
91.03939	6.9
91.05458	7.6
92.08679	0.5
93.07019	31.3
95.04935	2.1
95.08591	8.9
97.02862	5.4
97.06522	5.8
97.10155	0.7
99.04413	1.0
99.08089	2.1
105.06998	4.0
107.08575	17.2
107.83792	0.4
109.02839	0.7
109.06492	0.7
109.10147	1.6
111.08057	4.1
117.07001	4.7
119.08548	0.8
120.08107	0.7
121.06458	1.0
121.10106	10.9
123.11691	0.8
127.03875	1.6
129.61813	0.4
131.08548	4.9
133.10115	4.8
135.08055	0.9
135.11694	6.3
139.11121	0.9
145.04976	1.8
149.13235	23.1
151.11125	0.6
155.99388	0.4
159.11646	11.8
162.02826	0.4
163.06013	2.0
167.06924	0.5
177.12721	6.8
195.13727	7.1
213.14851	0.7
251.16298	0.5
269.17422	100.0
270.17731	0.9
340.56036	0.5
413.21692	0.5
431.22583	3.2
527.55817	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.3371
Annotation	Leucasperoside B
Peak:m/z	Relative Intensity
53.00290	1.1
53.03935	8.6
55.01855	5.9
55.05502	28.9
57.03427	31.8
57.07071	1.8
59.04970	1.0
65.03915	2.3
65.13346	0.8
67.05491	59.3
67.51610	0.9
69.03412	14.7
69.06712	1.0
69.07054	15.7
71.01325	2.1
71.04974	7.7
79.05471	51.7
81.03398	100.0
81.07039	42.0
81.07520	1.2
83.04963	32.0
83.08601	25.2
85.02889	22.5
85.06524	3.9
88.39342	0.9
91.05460	40.7
93.07021	55.8
95.04945	29.5
95.08581	14.8
97.02876	16.3
97.06512	14.4
97.10143	13.2
99.04414	4.5
99.08090	1.3
103.05444	1.4
105.07016	25.0
107.04948	7.1
107.08574	40.5
109.02871	8.6
109.06483	8.2
109.10129	8.7
111.04409	8.7
111.08067	11.0
112.08346	1.1
117.07014	5.8
119.08560	23.7
121.06489	5.3
121.10118	16.1
123.08038	1.7
123.11643	1.2
125.09605	4.0
127.03901	7.6
129.05440	1.9
129.06967	12.7
131.04884	1.3
131.08530	13.0
133.06474	1.9
133.10129	15.2
135.08051	1.3
135.11658	35.9
135.75180	1.0
137.05991	1.1
137.09592	1.2
142.07790	1.1
143.08528	2.0
145.10100	10.6
147.08046	4.6
147.11639	13.9
149.09578	7.5
151.07527	2.0
153.12709	2.3
157.10089	14.3
159.11664	1.1
163.11130	9.7
165.06863	0.9
165.12679	1.7
175.11151	15.3
181.12192	10.4
191.10675	0.9
193.12212	31.8
211.13246	33.6
227.12770	2.1
234.32138	1.0
249.14799	1.3
255.15823	36.6
267.15866	20.9
285.16815	7.4
300.92953	1.0
355.17578	2.0
399.19998	1.9
411.19778	1.1
421.26035	1.0
429.21243	8.6
429.26138	1.2
444.55051	1.0
447.27356	51.9
465.28348	38.6
466.28568	1.8
591.30908	1.2
609.32550	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.5493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.2
53.14790	1.8
55.05503	22.2
57.07066	3.2
67.05486	37.1
69.07056	32.0
70.23568	2.1
75.29887	2.4
79.05476	30.5
81.07037	100.0
83.08615	13.0
91.05448	21.7
93.07022	68.7
95.04959	2.6
95.08585	85.9
97.10141	3.1
105.07014	53.3
107.08581	66.5
109.10131	53.3
117.06981	4.8
119.08555	57.7
121.10113	59.0
123.08027	2.2
123.11684	25.3
125.09560	4.2
126.52027	2.0
131.08556	17.5
133.10101	32.6
135.11647	26.1
137.13240	5.1
143.08534	5.3
145.10115	24.1
147.11647	23.8
149.13235	26.1
157.10136	8.6
159.11653	23.8
161.13203	24.1
163.14769	11.8
171.11600	13.1
173.13177	20.2
175.14786	14.6
177.16345	4.2
185.13213	3.1
187.14772	12.4
189.16335	11.2
191.17908	2.9
197.13144	3.3
199.14809	3.8
201.16405	4.1
203.17931	8.8
213.16289	5.4
215.17966	7.8
217.19534	3.5
227.17979	3.1
229.19356	3.1
231.21202	4.1
239.17757	3.4
241.19479	4.3
255.21123	2.8
269.22565	3.1
297.25684	2.8
354.68173	2.5
587.52985	2.4
591.00281	2.3
609.53754	10.8
627.54858	43.9
651.51788	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
55.01867	0.3
57.03410	0.4
59.30304	0.2
62.42062	0.2
65.03928	2.0
67.05485	0.3
67.46928	0.2
69.03410	0.7
71.04973	0.4
73.65733	0.3
75.04449	0.3
76.56880	0.2
79.05467	2.5
81.03384	0.3
81.07025	1.4
85.02888	3.1
86.09742	0.3
87.35127	0.3
87.67750	0.3
91.05473	2.3
91.05941	0.3
93.03381	4.6
93.07034	0.3
94.04161	2.5
95.04935	0.4
95.08566	0.4
97.02897	0.5
97.06523	0.6
103.05449	0.5
105.07028	0.5
109.02870	0.3
111.04418	1.3
121.02847	5.0
121.10126	0.3
125.05967	3.8
131.04901	1.9
137.05940	1.2
139.03885	0.6
145.04887	0.4
151.07465	0.4
153.05443	100.0
163.07570	0.6
165.05481	0.3
167.06935	0.4
181.04912	0.4
191.41254	0.3
209.08011	0.4
238.46597	0.4
271.38821	0.3
303.12213	13.4
421.05234	0.4
481.07147	0.5
551.98938	0.3
607.31171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.228
Annotation	Salicifolioside A
Peak:m/z	Relative Intensity
53.03930	0.4
55.01867	0.3
57.03410	0.4
59.30304	0.2
62.42062	0.2
65.03928	2.0
67.05485	0.3
67.46928	0.2
69.03410	0.7
71.04973	0.4
73.65733	0.3
75.04449	0.3
76.56880	0.2
79.05467	2.5
81.03384	0.3
81.07025	1.4
85.02888	3.1
86.09742	0.3
87.35127	0.3
87.67750	0.3
91.05473	2.3
91.05941	0.3
93.03381	4.6
93.07034	0.3
94.04161	2.5
95.04935	0.4
95.08566	0.4
97.02897	0.5
97.06523	0.6
103.05449	0.5
105.07028	0.5
109.02870	0.3
111.04418	1.3
121.02847	5.0
121.10126	0.3
125.05967	3.8
131.04901	1.9
137.05940	1.2
139.03885	0.6
145.04887	0.4
151.07465	0.4
153.05443	100.0
163.07570	0.6
165.05481	0.3
167.06935	0.4
181.04912	0.4
191.41254	0.3
209.08011	0.4
238.46597	0.4
271.38821	0.3
303.12213	13.4
421.05234	0.4
481.07147	0.5
551.98938	0.3
607.31171	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.2393
Annotation	Unknow
Peak:m/z	Relative Intensity
70.96149	0.2
71.40329	0.2
85.02876	0.3
86.09687	0.5
87.11187	0.2
93.94588	0.2
97.02872	0.2
103.05458	0.2
106.06540	1.2
109.89884	0.2
115.05417	1.5
117.05746	0.8
120.08168	0.2
130.06494	5.5
131.04893	1.2
132.04425	2.8
132.08055	2.1
133.06487	0.5
134.05989	21.9
142.06499	0.4
146.06000	2.7
148.07529	3.3
151.03870	0.3
157.06326	0.4
157.07573	5.3
158.04675	0.5
158.05977	12.5
159.04546	0.2
159.06778	2.6
160.03909	0.7
160.07545	17.1
162.05466	73.6
163.05826	0.4
164.69727	0.2
167.06972	1.7
175.08630	10.0
176.07018	0.5
177.05399	0.3
186.05463	7.4
203.08142	4.7
204.06522	100.0
205.06844	0.8
221.09167	28.9
277.34207	0.2
408.86490	0.2
535.39581	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	627.1552
Annotation	Myricetin 3-neohesperidoside
Peak:m/z	Relative Intensity
53.03922	1.2
54.33594	0.2
55.01849	0.6
55.05487	0.4
55.76406	0.2
57.03181	0.3
57.03428	6.0
59.04984	0.4
61.02920	2.0
68.99768	0.6
69.03075	0.3
69.03415	5.9
71.04974	22.7
73.02879	1.2
75.04449	1.5
75.09341	0.2
81.03407	2.7
83.04959	0.5
85.02886	33.7
86.32059	0.2
87.04446	1.5
97.02877	4.5
99.04433	1.0
109.02860	2.4
111.00764	2.9
111.04437	0.6
114.37270	0.3
121.02847	0.4
127.03887	3.1
129.05441	2.5
133.89294	0.2
137.02325	2.2
139.03905	0.5
143.60782	0.2
145.04913	0.4
153.01805	11.0
153.03014	0.5
153.05469	0.3
165.01822	3.6
166.02589	0.3
177.05414	0.3
179.03374	2.1
183.02849	1.0
189.05446	1.3
190.88701	0.2
195.02856	0.6
217.04913	3.2
221.04405	0.3
227.03355	0.3
233.04402	0.3
235.05888	0.4
245.04373	4.9
255.02795	0.5
263.05518	0.5
273.03879	5.1
290.04184	1.6
291.04999	0.4
301.03333	1.6
303.04935	1.5
318.03473	0.3
318.49194	0.3
319.04410	100.0
320.04865	1.3
343.04419	0.3
361.05273	0.4
481.09634	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	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63402	0.1
53.03926	0.5
55.01856	0.4
56.36078	0.1
57.03433	0.9
59.78066	0.1
61.02692	0.1
61.02917	1.4
65.03928	0.1
68.99775	0.6
69.03419	3.1
70.06559	0.2
71.04968	0.5
73.02885	0.5
81.03392	1.5
83.01313	0.2
83.62139	0.1
85.02890	7.5
87.04488	0.1
91.03938	0.1
93.03355	0.2
95.04948	0.2
97.02876	2.5
98.97572	0.1
99.04416	0.2
107.08591	0.1
109.02867	1.5
111.00799	1.0
121.02872	1.0
123.04409	0.2
127.03901	1.5
137.02310	4.2
137.03239	0.1
137.05853	0.1
145.04926	0.5
149.02312	0.6
153.01802	4.8
155.04858	0.1
161.05963	0.4
163.03906	0.9
165.01794	2.5
166.02499	0.1
173.05975	0.4
177.05382	0.1
179.03368	0.2
181.48137	0.1
183.02881	1.0
183.04337	0.2
187.03806	0.1
189.56262	0.1
191.03419	0.2
195.02867	0.2
201.05434	1.5
205.04944	0.2
219.02940	0.2
219.06467	0.5
228.04097	0.1
229.04921	5.2
239.03545	0.2
247.05974	1.0
257.04404	4.1
274.04691	1.3
275.05402	0.2
285.03906	1.8
286.04239	0.1
303.04935	100.0
303.39465	0.1
304.05283	1.1
424.18332	0.1
465.10214	7.6
497.63904	0.1
498.90125	0.1
566.14563	0.1
632.48425	0.1
632.60175	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	625.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00281	3.5
55.05488	20.3
56.88499	3.7
59.38982	3.3
60.72702	3.8
64.76521	4.2
67.05482	39.8
69.07040	25.6
79.05456	27.8
81.07034	100.0
83.08612	6.9
91.05409	8.9
92.09366	7.5
92.63893	4.0
93.07021	59.7
95.04948	8.6
95.08580	65.3
97.06482	4.1
105.07009	61.0
107.08578	61.9
109.10145	49.8
119.08549	48.8
121.10110	41.1
123.11646	8.3
125.09659	5.1
131.08517	18.9
133.10098	24.2
135.11639	27.8
143.08504	7.3
145.10077	27.6
147.11610	31.0
149.13223	10.0
157.10048	10.6
159.11604	33.0
161.13261	17.0
171.11626	10.6
173.13232	8.1
175.14818	5.8
185.13142	9.2
187.14751	22.6
197.13313	5.7
201.16260	5.5
213.16377	5.3
227.17828	4.9
281.89120	4.5
516.68652	4.7
625.53345	42.6
626.83978	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	627.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
53.09489	0.1
53.25350	0.1
55.01863	0.7
57.03426	1.1
59.04990	0.1
61.02903	1.4
65.03925	0.2
67.01869	0.1
68.99763	0.6
69.03063	0.2
69.03413	3.1
70.06570	0.1
71.04974	0.4
73.02888	0.6
79.83287	0.1
81.03397	1.7
83.01312	0.1
85.02885	11.0
87.04436	0.2
91.03935	0.4
91.05418	0.1
93.03379	0.2
95.04938	0.4
97.02251	0.2
97.02864	3.6
99.04422	0.5
107.04889	0.1
109.02853	1.5
111.00782	1.3
121.02842	1.0
123.04400	0.4
127.03880	1.6
133.02840	0.1
135.04436	0.2
137.02306	3.9
145.02910	0.1
145.04929	1.3
146.87105	0.1
149.02324	0.5
151.03899	0.1
153.00546	0.2
153.01794	5.4
155.04832	0.3
161.05966	0.1
163.03833	0.7
163.06039	0.1
165.01785	2.6
166.02574	0.3
173.05969	0.5
177.05463	0.1
183.02855	1.2
183.04424	0.3
185.06023	0.1
187.03847	0.4
191.03383	0.2
195.02856	0.4
201.05421	2.1
205.04921	0.2
213.05379	0.1
215.03259	0.1
219.06499	0.4
228.04263	0.1
229.04909	6.0
239.03380	0.1
247.05896	1.0
257.04379	3.6
274.04675	0.8
275.05164	0.1
275.18768	0.1
285.03827	1.7
303.04913	100.0
304.05219	1.3
319.04462	0.2
345.05600	0.1
465.10214	1.0
486.14136	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	625.5337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.1
55.05502	21.0
55.05716	1.8
57.07060	2.4
65.03918	2.6
67.05486	34.8
69.07049	29.4
72.19084	2.0
79.05469	36.0
81.07037	100.0
83.04939	2.5
83.08590	10.6
91.05395	30.1
93.07020	64.5
95.04916	4.6
95.08582	81.6
97.06496	2.4
97.10152	5.0
97.80174	2.2
105.07012	57.6
105.10341	2.2
107.08565	70.9
109.06489	4.3
109.10130	46.7
111.08047	3.4
117.06976	5.2
119.08556	64.5
121.10120	42.9
123.11668	23.5
129.06998	3.1
130.07747	2.7
131.08528	26.0
133.10086	36.4
135.11635	30.9
137.13216	2.4
142.07787	3.5
143.08539	14.5
145.10063	32.4
147.11667	30.6
149.09520	2.8
149.13225	18.8
155.08447	3.8
157.10109	22.8
159.11627	30.7
161.13165	23.9
163.14806	11.7
169.10092	9.3
171.11621	23.8
173.13257	19.9
175.14755	12.2
177.16347	2.9
183.11574	4.5
185.13252	12.4
187.14787	14.8
189.16333	9.5
191.17867	2.7
197.13219	4.9
199.14825	10.9
201.16321	9.5
203.17896	3.5
211.14746	4.2
213.16353	8.9
215.17946	3.3
217.19620	2.6
225.04340	2.5
225.16397	3.3
227.18004	2.6
237.16360	2.8
241.19295	2.6
253.19586	3.8
255.21112	2.7
269.22516	3.6
281.22455	2.4
299.05746	2.1
311.27960	2.7
607.52289	12.7
625.53186	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	625.176
Annotation	isorhamnetin-3-O-rutinoside
Peak:m/z	Relative Intensity
53.03920	0.2
57.03423	2.7
61.02906	0.6
67.17641	0.2
68.78493	0.2
69.03412	1.4
71.04977	11.6
73.02891	0.3
75.04446	0.3
76.68471	0.2
78.02200	0.3
80.68555	0.3
81.03378	0.5
83.04961	0.4
85.02890	16.1
91.03968	0.3
92.02587	0.3
93.03388	1.0
97.02854	1.7
107.13749	0.2
109.02873	0.3
121.02831	1.0
121.35799	0.3
127.03881	0.5
129.05467	1.7
139.03873	1.0
145.04950	0.4
147.06415	0.3
151.03871	0.5
153.01801	7.3
165.01807	1.2
179.14636	0.3
200.82233	0.3
201.05472	0.3
203.03281	0.3
217.05020	0.5
218.05679	0.6
228.04079	1.6
229.04883	4.7
245.04477	0.5
246.05190	1.7
257.04410	3.5
260.03140	0.5
273.03885	1.8
274.04660	5.4
284.03107	0.4
285.03897	4.9
302.04150	17.5
317.06497	100.0
426.34811	0.3
479.12256	0.3
488.58102	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.19
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.9
57.03426	1.4
57.38095	0.8
60.64576	0.9
61.02908	1.9
69.03417	4.4
69.07079	1.2
76.55967	0.8
81.03403	1.9
83.04000	0.7
85.02886	14.3
85.36945	0.7
97.02859	6.8
99.04440	1.1
109.02856	1.3
111.38080	0.8
115.44553	0.8
119.08601	0.9
127.03921	1.7
145.04962	1.1
161.02072	13.5
162.05467	3.6
185.04164	21.7
203.05193	7.9
216.07108	1.9
235.04088	0.8
242.08478	0.9
254.08774	1.1
258.08313	1.1
265.14377	3.3
282.07986	3.1
294.95386	1.0
304.68744	0.9
307.60226	0.9
323.07324	100.0
324.07385	2.8
324.10526	44.5
342.10162	1.5
378.06552	0.9
462.12231	5.1
476.20535	1.0
596.42407	0.9
616.23792	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	624.3588
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	9.5
55.05237	2.6
55.05506	78.6
57.03430	31.2
61.02911	3.8
67.05490	32.4
69.03413	10.9
69.07050	19.1
71.04973	8.6
71.40596	1.7
72.16315	1.6
79.05472	56.0
81.03400	86.1
81.03873	3.6
81.07040	49.4
81.07481	3.4
83.04965	22.8
83.08598	58.4
85.02894	39.1
85.06529	2.5
91.05461	34.2
91.52590	1.5
93.07019	22.6
95.04935	31.7
95.08581	14.6
97.02869	10.7
97.06492	2.1
97.10143	56.6
102.19830	1.7
105.07023	27.6
107.04942	8.4
107.08575	28.0
109.02857	2.0
109.06513	7.8
109.10141	3.3
110.00891	1.7
111.04461	2.9
111.08036	17.5
113.05975	2.4
116.47078	1.9
117.07009	2.8
119.08560	24.1
121.10118	16.3
123.04388	2.8
125.09600	31.1
129.06975	18.7
131.08524	20.2
133.06445	2.1
133.10141	19.4
143.10680	3.0
147.08057	2.7
147.11676	22.1
148.11217	3.4
149.09578	8.7
157.10133	19.7
165.12657	3.0
173.09404	1.8
175.11124	23.5
193.12213	86.0
199.13274	11.4
211.13254	36.4
217.12170	2.3
217.14311	65.5
267.15875	38.1
281.50699	1.9
285.10071	7.7
285.16891	41.5
335.22101	4.4
335.37115	2.0
376.29437	2.1
409.25763	75.8
427.26807	100.0
428.27304	2.1
538.31616	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	623.2861
Annotation	Unknow
Peak:m/z	Relative Intensity
61.81420	4.4
68.22395	4.7
81.07024	23.2
91.05466	6.0
95.08572	6.8
105.07007	7.3
107.08564	9.5
109.10126	8.7
119.08556	5.8
121.10065	7.3
128.68997	5.6
133.10136	8.7
145.10106	6.6
164.79384	6.1
183.51685	5.9
217.83731	6.4
407.22101	9.7
418.04724	6.1
421.23859	11.7
429.20499	23.3
459.21896	8.2
535.26587	8.4
545.25421	99.5
573.24738	12.7
605.27271	76.0
623.28656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	623.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82165	1.6
52.90858	1.6
53.00313	1.9
53.03937	13.4
53.11514	1.4
55.01858	9.0
55.05502	39.7
55.88387	1.6
56.51631	1.7
57.03430	17.1
57.07064	1.9
61.02922	2.7
65.63351	1.9
67.05495	65.5
69.03417	25.1
69.07049	18.7
71.04976	9.6
73.02905	4.4
73.06613	1.9
79.05476	65.7
81.03404	100.0
81.07043	79.5
83.04964	29.5
83.08602	25.6
85.02890	21.6
86.04733	1.7
91.05460	58.5
93.07023	49.6
95.04960	34.5
95.08593	23.9
97.02863	17.9
97.06519	12.7
97.10156	9.9
99.04427	3.0
99.08057	2.4
105.07011	46.0
107.04929	21.9
107.08580	33.4
109.02859	16.3
109.06499	13.0
109.10143	8.8
111.04437	12.1
111.08048	7.4
117.07000	14.3
119.04934	3.1
119.08547	27.5
121.06496	9.4
121.10138	18.5
123.04388	4.5
123.08054	7.2
123.11707	3.9
125.09565	3.5
127.03870	4.5
128.06256	2.2
129.06972	16.4
131.04909	4.5
131.08565	23.0
133.06468	3.9
133.10106	22.3
135.08040	7.3
135.11694	3.0
137.06032	2.8
137.09639	2.6
142.07779	2.8
143.08543	4.1
145.06487	2.8
145.10115	4.3
147.08063	3.5
147.11667	14.7
149.05948	2.1
149.09587	3.8
149.13293	9.8
155.08653	3.1
157.10080	10.1
159.11676	11.6
163.11119	2.1
165.09126	4.6
165.12827	3.0
169.90550	2.0
171.11771	2.0
175.11179	4.7
177.12651	3.4
183.11678	2.8
193.12239	25.2
195.13785	2.6
211.13249	20.5
213.14885	2.2
227.12709	2.7
255.13957	1.9
267.15930	13.1
269.17426	12.7
285.16956	3.3
301.14255	2.7
309.17047	2.0
321.17133	3.0
395.20618	4.0
443.27637	2.2
461.28754	30.8
479.29877	9.4
485.28058	1.9
503.29617	2.4
545.30841	4.5
569.31091	3.3
579.86444	2.1
587.32092	7.8
605.33020	13.9
623.34204	64.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.2699
Annotation	Methyl pheophorbide b
Peak:m/z	Relative Intensity
66.26018	0.7
67.54800	0.9
70.57896	0.8
72.62040	0.8
77.43673	0.9
80.68919	0.9
81.07044	1.7
83.56064	0.8
87.77184	1.0
93.07032	1.2
93.71313	1.1
105.07018	1.7
107.08584	1.0
121.10101	1.3
127.53202	0.9
293.47720	0.9
316.98187	0.9
388.16605	1.5
389.17685	1.5
391.18915	1.0
403.19089	5.0
404.19885	2.0
405.20627	3.9
415.18976	1.3
417.16449	2.2
417.20908	5.2
419.22171	9.0
431.18033	7.2
432.19421	4.3
433.20062	3.5
445.20169	6.7
446.20822	8.3
447.21628	13.4
459.17538	1.4
473.23169	1.3
474.20547	7.4
475.21216	9.2
487.21344	3.7
501.22635	1.5
506.23273	1.0
533.25470	16.8
561.24799	27.2
593.27289	3.9
621.26947	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	621.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	1.3
51.58980	1.1
51.94443	1.1
53.03931	9.8
55.01858	10.5
55.05262	1.7
55.05501	27.4
57.03424	15.1
59.04994	1.4
65.03932	1.7
67.05142	1.9
67.05488	41.0
69.03396	15.7
69.07049	13.1
70.23742	1.1
71.04970	7.7
73.02867	1.9
76.55511	1.3
79.05466	46.8
80.25312	1.1
81.03391	100.0
81.07030	42.5
83.04955	19.6
83.08589	25.0
85.02884	24.0
91.05453	52.6
92.08662	3.2
93.07011	31.5
95.04333	1.4
95.04946	40.4
95.08575	20.3
97.02867	13.6
97.06486	6.0
97.10153	10.1
99.04431	2.1
103.05418	3.0
105.06998	41.1
107.04920	17.6
107.08567	15.4
109.02872	14.4
109.06472	8.1
109.10168	9.9
111.04421	9.1
111.08050	7.0
113.05975	1.7
115.05421	5.3
117.06989	10.6
119.04900	5.3
119.08550	29.7
121.06468	9.1
121.10092	12.6
123.04376	7.9
123.08022	2.9
123.11614	2.6
125.02326	2.7
125.09593	6.6
127.03857	2.6
128.06209	2.7
129.06964	17.0
130.07767	1.5
131.04880	8.7
131.08534	17.4
133.06488	10.5
133.10094	14.0
135.08015	3.1
135.11658	5.0
137.05946	2.6
137.09633	3.1
141.06970	2.6
142.07726	2.6
143.08524	7.7
145.06433	7.2
145.10083	8.1
147.04391	6.4
147.08032	7.8
147.11650	17.4
149.05907	5.3
149.09604	8.9
155.08568	3.2
157.06448	5.1
157.10127	12.5
159.08000	2.8
161.05968	5.1
163.11115	10.8
165.06914	1.9
165.09021	9.6
165.12650	5.3
167.08537	1.5
169.10083	1.5
171.08041	2.8
171.11618	4.9
173.04416	2.3
173.05844	2.9
173.09550	2.2
174.06821	1.5
175.07407	2.3
175.11095	11.8
181.10112	2.2
181.12115	1.3
183.11563	2.2
185.09631	1.5
185.13213	1.4
187.07538	1.4
187.11072	1.8
189.05362	2.4
189.11162	1.9
189.12747	1.7
193.10455	2.2
193.12175	26.4
199.11243	1.6
203.66220	1.3
205.12183	1.8
211.13211	20.7
245.15187	1.6
247.39597	1.5
259.13354	2.2
267.15884	17.4
273.14801	9.1
277.14212	1.6
283.12991	1.5
285.10190	2.1
285.17023	9.2
289.14182	1.8
291.15945	2.0
301.14240	13.0
319.15216	6.0
337.16467	2.0
345.73129	1.5
375.17947	1.9
393.18784	2.7
459.27243	8.3
477.28210	8.6
567.28992	3.1
573.29803	2.0
585.30457	14.5
603.31366	16.7
604.99316	1.6
621.32568	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	620.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.7
57.03427	0.6
66.29550	0.3
67.05506	4.1
71.62876	0.4
79.05462	1.8
81.03376	0.6
81.07047	3.2
83.04950	0.6
91.05463	1.9
93.07013	1.9
94.04160	0.8
94.16441	0.4
95.04992	1.4
95.08569	0.4
105.07007	0.7
107.04943	18.7
107.08572	0.7
109.06522	0.9
109.10133	3.7
111.04450	0.7
119.04959	1.3
119.08534	1.4
121.06412	0.5
122.03618	4.5
131.04861	0.4
131.08554	0.5
133.06491	0.6
133.10150	0.4
135.04410	0.9
137.05957	100.0
138.06184	0.5
139.03889	14.0
147.04398	3.0
150.06735	0.8
151.07472	1.9
155.03244	0.4
161.05962	1.6
163.07501	2.9
165.05434	1.5
167.03395	1.9
173.11714	0.5
178.02588	0.4
185.04433	0.5
193.04936	6.3
229.14328	1.7
248.58495	0.4
269.11646	8.3
285.07526	0.9
289.07007	2.6
317.10141	20.2
423.27243	3.6
481.25903	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	620.2652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
57.03420	0.9
60.18509	0.6
61.02912	3.3
65.03924	0.7
67.05489	16.5
69.03062	1.0
69.03417	12.5
69.07053	18.6
70.06586	1.3
71.04985	1.0
73.12424	0.7
81.03407	4.2
84.00514	0.7
84.08105	0.7
85.02885	36.9
94.06551	0.8
95.04936	42.7
97.02872	26.6
99.04429	1.2
103.03925	1.1
109.02869	5.7
112.07585	31.7
112.08310	1.5
113.05978	2.7
121.02817	13.6
122.03199	5.4
122.06035	1.3
123.04391	1.2
124.07585	1.0
127.03891	6.7
133.92937	0.8
136.07544	1.1
139.03891	17.5
140.04231	1.7
140.07040	100.0
141.07425	1.7
145.04967	4.1
154.08563	6.5
161.05814	0.9
178.08620	3.1
182.08086	48.5
206.01929	0.8
206.08099	12.9
218.08145	1.2
223.04242	0.8
248.09097	7.6
284.11047	1.8
302.12283	55.3
303.12723	1.7
324.10538	4.0
331.68762	1.0
428.91711	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	619.234
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01857	0.5
55.77462	0.6
57.03424	0.9
61.02911	4.2
67.05511	4.8
69.03420	7.6
69.07060	6.0
70.06575	1.4
73.02903	0.9
81.03405	3.6
85.02892	26.0
91.03929	0.7
95.04936	12.8
97.02879	11.8
99.04427	0.8
103.03955	0.6
109.02862	2.8
112.07593	13.0
113.06012	1.2
121.02843	93.3
122.03200	0.7
127.03906	4.1
139.03883	100.0
140.04242	3.5
140.07048	32.6
145.04951	3.4
146.11205	0.6
154.08621	1.2
158.08197	0.7
179.03285	0.6
180.08600	1.1
182.08098	14.9
206.08157	3.5
220.23344	0.6
220.67422	0.6
221.97781	0.7
248.09254	1.4
274.27014	0.7
302.12296	22.3
361.01187	0.8
493.04739	0.6
547.18872	0.7
548.52734	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90226	1.5
53.03942	2.6
54.20723	1.6
54.81623	1.6
55.01879	2.0
55.05505	37.0
57.07065	15.4
59.04992	2.4
60.50422	1.7
62.66094	1.9
63.03598	1.6
66.95457	1.5
67.05499	17.5
69.03410	11.4
69.07047	10.6
71.04963	4.7
79.05471	25.0
81.07038	36.7
83.04956	10.2
83.08602	38.2
85.06535	7.7
87.04446	11.8
91.05451	34.2
92.06232	1.9
93.07021	49.2
95.04929	21.2
95.08585	23.9
97.06510	9.6
103.05493	2.5
105.07007	60.8
105.07669	3.3
107.08564	43.7
109.06509	17.7
109.10137	10.8
117.07007	12.1
119.08553	60.1
121.06496	8.8
121.10140	26.4
123.08067	22.8
125.06039	3.1
125.09582	7.6
128.06216	8.1
129.06992	13.5
130.07811	2.8
131.08545	38.8
132.09306	2.6
133.06487	4.8
133.10107	34.1
135.08022	16.9
135.11635	4.7
137.09615	4.4
139.11195	4.0
141.06999	4.4
142.07753	15.6
143.08536	30.2
144.09331	11.4
145.06442	3.3
145.10101	59.1
147.08020	21.2
147.11693	4.8
149.09570	11.1
151.07576	12.5
155.08566	10.5
156.09308	15.6
157.10117	46.8
158.10814	4.2
159.08073	9.2
159.11659	22.1
160.08847	10.4
161.09601	12.3
161.13268	3.0
163.11169	10.4
165.09070	23.1
167.08575	8.7
168.09366	3.2
169.10066	18.9
170.10890	3.7
171.11597	16.8
172.12350	4.2
173.09630	7.0
173.13255	11.6
175.11186	12.8
175.14729	2.3
179.08467	2.7
179.14259	2.6
180.09395	2.2
181.10101	10.5
181.12187	11.6
182.10901	7.9
183.11697	18.6
185.09659	2.5
185.13264	12.8
187.11172	4.1
189.12767	8.3
190.13481	3.2
193.10129	2.2
193.12242	3.5
194.10898	2.1
195.11642	15.5
197.13287	13.1
199.11134	2.5
199.14835	4.0
201.12769	3.1
203.14236	13.6
206.10849	2.4
207.11685	3.3
207.13683	3.8
208.14604	7.6
209.13185	9.1
210.13902	2.5
211.11234	2.0
211.14868	7.6
219.13818	3.0
221.13281	3.9
221.15344	27.5
223.14781	4.1
225.12790	2.1
225.14745	4.3
227.17888	2.2
233.13243	2.1
233.15366	10.5
234.16110	4.0
237.12666	3.1
237.16411	4.3
243.13744	2.0
246.40926	1.9
247.16853	7.7
269.19049	1.9
273.18454	3.0
287.20032	30.2
299.20032	4.2
303.19534	2.9
325.21451	4.4
337.21628	4.6
352.23907	46.1
365.24670	9.1
395.26035	3.1
472.31729	3.3
500.45868	1.9
525.35620	8.1
538.28265	3.7
538.36389	100.0
618.41882	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	618.4274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91586	6.7
55.05494	52.3
61.25617	6.2
67.05487	46.5
68.43073	6.5
69.07062	12.5
69.31763	7.0
79.05467	51.2
81.07039	50.6
83.04926	10.5
83.08593	50.2
85.06520	7.3
91.05450	62.0
92.09934	7.8
93.07020	83.9
95.04940	32.2
95.08582	34.6
97.06549	9.4
98.71372	7.4
105.07014	100.0
107.07967	7.9
107.08548	71.7
109.06503	17.3
109.10139	15.7
117.06990	13.4
119.08553	86.4
121.06540	10.5
121.10117	49.7
123.07996	17.3
125.09603	9.4
128.06197	14.8
129.06966	8.7
131.08522	44.6
133.10097	52.2
135.08044	11.2
141.06866	9.9
142.07803	36.7
143.08551	35.9
144.09286	10.0
145.10083	66.2
147.11668	14.8
153.05501	9.8
155.08566	19.1
156.09398	12.9
157.10110	75.3
159.07959	9.2
159.11687	38.8
161.09634	15.1
167.08533	11.3
167.10747	8.0
168.09332	8.0
169.10115	34.7
171.11653	15.7
173.09639	10.9
181.10110	12.5
182.10822	10.9
183.11674	17.2
184.12408	7.9
185.13254	7.2
187.98393	7.6
193.41783	7.3
195.11783	13.6
196.12421	8.0
197.13272	35.6
207.11699	9.3
209.13211	17.0
211.14781	12.8
223.14705	10.1
233.13226	10.0
255.17354	11.2
546.61652	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	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.9
54.81152	2.6
55.01869	3.6
55.05502	52.4
57.07051	4.8
59.67514	2.3
65.03931	3.8
67.05492	26.0
68.66874	2.3
69.03414	6.4
69.07040	21.3
71.04968	4.9
75.22655	3.1
79.05475	37.7
81.07041	43.7
83.04960	15.4
83.08603	47.0
85.06528	5.6
86.28092	2.5
91.05457	52.2
93.07022	61.9
95.04931	29.0
95.08567	22.8
97.06494	18.6
104.10714	5.7
105.07008	100.0
107.04922	3.0
107.08577	52.9
109.06512	18.2
109.10080	19.9
113.09631	5.3
115.05428	4.3
116.06171	2.8
117.06991	23.1
118.07792	3.3
119.08561	77.2
119.09383	4.2
121.06490	16.9
121.10110	40.9
123.08061	15.9
123.11669	3.0
125.06006	3.5
125.09601	7.0
128.06219	13.4
129.06989	26.6
130.07748	6.7
131.08533	52.6
133.10117	43.9
135.08049	11.0
135.11679	4.8
137.09669	2.9
139.11165	6.1
141.06950	6.5
142.07762	32.5
143.08530	42.7
144.09326	5.5
145.10094	65.1
147.08043	10.9
147.11700	13.1
149.09616	12.6
151.11104	3.2
155.08525	21.2
156.09364	19.9
157.10086	51.3
158.10890	3.7
159.08035	15.6
159.11679	32.2
160.08838	6.1
161.09607	13.2
163.11115	3.1
165.06984	5.4
167.08592	11.9
167.10669	12.6
168.09218	3.3
169.10063	35.2
170.10835	5.7
171.11642	26.4
173.09570	13.8
173.13315	13.7
175.11179	5.2
179.08492	6.8
181.10097	16.0
181.12238	5.2
182.10913	12.1
183.11639	24.8
184.12462	4.0
185.13220	10.2
187.11116	4.5
187.14769	5.8
190.12123	3.6
192.09433	4.2
193.10109	14.7
194.10828	4.0
195.11673	25.4
196.12379	5.6
197.13193	30.4
198.14024	2.7
199.14790	5.5
203.14288	3.5
205.10143	4.1
206.10880	6.4
207.11626	17.2
208.12512	6.4
209.13281	19.9
211.11201	4.0
211.14844	13.5
213.12775	5.6
215.14355	6.4
216.45024	3.3
217.10066	4.3
220.12578	3.7
221.13376	8.0
221.15263	6.1
222.13806	3.7
223.14687	9.9
233.13202	5.4
233.15324	16.4
235.14726	5.6
237.16328	4.0
247.14745	4.4
247.23260	3.4
249.16441	4.2
255.17427	18.2
259.14752	4.0
261.16403	3.3
270.19708	3.4
337.25269	5.4
349.24768	3.1
383.25803	10.9
501.97964	3.2
618.35065	3.4
618.43274	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	618.427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	9.9
53.41904	6.3
55.05503	56.4
57.07076	11.5
67.05507	35.9
68.52940	10.7
69.07055	12.8
79.05466	40.6
81.07034	35.5
83.04956	13.1
83.08585	35.1
91.05471	50.4
93.07018	68.6
95.04971	35.3
95.08593	36.0
102.72390	9.9
105.06998	100.0
107.08561	69.0
109.10130	12.3
117.06989	17.9
119.08579	73.0
121.10127	45.4
123.07990	12.0
129.06975	12.4
130.07774	12.9
131.08521	33.2
133.10083	42.1
135.08020	12.8
135.11725	9.1
142.07780	12.8
143.08530	47.1
144.09325	10.6
145.10100	67.7
155.08566	15.7
156.09314	32.7
157.10144	49.4
159.08018	11.5
160.08844	10.9
167.10645	12.0
169.10136	20.1
171.11717	15.0
183.11736	11.2
193.10054	13.8
195.11641	17.6
197.13235	20.4
209.13231	17.7
233.15277	42.7
255.17520	10.6
328.79114	10.4
341.90576	8.3
342.03845	9.2
345.02063	8.7
345.61584	9.7
429.73080	9.4
622.34192	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	618.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48946	2.1
53.03927	5.0
54.81680	2.5
55.05503	36.8
56.16158	2.4
57.07061	11.6
63.83563	2.4
67.05488	30.4
69.03403	6.0
69.07051	10.5
71.04966	4.2
76.50975	2.6
76.53658	2.4
79.05470	30.1
81.07037	54.2
83.04936	10.8
83.08603	42.7
85.06518	13.2
91.05462	46.4
93.07021	59.0
95.04951	24.7
95.08581	27.8
97.06493	16.9
99.04442	5.8
103.05413	2.7
105.07011	86.0
105.07661	4.9
107.04983	3.6
107.08568	57.2
108.36780	2.5
109.06497	19.3
109.10125	14.9
111.08073	4.4
113.09650	3.1
115.05426	3.7
117.07008	21.7
119.08553	73.8
121.06487	10.9
121.09381	3.2
121.10105	28.3
123.08057	24.4
123.11699	4.5
125.05961	3.0
125.09636	11.0
128.06204	14.7
129.06979	17.5
130.07790	5.9
131.08531	51.0
133.10100	38.2
135.08049	14.2
135.11697	5.2
137.09673	9.6
139.11128	5.4
141.06900	4.0
142.07747	17.8
143.08543	41.9
144.09346	13.6
145.06503	5.4
145.10103	69.0
146.10690	2.8
147.08083	24.3
147.11711	12.9
149.09610	13.6
151.07547	6.8
151.11107	3.7
153.09161	2.7
155.08568	13.0
155.10542	3.2
156.09300	20.4
157.10109	49.8
158.00874	2.6
158.10803	6.2
159.08067	4.9
159.11647	37.4
160.08800	14.7
161.09613	11.9
161.13187	3.3
163.11101	5.0
165.06924	4.0
165.09097	25.5
167.08560	4.1
167.10609	3.5
169.10028	19.7
170.10832	3.9
171.11642	29.3
173.09564	5.4
173.13213	13.6
175.11177	17.1
177.08971	4.1
181.10144	6.6
181.12202	6.1
182.10869	4.9
183.11662	18.3
183.13808	4.1
185.09642	4.4
185.13197	14.4
187.11218	6.5
187.14841	4.5
189.12750	6.1
193.10095	11.5
193.12189	10.7
194.10878	4.9
195.11678	16.3
197.09657	2.7
197.13208	17.3
201.12737	5.3
203.14320	13.4
207.11749	5.5
207.13853	6.7
208.12538	2.9
208.14519	5.0
209.13232	12.9
211.14787	10.3
213.12715	4.7
221.13298	5.5
221.15331	39.3
223.14731	4.8
225.14658	3.9
225.16510	5.4
227.14169	3.4
231.13841	3.7
233.15309	16.3
234.16029	11.5
247.16910	10.3
265.47729	3.5
267.17358	2.9
271.17001	4.4
286.19220	5.0
287.19962	37.2
299.19977	5.6
325.21521	10.6
343.40189	3.2
352.23914	44.1
353.42972	2.9
365.24649	6.5
367.26678	3.5
395.25775	3.0
472.31870	4.3
525.35791	9.2
538.36365	100.0
618.41901	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	618.4276
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11822	1.4
53.03927	3.1
54.81468	2.2
55.05504	38.4
57.07064	17.6
65.82341	1.8
67.05484	23.0
69.03405	13.0
69.07050	13.5
70.65134	1.8
71.04985	4.7
79.05460	30.3
81.07033	46.1
83.04959	8.5
83.08605	41.8
85.06532	7.1
87.04446	33.4
89.06010	1.8
91.05460	41.9
93.07024	61.3
95.04934	21.2
95.08591	30.9
97.06535	16.2
99.04419	2.9
103.05359	3.3
105.07012	96.9
107.04926	3.7
107.08576	48.4
109.06520	19.1
109.10132	15.0
111.04436	2.5
111.08060	4.2
113.09619	2.5
117.07003	23.8
119.08560	72.0
120.09315	2.6
121.06489	9.1
121.10131	34.5
123.08052	26.1
123.11678	3.8
125.05985	3.1
125.09618	9.5
128.06200	4.4
129.06995	25.8
130.07755	10.6
131.08534	42.5
132.09332	2.6
133.06429	2.6
133.10100	46.7
134.10893	2.2
135.08031	21.6
135.11676	8.2
137.09592	12.1
139.11160	8.6
141.06927	7.1
142.07784	20.7
143.08545	40.6
144.09308	11.4
145.06529	4.2
145.10103	66.9
147.08043	20.9
147.11647	12.9
149.09598	11.6
151.07518	12.4
151.11237	2.3
153.09036	2.4
154.07698	1.9
155.08578	14.9
156.09296	17.4
157.10098	56.3
158.10881	10.5
159.08055	10.7
159.11678	33.9
160.08806	12.7
161.09618	13.1
161.13206	3.7
163.11179	13.3
165.06967	3.5
165.09103	36.3
168.09363	2.6
169.10060	22.4
170.10872	7.4
171.11597	21.1
172.08830	2.6
172.12383	3.4
173.09572	4.2
173.13200	13.2
174.10428	2.3
174.33589	2.0
175.11169	15.6
179.08514	3.1
179.14299	3.4
180.09262	2.9
181.10075	12.9
181.12189	10.4
182.10905	8.2
183.11668	20.5
184.12358	1.9
185.09573	3.2
185.13219	15.9
187.11134	8.4
187.14763	2.8
189.12726	9.9
190.13475	8.9
191.14381	3.5
193.10077	8.4
193.12187	7.9
194.10898	8.0
195.11681	14.6
197.13141	16.7
198.14290	1.9
199.11189	9.0
199.14861	3.8
201.12718	7.0
201.40205	1.9
203.14360	15.8
207.11649	8.7
207.13799	10.4
208.14478	7.3
209.09753	2.0
209.13225	11.9
211.14865	7.4
213.12781	9.0
215.14284	2.6
219.11763	2.2
219.13722	4.3
221.13255	6.5
221.15260	44.0
223.11191	2.7
223.14661	2.4
225.12805	3.4
225.14809	7.5
225.16631	2.6
227.14299	2.7
229.15707	2.4
231.13783	3.6
233.15370	8.6
234.16058	9.6
237.16455	3.2
243.13899	2.3
247.16904	7.6
259.17068	2.1
269.18942	3.1
271.16812	3.4
273.18417	2.1
286.19257	8.0
287.17700	2.2
287.20081	31.6
288.54120	2.2
299.20074	11.6
306.42050	2.3
325.21634	8.2
337.21411	3.1
339.23291	4.4
352.23926	56.3
365.24698	10.1
367.25879	2.3
395.25629	7.3
467.87000	2.1
472.31555	8.0
503.58493	2.0
525.35480	10.3
538.36462	100.0
618.42792	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	618.4273
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81512	4.9
55.05500	36.4
57.07058	26.4
59.84895	5.8
64.33219	6.1
67.05487	39.2
69.07052	8.1
71.04967	12.5
79.05479	31.7
80.74258	5.5
81.07059	46.7
83.04945	5.6
83.08601	36.4
87.04455	76.5
91.05454	42.5
93.07039	64.6
95.04948	26.8
95.08591	25.9
97.06545	9.8
105.07029	75.9
107.08575	39.4
109.06474	9.3
109.10142	29.4
111.08070	8.5
117.07005	12.7
117.74127	6.0
119.08591	73.3
121.06498	12.7
121.10120	29.1
123.08083	13.2
129.06970	26.9
131.08533	40.8
133.10124	35.1
135.08054	25.9
135.11617	6.5
137.09583	11.3
142.07690	9.5
143.08542	40.6
144.44899	7.0
145.10103	66.4
147.08072	30.6
147.11687	10.0
149.09627	12.4
151.07504	7.2
156.09351	6.8
157.10091	45.0
159.11661	29.4
160.08804	8.2
161.09618	9.1
161.13240	6.5
163.11137	7.5
165.09106	30.0
169.10049	14.3
171.11653	31.8
172.12476	7.5
173.09422	6.8
173.13292	9.2
175.11189	13.7
181.10080	8.3
183.11617	25.2
187.11226	10.6
193.10130	8.1
194.10754	7.6
195.11644	11.2
197.13277	8.9
199.11102	7.6
203.14227	7.0
207.11665	7.5
213.12665	12.2
221.15338	37.6
233.15440	7.8
247.16933	8.4
287.20029	39.9
325.21579	6.3
352.23923	58.9
388.06049	6.4
504.12234	6.2
523.32770	7.8
525.36237	9.1
538.36438	100.0
578.47485	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	617.3657
Annotation	Amphidinolide F
Peak:m/z	Relative Intensity
51.16119	0.9
54.17389	0.9
55.01869	1.1
59.13942	1.1
67.05490	4.9
69.07055	1.3
79.05486	5.1
81.07042	4.5
83.04975	1.3
85.02885	1.5
89.11195	1.3
91.05470	2.5
93.07028	1.6
95.04951	1.9
95.08597	2.1
96.91753	1.1
105.07035	4.9
109.06504	1.3
119.08539	2.2
131.08563	1.2
151.07622	1.4
157.10083	1.2
165.68826	1.0
177.09109	2.1
221.15361	1.2
251.12444	1.4
326.82309	1.1
333.20264	12.6
344.90469	1.2
344.94641	1.2
372.00723	1.3
389.22839	1.3
617.36432	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.49
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60217	0.9
58.81627	0.8
60.44672	0.8
75.03496	1.0
75.48941	1.0
76.24404	1.0
81.07037	1.8
617.48926	100.0
634.83453	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.49
Annotation	CHEBI:84528
Peak:m/z	Relative Intensity
52.62084	0.4
65.51700	0.4
90.88814	0.6
94.42876	0.5
95.08577	0.6
104.28458	0.5
105.07013	0.7
108.54530	0.5
177.48253	0.5
198.98932	0.5
223.99124	0.5
494.98410	0.6
524.45929	0.6
617.48901	100.0
618.49200	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	617.4902
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25681	2.4
69.07072	3.1
74.05933	3.3
93.07000	3.0
121.47730	3.6
129.72835	3.6
153.42580	3.0
204.67297	3.0
206.00940	2.9
247.11298	3.0
267.54800	3.0
362.98459	3.5
527.32935	3.2
617.39624	4.1
617.48975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16711	0.5
55.01870	7.6
55.05503	0.7
57.03419	0.7
67.05487	3.5
69.03410	0.8
76.56551	0.6
79.05466	1.5
81.03388	1.3
81.07061	2.4
83.04892	0.7
91.05431	3.1
92.08646	1.1
93.07014	1.6
94.04179	1.0
95.04945	3.0
97.06510	0.6
97.92592	0.6
103.05445	2.6
105.06979	2.7
107.04945	1.0
107.08549	1.2
109.10111	1.5
113.02335	0.9
114.36834	0.6
115.05428	1.2
117.06996	1.5
119.04906	3.2
121.06429	0.9
122.03603	4.4
123.04428	0.8
129.07027	1.0
131.03381	1.5
131.04900	6.4
131.08499	0.7
135.04401	1.2
137.05954	50.3
139.02130	0.6
145.06476	3.8
145.10126	0.7
147.04393	1.1
151.03908	2.6
151.07506	0.8
153.05434	14.8
157.06339	0.8
158.03642	0.9
159.04404	0.8
161.05910	3.2
163.03886	2.9
163.07430	1.3
164.04663	3.0
165.05443	1.6
171.04391	1.0
173.05959	4.3
174.03026	0.7
174.06804	1.0
175.03864	12.2
176.04723	0.7
177.05418	4.1
177.08974	0.7
179.07033	3.7
181.04916	1.5
185.06030	0.8
186.03166	0.7
189.05450	4.3
190.06242	2.7
191.03337	3.0
192.04138	2.5
193.04970	1.4
199.03856	1.1
200.04738	0.7
201.05434	12.7
203.03387	10.2
205.04918	2.7
206.05736	4.7
207.06490	14.7
209.04443	6.2
214.02585	1.4
215.03180	1.1
217.04913	2.6
218.05743	1.2
219.06555	3.2
221.04555	1.0
228.04196	0.8
229.04889	13.4
231.02856	3.3
232.03546	0.9
233.08031	4.3
235.05963	21.8
241.04825	0.7
242.02045	1.1
243.02878	2.9
243.06470	0.9
245.04288	0.9
246.05136	2.7
257.04364	13.7
259.02249	1.3
261.07489	5.1
263.05472	8.1
271.02368	4.2
274.04642	2.5
275.05475	2.8
281.04465	0.8
285.03806	5.5
286.04614	2.8
289.07007	79.8
299.05423	3.1
301.03232	0.9
301.16248	0.8
302.04132	1.1
316.05511	1.4
317.06491	100.0
331.07941	7.6
439.10101	4.8
467.13318	59.0
468.13397	1.3
609.50726	0.7
617.33075	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	615.44
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	11.9
57.07067	7.9
59.04993	5.5
62.06600	5.3
64.98369	4.8
67.05486	13.5
69.03371	5.3
69.07049	9.3
79.05487	27.0
81.07030	42.2
82.03748	6.3
82.47966	5.4
83.08609	5.0
85.06525	8.6
85.59731	5.1
89.06025	10.6
91.05486	28.8
93.07028	50.3
95.04962	9.4
95.08588	38.3
95.19189	5.5
105.07015	41.7
107.08588	28.9
109.10149	10.0
117.07033	8.4
119.08573	65.0
121.10119	31.6
123.08064	12.3
125.05944	6.6
125.09672	5.9
131.08554	23.9
133.10129	39.4
137.09598	9.8
138.92790	5.5
142.07776	9.7
143.08508	9.9
145.10127	27.7
147.08009	5.6
147.11688	13.5
151.07539	29.5
157.10065	23.9
159.11700	10.2
163.11159	6.7
165.09123	8.4
170.10948	5.5
171.11684	7.5
181.12312	6.3
182.10768	6.1
183.11644	6.2
197.13170	7.5
221.15338	28.4
322.60568	5.9
464.45038	5.9
468.22241	6.1
583.41370	9.1
615.43683	100.0
637.99353	7.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11557	1.3
55.01854	3.5
55.05511	1.8
58.46618	1.4
67.05479	7.1
69.03395	1.7
79.05476	2.8
80.55862	1.6
80.72936	1.4
81.03383	3.0
81.07034	3.1
86.68075	1.3
91.05447	6.5
92.08656	3.3
94.04165	6.6
95.04954	2.8
103.05452	22.9
109.10142	2.5
115.05475	1.5
117.06984	2.0
119.04922	2.1
122.03628	12.4
131.04910	46.1
133.06422	1.5
135.04427	2.6
137.05954	100.0
139.03941	2.1
146.93950	1.5
147.04269	1.8
149.40346	1.6
151.03889	2.1
151.07475	2.6
153.05467	10.4
161.05983	1.9
163.07527	9.5
164.78526	1.4
165.05431	2.5
175.03888	9.0
177.05421	2.3
179.07021	2.7
180.58308	1.4
192.04190	2.6
201.05440	12.6
203.03307	7.3
206.05687	2.1
207.06566	13.5
209.04349	2.0
210.56380	1.6
217.04944	2.2
229.04973	9.7
233.08003	2.7
235.05943	15.3
257.04361	13.5
261.07584	3.4
263.05466	3.5
275.05179	1.5
285.03873	13.6
286.04425	1.9
289.07013	62.6
317.06531	70.4
317.10226	3.9
331.08115	7.3
428.93375	1.6
439.10065	1.9
467.06781	1.6
467.13278	50.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	617.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16298	0.7
55.01862	2.4
67.05483	1.5
68.99776	1.0
73.65706	1.0
79.05457	1.8
81.07026	2.1
83.04947	1.1
85.02902	1.8
91.05459	2.0
92.08793	1.2
93.07037	1.3
94.04185	1.3
95.04948	1.7
103.04746	1.5
103.05446	45.9
105.07003	2.4
107.04911	1.6
107.08561	1.6
109.06551	1.2
115.05418	1.3
119.04920	1.1
119.08526	1.7
120.89599	1.3
121.06490	1.3
122.03664	7.8
131.04904	100.0
131.08565	1.1
133.06433	1.3
137.05956	55.1
139.03857	1.2
145.06511	2.1
147.04346	1.5
151.03914	2.1
151.07513	2.3
153.05478	6.3
161.05954	4.3
163.07512	21.4
165.05391	3.7
167.06993	2.2
173.82837	1.0
175.03850	5.3
175.07559	1.2
177.05478	1.3
179.06961	1.3
189.05354	1.1
191.06940	1.4
192.04259	1.2
201.05492	6.2
203.03358	6.3
204.04137	1.1
205.05121	1.1
207.06490	6.7
209.04431	1.4
217.04979	1.3
223.05920	1.5
229.04916	5.6
231.02776	1.3
235.05969	10.0
241.69514	1.1
247.05975	1.6
249.07611	1.3
255.12413	1.2
257.04364	5.7
261.07715	1.4
273.03860	1.1
285.03888	7.7
287.05664	1.1
289.07022	35.6
299.05408	1.4
301.06949	1.9
305.06451	7.1
317.06506	39.0
331.08063	2.3
432.18851	1.5
466.16495	1.3
467.13321	29.3
492.21106	4.2
586.18988	1.4
609.51703	1.2
617.20392	1.9
617.30719	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1756
Annotation	Taxifolin 3-glucosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
50.67569	0.4
53.00308	0.4
53.03917	0.6
54.81305	0.5
55.01859	0.7
55.05496	1.3
57.03425	18.5
59.04983	1.0
61.02905	1.1
67.01839	1.2
67.13822	0.5
68.99764	2.4
69.03415	9.3
71.01334	1.0
71.04971	100.0
73.02885	2.6
75.04453	3.6
75.19664	0.4
81.03411	0.8
83.04951	3.4
85.02883	97.8
87.04452	2.3
95.04932	2.3
97.02862	3.0
97.93977	0.5
99.04404	2.2
104.29033	0.5
105.03320	0.5
107.04932	1.2
109.02871	1.0
111.04424	4.9
112.84227	0.5
121.02848	4.3
123.04394	34.9
125.02364	0.7
127.03884	7.2
129.05460	14.8
133.02797	1.1
135.04387	5.1
137.02322	0.8
139.03876	3.6
145.04904	0.9
147.04347	0.7
147.06474	3.9
149.02313	36.4
151.03874	3.7
153.01797	55.5
157.06471	1.3
161.02260	3.3
163.03806	1.3
165.01807	4.3
167.03400	7.2
171.02818	6.8
173.02350	1.2
175.03825	2.4
177.01834	1.0
179.03293	2.3
180.54880	0.5
183.02821	2.2
185.05910	3.4
185.44060	0.5
191.03337	1.1
193.04906	0.9
195.02843	15.0
203.03403	3.8
203.06923	0.6
213.05449	6.0
213.54454	0.6
217.04976	0.9
219.02861	4.0
221.04413	0.9
231.06453	30.1
231.08771	1.0
231.16338	0.6
241.04871	4.3
245.04338	3.8
255.06271	1.1
258.05270	1.1
259.05942	28.0
263.05368	4.4
273.07574	1.1
281.06473	2.7
283.05698	1.1
287.05463	13.4
297.07635	0.7
299.07727	1.1
301.07010	2.3
305.06473	48.1
307.06085	0.6
311.05383	0.9
317.06430	0.9
325.07202	0.9
329.06464	1.3
347.07547	5.1
371.07495	3.6
397.09082	1.1
415.10034	3.2
433.11145	2.2
451.12140	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	613.4821
Annotation	1.3-dilinolenin
Peak:m/z	Relative Intensity
55.05503	27.8
57.03423	5.9
57.07080	7.9
61.78068	5.3
67.05494	67.3
69.07053	12.8
79.05479	41.7
81.07041	67.2
83.08599	8.9
91.05457	26.6
92.08997	5.9
93.07019	51.1
95.08607	53.0
95.76836	5.6
95.94802	5.9
105.07019	39.1
107.08563	46.5
109.10113	26.5
116.92413	6.6
117.06977	8.6
119.08553	36.2
121.10118	29.3
131.08563	29.7
133.10135	15.3
135.11688	14.9
142.98080	6.6
143.08601	12.7
145.10150	29.9
147.11671	12.1
149.13220	10.9
159.11700	24.8
173.13203	9.9
181.26416	6.2
595.46875	11.6
601.22546	7.5
613.48157	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	614.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.05496	35.8
55.61312	3.6
57.03423	20.9
57.07062	3.8
62.60151	3.3
67.05491	76.4
69.07040	29.9
79.05471	21.9
81.03391	100.0
81.07030	75.2
83.04956	5.5
83.08611	34.0
85.06518	4.4
89.06021	31.5
91.05444	36.5
93.06990	40.5
95.04928	21.2
95.08594	50.7
97.06462	4.7
97.10162	8.1
99.04481	4.3
105.07005	28.4
107.08561	17.0
109.06482	5.5
109.10127	23.9
117.07021	6.0
119.08569	21.6
121.10141	17.0
129.06938	7.6
130.45781	4.5
131.08504	7.9
133.10109	9.1
145.10172	5.1
147.11658	10.2
149.09528	5.7
151.14909	4.8
157.10115	8.6
175.11168	5.8
193.12228	9.9
194.33972	4.4
267.15906	64.0
270.95465	4.5
337.27258	67.4
415.25491	6.1
529.38873	48.0
547.39801	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	613.176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66264	0.5
53.03919	0.7
55.01858	1.0
55.05496	2.3
57.03428	20.9
59.04983	0.7
61.02904	2.3
67.01844	1.2
68.33588	0.5
68.99774	1.4
69.03414	9.2
69.59964	0.6
71.01354	0.6
71.04977	97.3
72.05273	0.6
73.02900	4.1
75.04457	3.2
81.03376	1.0
83.04957	3.6
85.02888	100.0
87.04446	2.6
88.74335	0.5
95.04931	1.0
97.02856	3.6
98.23172	0.5
99.04433	1.1
108.92509	0.6
109.02842	1.0
111.00784	0.7
111.04425	4.9
121.02853	2.5
123.04406	35.5
127.03873	6.2
129.05458	15.7
129.06952	0.7
135.04393	4.3
135.58998	0.5
137.02293	1.3
139.03879	3.5
145.04988	0.6
147.04427	1.1
147.06487	3.1
147.53612	0.6
149.01125	1.2
149.02324	37.0
151.03900	4.1
152.09224	0.6
153.01808	58.4
157.06442	0.9
161.02306	2.5
163.03888	1.3
165.01845	5.0
167.03362	7.4
171.02881	6.6
173.02333	1.5
175.03949	1.2
177.01787	2.2
179.03375	0.9
181.06448	0.9
183.02867	3.1
185.05981	3.1
191.03368	2.8
195.02850	16.9
203.03430	3.1
213.05449	5.9
215.03232	0.7
217.04936	1.1
219.02840	2.8
231.06462	26.9
241.04836	3.3
245.04410	3.9
255.06471	2.5
258.05045	1.0
259.05951	25.4
263.05402	3.4
271.06049	1.1
273.07581	0.9
281.06522	1.3
283.05936	1.0
287.05469	12.6
292.87671	0.7
297.07422	0.9
299.07745	0.9
301.06943	2.8
305.06491	44.4
311.05347	0.9
317.06580	0.7
325.06903	1.0
329.06464	1.3
347.07471	2.9
371.07837	1.9
397.08923	1.1
415.10083	5.0
451.12241	3.1
467.11224	0.8
492.74844	0.7
567.01129	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	613.1759
Annotation	Huangqioside E
Peak:m/z	Relative Intensity
53.03935	0.9
55.05501	1.2
57.03428	18.8
61.02905	1.6
64.32991	0.9
67.05473	1.1
68.99776	1.7
69.03416	12.7
71.01322	1.3
71.04972	100.0
73.02892	4.0
74.50201	0.9
75.04463	2.4
81.03389	1.9
83.04956	4.6
85.02886	98.8
87.04440	1.1
95.04962	2.0
97.02880	2.3
111.04418	5.1
121.02842	5.5
123.04399	37.2
127.03896	6.9
129.05455	15.9
135.04387	5.5
139.03900	4.5
145.02794	1.0
147.04460	1.5
147.06525	4.3
149.02327	37.9
149.03464	2.2
151.03902	6.1
153.00552	2.0
153.01799	56.5
153.02986	2.1
161.02310	2.3
163.03911	1.4
165.01768	4.1
167.03366	6.4
171.02835	6.9
173.02394	1.3
179.03261	2.3
183.02798	1.7
185.06001	1.9
189.05562	1.2
191.03325	1.4
193.04979	1.8
195.02863	16.8
203.03375	4.5
213.05406	7.9
216.04434	1.0
219.02884	1.8
231.02951	1.1
231.06487	31.8
241.04953	4.2
245.04442	5.3
255.06494	1.7
259.05954	28.1
263.05527	3.9
271.05917	1.0
273.07727	1.3
283.05960	1.7
287.05493	13.0
299.07797	1.2
301.06784	1.0
305.06500	49.2
329.06528	1.1
334.81226	1.1
347.07767	2.4
355.88806	1.0
371.07413	3.8
397.09433	1.3
415.09882	5.1
416.78683	1.0
419.50171	1.0
434.73901	1.3
451.11948	1.9
605.55591	1.4
609.20538	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4103
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25433	3.1
55.01873	6.2
55.05503	60.6
57.03422	28.3
64.33242	3.6
67.05486	49.0
69.07055	18.7
71.04958	5.8
79.05469	52.7
81.03400	51.5
81.05666	3.5
81.07033	57.7
83.04951	18.2
83.08585	42.7
85.02882	32.9
85.06542	4.9
91.05456	65.0
92.08776	4.6
93.07021	53.7
95.04948	100.0
95.08588	28.7
97.06477	5.1
97.10128	5.6
99.04421	5.6
105.07014	50.4
107.04926	17.3
107.08588	37.0
109.06486	7.4
109.10140	9.4
111.04429	4.6
111.08090	9.4
117.06995	16.9
119.08553	50.2
121.06457	5.4
121.10064	28.1
123.08025	5.6
125.09616	16.0
129.06970	8.7
131.08565	26.6
133.10117	16.4
135.07993	6.1
135.11664	6.2
145.06447	4.9
145.10069	8.9
147.11667	20.5
149.09624	24.1
157.10118	8.6
158.44125	4.0
163.11166	25.5
175.11174	7.7
189.11198	6.3
193.12215	32.3
211.13261	42.2
223.13255	21.0
235.70280	4.9
267.15878	8.3
275.19928	38.6
285.16833	58.9
293.21149	16.0
349.23416	13.8
367.24594	20.7
409.88599	5.0
418.04840	4.7
559.36133	23.2
577.37238	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.4101
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.4
55.05505	43.5
56.58700	2.9
57.03428	29.4
67.05499	88.9
69.03417	5.0
69.07062	47.8
69.60210	3.9
71.04984	8.4
79.05477	82.5
81.03400	65.2
81.07037	100.0
83.04961	34.6
83.08622	29.1
84.11611	3.4
85.02883	29.7
87.62764	4.2
91.05453	82.1
91.48116	3.5
92.08666	11.8
93.07016	80.1
95.04945	40.9
95.08582	44.8
97.02885	5.0
97.06540	8.8
97.10159	4.6
105.07006	68.5
107.04939	19.5
107.08548	38.9
109.06471	12.6
109.10130	4.7
110.21586	4.5
111.04406	4.5
111.08074	9.2
117.07021	18.1
119.08540	46.6
121.10151	20.6
125.09599	4.5
129.07001	21.2
131.08521	35.3
133.10127	37.7
135.11636	7.8
145.10112	6.0
147.11673	20.5
149.09592	17.9
149.13205	8.9
157.10095	18.8
159.11673	5.6
159.59491	3.9
163.11206	5.5
175.11159	16.3
193.12198	31.2
211.13217	31.4
237.40857	4.6
248.10353	4.2
255.16151	4.3
267.15939	23.9
269.17337	5.3
275.20029	19.5
285.16846	48.8
349.23380	5.2
447.27884	4.5
461.28677	8.3
465.28613	7.4
479.30136	48.2
559.36023	9.7
605.13373	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	612.4107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	2.9
54.81622	2.6
55.01868	6.7
55.05509	28.1
57.03433	21.0
67.05495	44.9
69.03411	4.1
69.07062	21.1
71.04975	4.4
79.05485	44.9
81.03403	51.4
81.07046	100.0
83.04980	23.9
83.08601	28.3
85.02892	24.6
90.15788	2.9
91.05468	45.6
93.07016	40.7
95.04951	29.7
95.08593	38.0
97.06531	4.8
105.07020	47.7
106.31223	2.5
107.04951	13.2
107.08592	25.2
109.06503	21.5
109.10127	12.6
111.08070	11.2
113.06037	3.0
117.06976	11.7
119.08574	38.7
121.06544	4.7
121.10115	18.4
123.08047	5.7
123.11704	4.6
129.07007	12.0
131.08540	20.0
133.06506	4.9
133.10101	23.3
135.07997	3.0
135.11691	2.9
137.09702	3.6
142.07822	4.2
143.08430	3.2
145.10127	6.4
147.11673	32.0
149.09589	12.2
157.10130	15.2
159.11719	5.3
163.11108	4.2
175.11166	13.1
178.05722	2.8
193.12222	28.9
211.13290	24.2
249.29549	3.1
250.23654	2.5
267.16037	12.4
275.20023	27.4
285.16910	53.6
349.23676	16.5
367.24777	18.6
371.66745	2.9
416.53091	3.0
507.16183	2.8
541.34943	19.3
559.36261	28.5
577.37134	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	613.1759
Annotation	Okanin 4'-gentiobioside
Peak:m/z	Relative Intensity
55.01848	1.1
55.05500	4.1
57.03165	1.2
57.03425	17.4
57.70563	0.7
58.48153	0.6
59.04975	1.0
61.02897	1.3
65.03922	0.9
67.05504	1.1
68.99771	1.2
69.03060	1.3
69.03413	20.7
70.06579	0.7
71.01323	0.9
71.04972	96.8
73.02892	9.8
75.04457	4.1
79.05472	1.1
81.03380	1.6
81.07024	1.0
83.04964	20.1
85.02885	100.0
87.04428	1.7
91.05469	0.8
93.03380	1.2
95.04946	3.4
97.02845	1.4
97.06496	0.9
98.24743	0.6
99.04440	3.3
105.07003	1.6
107.04952	1.5
109.02847	4.2
111.04419	15.1
111.87457	0.9
113.05965	2.6
117.05473	4.4
121.02818	3.5
121.06464	1.0
123.04405	1.6
125.05982	1.2
126.36244	0.7
127.03880	3.5
129.05453	19.4
133.10025	0.6
135.04390	8.6
139.03870	22.7
145.02856	1.2
147.04379	1.4
147.06517	6.0
147.11537	1.2
149.02309	15.8
150.03130	1.4
151.03905	3.1
153.00557	1.4
153.01799	40.6
153.05411	3.4
157.05037	0.9
163.03839	8.5
163.05963	1.5
165.01791	6.8
165.05403	0.8
167.03392	4.3
171.02838	3.1
173.02301	3.1
173.05949	0.9
175.03876	1.0
177.01834	5.0
177.05389	1.6
179.01955	0.7
179.03285	6.6
183.02855	4.7
187.00055	0.9
191.03397	7.3
193.04956	1.5
195.02858	25.9
201.05515	1.5
203.03380	3.1
205.04877	1.2
207.02747	1.1
217.04930	2.9
219.02827	15.5
221.04396	3.3
229.04889	6.1
233.04257	1.1
237.03865	1.2
239.08997	3.0
243.06493	0.9
245.04442	8.8
247.05867	6.6
253.04938	3.3
253.76836	0.7
257.04404	0.8
261.03928	4.0
263.05386	6.9
269.04300	1.3
271.05969	2.9
275.05505	10.8
275.11166	1.1
281.06570	3.9
285.03909	0.9
287.05438	4.2
289.06973	10.6
299.05392	3.3
299.08124	0.9
303.04892	7.0
311.05334	1.2
313.06976	3.3
315.04660	1.6
317.06476	3.8
321.05960	16.3
323.07584	0.9
327.04895	4.5
331.04358	1.0
345.06061	3.4
353.06473	0.8
363.07153	7.2
369.76038	0.7
385.09103	0.8
387.07077	3.8
391.10458	1.0
394.89130	0.7
413.08514	2.8
431.09656	7.4
449.10654	3.1
467.11606	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32721	2.2
53.03927	4.5
55.01865	2.6
55.05505	47.4
57.03420	15.9
57.07059	3.6
65.03927	3.4
67.05143	3.5
67.05495	99.6
67.89428	2.3
69.07050	36.4
74.29868	2.2
79.05472	90.7
81.07037	99.2
83.04939	2.8
83.08575	13.3
84.50530	2.4
89.53523	2.4
91.04896	2.9
91.05461	84.8
92.08993	21.1
93.07021	100.0
95.04936	12.5
95.08582	68.2
97.06523	3.0
97.10160	4.3
99.74765	2.3
105.07007	87.0
107.08582	50.0
109.06486	4.4
109.10143	33.0
116.06232	2.7
117.07007	26.6
117.34393	2.6
119.08562	65.2
121.10114	39.1
123.11666	2.3
128.06157	3.6
129.06969	24.7
131.08556	47.4
133.10088	39.3
135.11700	18.5
142.07701	4.2
143.08528	16.6
145.10110	32.3
147.11667	26.9
149.13240	5.4
155.08519	5.7
157.10098	17.1
159.11635	29.3
161.13239	17.5
163.11168	2.9
167.08406	2.7
169.10104	13.1
171.11702	18.9
173.13301	19.9
175.14796	5.9
183.11668	10.5
185.13208	15.4
187.14825	3.6
197.13185	5.7
199.14844	3.6
211.14891	4.9
213.16370	3.0
215.17918	3.9
225.16464	4.3
241.19426	13.3
259.20544	20.7
261.22046	4.1
333.24130	18.3
335.25827	33.0
383.29184	2.6
519.41858	3.8
537.42871	3.0
593.45490	6.1
611.46655	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1348
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05490	1.2
68.99767	0.5
69.03410	0.5
69.07056	0.4
69.71342	0.3
71.04973	1.6
74.34121	0.3
77.03870	0.4
79.01826	1.3
79.05465	0.4
81.03390	0.6
81.07027	0.5
85.02886	3.1
93.06989	0.3
95.04936	1.6
97.02850	0.5
97.06495	0.4
105.03382	1.3
105.06995	0.4
107.08588	0.6
109.02807	0.4
109.10143	0.4
111.04414	0.5
123.04401	100.0
124.04751	0.6
125.02335	0.7
127.03928	0.7
131.49126	0.3
135.04469	0.4
135.98595	0.3
139.03880	23.0
143.03371	2.1
147.04381	1.4
151.03882	8.3
153.01805	37.6
153.02815	1.5
161.06032	0.6
163.03867	0.5
167.07033	0.8
253.18013	1.6
271.09637	0.8
273.07602	3.5
305.02829	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	612.1345
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.4
53.03927	0.2
62.00179	0.2
67.05480	0.2
68.99757	0.8
69.03394	0.4
71.04960	0.3
74.12041	0.2
79.01836	2.8
79.05489	0.2
79.86059	0.2
81.07024	0.4
83.04948	0.3
85.02879	0.9
88.41374	0.2
91.05442	0.3
93.03376	0.3
95.04906	0.3
95.08597	0.3
97.02860	0.9
100.80788	0.2
107.01297	0.4
107.04926	1.0
111.00762	1.9
111.04422	1.1
119.04943	0.4
121.02818	0.3
123.04397	20.0
125.02298	2.6
125.05991	0.4
125.27834	0.2
135.04376	3.2
136.78549	0.2
139.03873	21.2
143.03371	7.1
147.04398	4.2
151.03899	0.9
153.01799	100.0
153.05362	6.3
153.91040	0.2
154.02075	0.3
154.05821	1.0
161.05919	0.4
163.03870	0.8
163.07497	0.3
165.09029	0.3
167.06969	0.2
167.56252	0.2
189.05455	1.0
273.07498	15.7
275.05432	1.6
303.12128	0.4
425.08521	3.9
522.84094	0.3
545.69843	0.2
622.09570	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.4666
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	4.3
53.03929	6.0
55.05509	41.3
57.03424	18.7
57.07053	6.1
59.31076	2.8
61.01807	2.8
65.03907	3.2
67.05489	100.0
69.07055	38.9
79.05473	80.3
81.07034	87.8
81.07480	5.3
81.92835	3.1
83.08595	14.0
91.05462	79.4
92.08983	39.4
93.06475	6.1
93.07024	91.6
95.04939	15.9
95.08588	73.9
97.06509	5.0
105.07017	69.9
107.08568	56.1
109.06534	3.1
109.10151	29.6
110.91331	3.6
117.06971	24.7
119.08555	61.6
121.10105	36.5
123.11702	7.1
124.15426	3.3
128.25049	3.2
129.06984	21.2
131.08551	34.4
133.10120	42.1
135.11688	21.6
143.08562	20.0
145.10107	38.9
147.11685	28.9
149.13216	5.3
155.08519	8.2
157.10074	18.1
159.11635	28.0
161.13222	17.2
169.10066	5.0
171.11673	18.4
173.13258	21.0
175.14757	4.3
183.11650	7.4
185.13248	13.8
187.14848	4.1
197.13156	5.7
199.14816	6.3
213.16498	4.0
215.17899	4.9
227.18486	3.4
241.19618	5.7
259.20593	17.9
333.24057	24.9
335.25790	30.8
338.15277	3.5
452.26758	3.5
570.04767	4.0
593.45197	6.2
611.46667	99.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.466
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69255	3.0
54.67149	3.1
54.81855	3.3
55.05507	30.9
57.03426	3.8
62.03693	3.9
67.05501	38.4
69.07064	31.3
79.05468	36.6
81.07030	57.6
83.08620	7.5
91.05437	37.0
93.07013	40.4
95.08572	47.0
97.06526	3.7
98.47199	3.8
105.07014	33.7
107.08568	27.9
109.10148	23.2
111.67133	4.0
117.07027	21.2
119.08546	30.1
121.10153	14.0
128.25563	4.8
129.06963	15.9
131.08546	37.9
133.10126	24.5
133.74660	4.4
135.11719	5.9
143.08542	16.2
145.10123	26.1
155.08556	15.5
157.10136	20.5
159.11697	23.4
161.13239	9.0
169.10089	8.0
171.11601	15.1
173.13196	8.2
183.11649	5.8
185.13196	7.7
197.13271	4.9
199.14752	6.1
211.14839	5.0
239.17883	4.2
379.42938	3.9
476.45364	4.6
519.42065	5.7
611.46643	100.0
637.16699	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	611.4669
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32721	2.2
53.03927	4.5
55.01865	2.6
55.05505	47.4
57.03420	15.9
57.07059	3.6
65.03927	3.4
67.05143	3.5
67.05495	99.6
67.89428	2.3
69.07050	36.4
74.29868	2.2
79.05472	90.7
81.07037	99.2
83.04939	2.8
83.08575	13.3
84.50530	2.4
89.53523	2.4
91.04896	2.9
91.05461	84.8
92.08993	21.1
93.07021	100.0
95.04936	12.5
95.08582	68.2
97.06523	3.0
97.10160	4.3
99.74765	2.3
105.07007	87.0
107.08582	50.0
109.06486	4.4
109.10143	33.0
116.06232	2.7
117.07007	26.6
117.34393	2.6
119.08562	65.2
121.10114	39.1
123.11666	2.3
128.06157	3.6
129.06969	24.7
131.08556	47.4
133.10088	39.3
135.11700	18.5
142.07701	4.2
143.08528	16.6
145.10110	32.3
147.11667	26.9
149.13240	5.4
155.08519	5.7
157.10098	17.1
159.11635	29.3
161.13239	17.5
163.11168	2.9
167.08406	2.7
169.10104	13.1
171.11702	18.9
173.13301	19.9
175.14796	5.9
183.11668	10.5
185.13208	15.4
187.14825	3.6
197.13185	5.7
199.14844	3.6
211.14891	4.9
213.16370	3.0
215.17918	3.9
225.16464	4.3
241.19426	13.3
259.20544	20.7
261.22046	4.1
333.24130	18.3
335.25827	33.0
383.29184	2.6
519.41858	3.8
537.42871	3.0
593.45490	6.1
611.46655	83.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.1
54.81049	0.3
55.01862	0.4
57.03409	0.4
65.03918	1.8
67.05493	0.2
69.03404	0.6
71.04961	2.4
79.05478	2.9
81.07030	1.1
85.02892	3.6
91.05466	2.0
93.03379	5.8
93.07037	0.3
93.76496	0.3
94.04153	3.1
95.04940	0.4
95.08630	0.3
97.02844	0.4
97.06505	0.5
101.49424	0.3
103.05466	0.5
108.65182	0.2
111.04419	1.9
121.02840	6.2
123.04404	0.3
125.05971	4.4
131.04886	2.2
137.05969	0.6
139.03891	0.4
151.07500	0.4
153.05438	100.0
154.05757	1.0
163.07516	0.3
179.06841	0.3
210.12714	0.3
303.04919	0.5
303.08664	0.4
303.12189	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	611.1604
Annotation	Rutine
Peak:m/z	Relative Intensity
53.03939	0.3
54.14317	0.1
55.01867	0.2
55.05519	0.2
56.49381	0.1
57.03425	4.5
57.03696	0.2
61.02914	0.6
63.54972	0.1
64.33717	0.1
68.99792	0.6
69.03419	1.1
71.01341	0.2
71.04974	23.7
73.02905	0.7
75.04464	0.8
81.03400	0.3
83.04971	0.7
85.02887	24.1
86.94070	0.1
87.04459	0.7
93.03418	0.2
97.02869	0.7
99.04426	0.3
109.02879	0.7
111.00789	1.2
111.04421	0.6
112.91502	0.1
121.02843	2.2
123.04377	0.2
127.03899	0.8
129.05441	2.6
137.02313	3.7
137.03294	0.2
145.04985	0.1
147.06479	0.3
147.96561	0.1
149.02362	0.5
153.01796	5.0
157.06418	0.2
161.05913	0.2
163.03836	0.7
165.01791	2.8
173.06001	0.2
183.02844	1.5
187.03873	0.6
201.05438	2.2
213.05298	0.4
219.02945	0.2
219.06429	0.2
229.04906	5.1
247.05974	0.9
257.04364	3.0
258.05270	0.2
274.04684	1.0
275.05237	0.3
285.03860	1.4
287.05441	29.1
288.05743	0.5
303.04922	100.0
304.05243	1.5
449.10739	1.4
465.10190	11.2
529.50458	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	609.5388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
55.05501	17.4
56.97297	1.2
57.07058	5.3
67.05489	41.7
69.07053	36.5
73.04737	8.3
79.05469	27.6
81.07034	100.0
83.08592	9.5
85.91278	1.1
91.05445	16.4
91.05834	9.8
92.68246	1.3
93.07019	52.6
95.04967	1.4
95.08582	83.1
95.09193	3.0
97.10153	5.3
105.07007	55.4
107.08577	61.9
107.74039	1.2
109.10136	52.8
117.06969	4.9
119.08554	56.3
121.10104	50.1
123.11665	18.8
128.44777	1.1
129.06926	2.7
130.07797	1.8
131.08519	18.6
133.10091	36.6
135.11662	25.2
137.13239	4.9
142.07794	1.9
143.08543	10.7
144.09399	1.6
145.10094	30.3
147.11650	25.5
149.13211	25.6
151.14815	1.4
155.08557	1.4
156.09332	2.7
157.10054	13.2
159.11642	32.0
161.13258	24.3
163.14818	8.3
167.05505	3.2
169.10103	6.3
170.10886	1.8
171.11653	14.1
173.13234	20.9
174.39450	1.4
175.14763	12.8
177.16324	2.7
183.11646	6.6
185.13211	11.2
187.14752	12.9
189.16383	10.9
191.17926	3.0
195.11607	1.7
197.13225	5.2
199.14796	9.4
201.16341	9.5
203.17912	5.3
209.13197	2.2
211.14717	4.9
213.16364	7.1
215.17999	5.5
217.19490	2.6
223.14874	2.2
225.16351	2.3
227.17911	6.5
229.19437	2.6
237.16330	1.4
239.09459	2.9
241.19319	1.3
243.21144	1.9
257.22650	1.7
268.97833	2.2
269.22556	5.2
271.24210	1.5
283.03009	1.3
283.24072	2.7
285.00897	5.2
293.22772	1.4
297.25708	2.3
299.06073	5.4
309.17624	1.5
323.27231	1.9
325.29260	1.3
337.28635	2.3
345.19550	1.3
355.06781	10.3
402.96588	2.1
405.34863	1.4
555.17871	1.3
609.44061	2.2
609.53821	59.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1396
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	0.4
65.03931	0.6
67.05479	0.7
67.88851	0.4
69.03410	0.4
79.05472	0.5
83.04948	1.8
85.02886	0.9
89.03911	0.5
91.05457	6.1
95.08611	0.5
105.07041	0.7
107.04922	2.6
111.04427	2.2
117.03353	0.8
119.04918	23.9
121.06538	0.5
123.04449	1.8
135.04388	3.8
145.02821	3.0
145.06439	0.6
147.04385	100.0
148.04744	0.6
149.91158	0.5
153.01820	0.4
159.08040	0.4
163.03880	15.9
173.05998	0.6
189.05421	0.4
201.05415	2.1
217.05011	0.7
235.76559	0.5
275.09082	12.4
291.08594	2.8
293.10043	1.9
319.04367	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	611.1602
Annotation	Rutine
Peak:m/z	Relative Intensity
53.00280	0.1
53.03921	0.3
54.14489	0.1
55.01847	0.2
57.03177	0.1
57.03429	2.4
61.02919	1.4
63.18390	0.1
68.99759	0.2
69.03415	1.3
71.04976	10.7
71.05371	0.3
71.63172	0.1
72.05309	0.1
73.02889	0.5
75.04459	0.3
81.03377	0.8
83.04937	0.6
85.02888	13.7
87.04429	0.2
91.03957	0.1
93.03369	0.2
95.04910	0.2
97.02855	1.3
99.04415	0.5
99.05067	0.1
109.02854	0.9
111.00791	1.1
121.02862	1.3
127.03859	0.7
129.05461	1.6
137.02299	3.1
145.04924	0.2
147.06529	0.2
149.02332	0.3
153.01799	3.6
154.26563	0.1
161.05971	0.2
163.03899	0.5
165.01791	2.1
173.05933	0.3
183.02859	1.0
183.04347	0.2
195.02899	0.2
201.05415	1.5
219.06480	0.2
229.04909	4.5
247.06017	0.8
257.04395	2.8
274.04553	0.5
275.05392	0.2
285.03796	1.4
303.04926	100.0
304.05325	1.7
314.45346	0.1
465.09909	0.6
604.62415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4512
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
54.81857	1.1
55.05504	24.3
57.03425	7.0
57.07065	4.1
65.03960	1.1
67.00330	0.9
67.05492	34.7
69.07055	17.7
79.05473	25.4
80.76135	0.9
81.07037	36.1
83.08604	9.1
85.06523	1.0
86.45821	1.0
91.05453	21.4
93.07022	29.8
95.04950	3.9
95.08585	30.0
97.06521	4.0
97.10165	5.4
105.07012	21.9
107.08574	18.7
107.86130	1.0
109.06471	1.4
109.10134	12.2
109.39424	1.0
115.05462	1.8
117.06988	17.6
117.07755	1.2
119.08563	22.7
121.10128	11.2
123.11707	5.0
123.13461	0.9
125.09618	2.3
128.06232	5.0
129.06981	18.4
131.08553	19.3
133.10114	12.8
135.11649	7.8
141.06963	10.9
142.07793	6.0
143.08539	24.2
145.10100	21.4
147.11688	7.6
149.13329	1.5
153.06944	1.3
154.07787	1.4
155.08517	19.7
156.09381	4.3
157.10098	24.0
159.11694	15.4
161.13251	5.5
163.14801	1.8
165.06993	2.1
166.07738	1.1
167.08557	13.1
168.09373	4.7
169.10083	22.5
170.10869	1.5
171.11667	20.2
173.13193	7.1
175.14830	1.0
177.69690	1.4
178.07858	1.2
179.08586	2.4
181.10094	14.5
182.10921	1.3
183.11650	24.4
185.13229	14.8
187.14883	4.3
189.16342	1.3
191.08699	1.3
193.10120	5.0
194.10892	1.0
195.11664	14.4
196.12492	1.8
197.13199	18.1
199.14864	10.9
201.16364	2.0
205.10098	0.9
207.11754	4.3
209.13229	11.1
210.14148	1.0
211.14795	8.5
213.16454	4.9
219.11710	1.3
221.13275	6.0
223.14772	9.5
225.16405	5.9
227.17937	1.6
233.13176	2.3
235.14854	4.4
237.16321	7.3
239.17981	5.8
241.19643	1.9
249.16322	1.6
251.17886	3.8
253.19684	1.6
257.01193	1.1
263.17856	1.3
265.19565	4.3
267.21146	1.3
277.19446	1.3
279.20844	1.0
291.21158	1.2
297.22205	1.9
321.22073	1.5
323.23523	1.3
335.23654	2.3
347.95679	1.0
349.25366	1.2
351.26651	1.8
363.27170	1.2
365.24548	1.3
393.31689	2.1
461.33887	1.3
499.39111	1.5
517.40302	15.4
535.41711	8.3
539.36725	1.6
555.42517	1.0
573.42761	1.4
591.43964	20.2
609.45056	100.0
610.45660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.5389
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22749	3.0
53.07692	3.5
55.05501	20.3
57.07062	4.2
62.74254	3.6
67.05488	35.1
69.07047	31.5
71.51681	3.4
79.05457	26.9
80.07535	3.3
81.07034	100.0
81.07478	6.9
83.08594	15.3
84.65190	3.6
91.05467	18.4
92.08703	7.2
93.07026	54.9
95.08586	87.7
97.10142	5.2
104.21410	3.9
105.07015	51.6
107.08578	68.9
109.10122	51.4
117.07018	3.7
119.08562	51.0
121.10132	40.4
123.11671	16.1
131.08582	19.3
133.10101	36.5
135.11655	34.3
137.13171	6.8
143.08559	7.0
145.10114	20.0
146.63814	3.6
147.11670	20.1
149.13271	19.2
157.10124	18.9
158.10838	4.5
159.11702	26.4
161.13243	23.8
163.14799	7.3
169.10065	5.9
171.11693	15.5
173.13231	25.2
175.14861	9.3
177.16399	7.3
183.11664	6.1
187.14801	15.9
189.16357	9.0
192.41109	3.8
197.13210	5.5
201.16365	4.6
203.17915	4.9
211.14890	4.5
213.16367	9.2
215.17842	4.9
225.16313	6.7
241.80699	4.3
255.21094	5.0
331.28387	4.4
609.53912	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	609.5391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85382	1.1
53.00296	1.6
53.03923	1.9
53.13765	0.8
54.81445	1.2
55.05506	16.2
57.07060	4.7
61.30935	0.9
65.03940	1.0
66.38509	1.0
67.05497	31.2
69.07056	26.1
69.11173	1.0
72.99332	1.0
73.04736	6.9
73.05114	1.1
79.05474	25.4
81.07043	100.0
83.08619	12.3
83.43021	1.2
88.24695	1.0
91.05408	9.9
91.05794	16.1
91.61156	1.0
92.63422	1.2
93.07026	56.7
95.04977	2.5
95.08588	77.1
97.10152	5.4
99.46086	1.3
105.07018	49.8
105.07730	1.7
107.07858	2.5
107.08581	63.8
109.06555	1.3
109.10143	52.0
117.06995	7.4
119.08564	50.1
119.09390	2.2
121.10120	45.8
123.11683	18.7
129.07004	4.8
131.08563	15.8
133.10124	30.4
135.11671	24.3
137.13222	4.8
142.07716	1.8
143.08521	8.3
143.82841	1.3
144.09276	2.7
145.10109	28.4
147.11679	28.1
149.13252	20.5
155.08479	2.3
156.09306	2.3
157.10106	17.5
158.10922	1.7
159.11671	27.7
161.13222	20.2
163.14771	10.4
167.05554	6.3
169.10104	5.2
170.10889	1.5
171.11644	11.9
173.13197	20.9
175.14784	15.5
177.16380	4.9
181.10065	2.5
183.11659	6.7
185.13258	12.0
187.14815	13.0
189.16382	10.9
191.05199	1.1
191.17957	2.7
195.62524	1.2
197.13290	2.4
199.14799	7.1
201.16400	10.8
203.17924	8.4
211.14792	5.7
213.16446	9.0
215.17940	6.9
217.19524	2.0
223.14720	1.9
225.04414	1.3
225.16409	2.3
227.17882	4.7
229.19507	5.9
231.21130	1.5
239.09575	1.8
239.18033	1.4
241.19496	5.1
243.21140	2.1
253.19420	2.0
255.21222	1.3
257.22568	1.8
267.21094	2.6
268.97849	2.4
269.22549	2.6
271.24139	1.8
281.22714	1.7
283.24246	4.8
285.00873	8.7
299.06189	4.6
325.29172	1.5
355.06931	9.2
553.47375	2.0
577.16199	1.2
609.53870	52.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.4
53.03943	13.5
53.04147	1.5
55.01858	9.9
55.05503	37.5
57.03218	1.4
57.03431	22.8
61.02908	2.0
65.03918	2.2
67.05490	63.2
69.03413	18.7
69.07046	20.3
71.01300	2.4
71.04974	10.3
79.05470	59.6
81.03397	100.0
81.07040	50.8
83.04962	25.9
83.08593	15.6
85.02886	26.0
85.06519	2.3
91.05453	47.5
93.07022	58.3
95.04944	33.2
95.08595	16.8
97.02873	20.8
97.06515	11.5
97.10126	11.8
99.04434	3.9
99.08074	3.0
105.07014	35.9
105.59754	1.7
107.04920	16.6
107.08572	38.2
109.02859	11.9
109.06494	7.1
109.10162	10.9
111.04407	13.9
111.08080	8.4
113.60896	1.5
113.90471	1.5
117.06967	14.0
119.06110	1.5
119.08562	23.2
121.06466	7.4
121.10112	13.3
123.04407	2.3
123.08031	6.8
123.40198	1.5
125.09595	6.4
127.03905	3.8
128.06187	1.9
129.06947	11.9
131.08522	14.4
133.06416	5.0
133.10094	14.4
135.08034	3.5
135.11670	24.2
141.07019	2.0
143.08554	7.0
145.06491	6.5
145.10109	15.1
147.04396	2.7
147.08044	4.0
147.11652	12.8
149.09595	4.0
151.07457	2.1
155.08463	2.5
157.10054	12.7
159.08044	2.0
161.09579	2.3
161.68048	1.6
163.11150	8.7
169.10089	6.6
171.11591	1.9
174.24907	1.6
175.11156	7.2
175.90170	2.1
181.12256	8.2
191.10565	2.1
193.12193	16.6
205.12247	1.8
211.13206	17.5
227.12740	2.0
231.13640	2.5
255.15796	11.8
267.15869	7.7
273.14642	1.7
285.16919	3.2
301.14087	2.2
329.21063	2.4
355.17459	1.8
375.17807	2.1
381.19113	3.2
411.19629	2.3
421.25717	2.1
429.26236	2.6
447.27548	22.6
465.28394	13.1
489.27948	1.9
573.30438	2.5
591.31470	11.7
609.32544	80.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	609.4508
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	2.1
55.01863	2.3
55.05502	27.4
57.03431	4.3
59.20398	1.6
63.37453	1.9
67.05489	42.6
69.07058	26.2
79.05473	31.6
81.07037	42.7
83.08616	11.0
91.05456	27.2
92.08665	9.2
93.07014	27.2
95.04953	4.6
95.08589	35.4
97.10138	4.5
99.08142	2.1
103.91797	2.0
105.07007	31.4
107.08587	25.4
109.06498	2.5
109.10111	16.2
111.08005	3.2
115.05444	2.4
117.07001	17.7
119.08538	25.7
121.10109	11.5
123.11694	2.2
125.09696	2.7
129.06966	20.0
131.08563	21.9
133.10078	17.5
135.11713	4.6
141.07027	8.4
142.07774	4.7
143.08542	27.9
145.10098	28.0
147.11700	11.6
149.13292	2.2
154.07765	2.4
155.08514	23.3
157.10106	17.7
159.11656	17.8
161.13280	2.9
167.08556	11.0
168.09399	2.6
169.10085	29.2
171.11621	25.1
173.13225	7.5
179.08531	4.5
181.10081	17.3
183.11652	29.6
185.13242	16.4
187.14867	3.0
193.10112	4.6
195.11620	23.7
197.13213	24.2
199.14838	12.1
201.16524	3.4
207.11717	4.6
209.13246	11.7
211.14787	14.0
213.16499	4.0
221.13261	4.9
223.14818	8.7
225.16406	8.3
227.17929	4.1
235.14781	2.5
237.16310	7.2
239.17905	2.3
241.19554	4.4
263.17969	2.7
295.20587	2.1
306.15991	2.1
349.25504	2.3
517.40521	14.3
535.41284	3.6
537.89996	2.0
571.48529	2.5
591.44080	23.3
609.45068	100.0
636.39789	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	609.4513
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
54.81699	1.9
55.01851	2.0
55.05507	26.5
56.90396	2.1
57.03425	3.3
57.07056	3.3
59.31103	2.1
67.05491	41.1
69.07059	20.4
79.05474	43.9
81.07042	44.4
83.08603	8.9
91.05468	33.3
91.31129	2.0
93.07028	38.5
93.28920	1.9
95.04949	10.3
95.08591	43.9
97.06528	2.5
97.10149	3.7
105.07010	36.4
107.08578	29.5
109.10149	15.9
113.71350	1.9
117.07014	20.6
119.08556	26.9
121.10136	12.4
123.11663	3.4
128.06203	3.1
129.06972	16.6
131.08531	29.5
133.10074	21.1
135.11700	4.9
141.07008	9.9
143.08553	18.6
145.10117	25.0
147.11682	11.2
149.13332	3.6
155.08536	19.1
156.09340	2.3
157.10091	22.8
159.11632	20.4
161.13257	4.1
162.13947	2.4
167.08534	9.1
169.10117	22.8
171.11690	15.7
173.13211	10.4
175.14734	3.1
181.10089	11.6
183.11653	19.6
185.11804	2.4
185.13136	17.3
187.14815	3.4
189.16226	3.1
194.02979	2.4
194.10905	2.7
195.11697	11.7
197.13185	18.3
199.14705	7.8
203.17796	2.2
209.13275	10.0
211.14787	10.6
213.16425	7.9
221.13229	2.8
223.14795	3.3
225.16396	2.8
237.16312	5.0
253.19440	3.9
259.20636	2.4
321.03793	2.4
487.34424	2.1
517.40552	9.2
535.41144	2.9
591.43671	14.1
609.35358	3.6
609.45105	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	608.3918
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33763	2.0
55.05492	12.0
57.03430	4.4
57.07057	36.0
57.44613	2.0
58.88204	2.4
59.04988	3.6
67.05148	3.8
67.05491	100.0
69.07046	11.1
71.08598	26.7
79.05461	5.9
81.07038	39.0
83.08586	12.7
83.21132	2.4
85.10157	14.4
91.05462	16.9
91.55074	2.2
93.07008	16.5
94.07362	2.8
95.08582	29.6
97.10155	2.8
105.07024	9.5
107.08563	10.1
109.10149	66.3
117.06967	2.8
119.08545	15.2
121.10138	2.9
123.11662	3.1
127.53627	2.7
133.10127	3.9
137.09659	2.4
143.08482	2.8
147.11653	4.3
149.56612	2.4
157.10104	2.8
166.81247	2.3
173.11726	10.9
177.49413	2.8
180.13814	4.9
198.14885	13.4
221.90421	2.4
313.27332	2.6
467.37189	99.3
590.37970	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	608.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60876	0.7
53.00298	0.7
53.03933	1.4
54.81680	0.8
55.05493	1.7
55.45422	0.7
55.82476	0.8
56.32676	0.7
57.03410	4.5
61.02893	1.7
64.06367	0.9
67.05483	7.9
69.03423	7.5
69.07047	4.5
71.04971	1.3
75.04463	10.1
79.05471	7.4
79.06675	1.0
81.07037	21.6
83.04971	1.3
83.08591	1.6
85.02888	16.0
91.05455	11.0
92.09229	0.9
93.07018	96.1
95.04930	8.2
95.08577	20.9
97.02863	4.7
97.06508	2.0
105.04503	0.8
105.07002	15.8
107.04942	1.8
107.08569	30.4
109.06485	13.5
109.10119	7.4
111.08063	11.6
118.78900	0.8
119.08550	21.9
121.06472	54.0
121.10108	64.7
123.08047	11.2
125.05946	1.4
127.03876	3.7
129.06894	0.9
131.08522	6.1
133.10085	10.6
135.08032	14.9
135.11639	8.6
137.05951	3.8
139.95828	0.9
143.08531	3.3
145.10130	3.4
147.08025	5.9
147.11653	13.1
149.05956	5.7
149.09589	11.4
151.07492	1.0
157.10094	4.5
159.11633	4.2
161.09589	5.7
161.13214	8.8
163.14787	31.6
165.09032	1.2
167.10594	1.1
171.07994	1.2
175.07484	15.5
175.11121	2.0
175.14752	20.9
185.11763	1.0
185.13132	7.1
189.12677	4.2
195.11694	1.8
198.10393	1.1
203.14278	18.4
213.12715	13.4
221.15390	2.0
231.13744	25.3
249.14772	32.6
267.15845	100.0
356.07339	0.9
418.73877	0.9
628.99567	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.22
Annotation	Unknow
Peak:m/z	Relative Intensity
58.41630	0.5
61.02927	0.5
61.67982	0.5
65.21275	0.4
74.32428	0.4
85.02909	2.0
97.02890	0.9
129.08842	0.6
133.57202	0.5
137.06029	0.5
139.03859	1.0
164.03008	0.5
167.07014	3.6
168.07420	1.1
176.44118	0.6
182.47345	0.5
208.03107	0.6
243.82674	0.6
249.11372	0.5
251.11700	1.1
257.07922	0.9
409.12720	0.7
411.14267	2.7
427.13412	4.8
442.15900	0.9
443.16580	5.6
605.21906	100.0
606.22443	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	605.2375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.7
55.05500	1.4
64.85365	0.6
65.03925	1.0
67.05486	3.8
69.03410	0.8
69.07052	0.9
72.89305	0.6
79.05482	3.5
81.03396	1.0
81.07035	3.9
81.49531	0.6
83.04941	0.8
84.37072	0.6
86.69916	0.6
91.05460	12.9
93.07027	2.9
95.04945	5.3
95.08604	1.1
103.05434	5.7
105.06985	3.2
106.04189	0.8
107.04932	7.2
107.08604	1.3
119.04898	3.2
119.08587	0.9
121.06484	33.0
123.04428	1.3
123.07963	0.9
129.06961	1.1
131.04906	10.5
132.05214	1.2
133.10147	0.7
135.04385	0.9
137.05962	4.7
138.06273	0.9
139.07526	11.5
140.23734	0.6
145.06615	0.9
145.10104	1.0
147.04427	1.2
147.11777	0.9
149.07083	1.1
151.07520	100.0
153.05438	13.6
163.07524	3.0
165.05434	3.5
167.06972	1.3
173.05954	0.7
177.05309	0.8
193.74992	0.7
195.13710	0.8
196.08026	0.8
243.06447	3.2
244.07010	0.9
257.07990	3.0
257.11725	1.1
269.08105	0.7
284.50894	0.7
299.09082	0.9
303.12259	1.5
437.15756	4.2
438.16132	4.2
605.32001	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2548
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	3.9
55.87199	2.3
67.05472	4.6
69.07053	2.5
76.56373	1.9
79.05457	3.4
81.07024	16.6
91.05476	4.4
93.07005	15.0
95.08597	13.8
105.06997	14.2
107.08575	13.3
109.10107	3.1
111.08022	2.3
114.37099	2.4
118.65298	2.1
119.08543	10.3
121.10091	4.2
131.08531	5.0
132.89651	2.2
133.10075	4.8
135.11617	2.8
143.08537	2.4
145.10129	4.2
149.09691	2.3
157.10072	2.5
159.11742	3.1
163.11087	2.3
239.76120	2.1
266.37326	2.0
268.46442	2.2
273.87521	1.9
363.32648	2.0
389.17575	3.1
403.19073	4.0
405.20667	4.1
417.16486	3.9
418.42065	2.2
419.22446	4.1
431.18494	12.0
433.19980	2.7
446.20972	9.5
447.21942	11.0
474.20465	8.4
475.21356	3.0
491.20850	4.0
519.23926	24.1
547.23340	17.3
579.25793	3.7
607.25317	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	607.2909
Annotation	Methyl pheophorbide a
Peak:m/z	Relative Intensity
57.62728	0.5
62.50774	0.5
63.21043	0.5
63.43895	0.7
78.00634	0.7
92.08771	1.1
166.42004	0.7
178.04633	0.6
200.33344	0.7
235.50667	0.7
314.97168	0.6
316.07153	0.7
328.04700	0.6
334.20255	0.6
352.99030	0.6
403.19135	4.8
405.20816	0.7
417.20761	3.8
418.21552	1.2
419.22467	3.9
431.18112	9.0
432.18716	0.8
432.69540	0.7
433.24033	6.6
434.24643	0.9
445.19623	9.1
446.20801	2.5
447.21848	3.6
459.21231	5.0
460.22473	10.4
461.23306	11.8
473.23410	3.5
474.23837	2.4
487.24756	1.5
505.21768	2.3
547.26874	32.3
575.26093	1.0
607.28998	100.0
608.29443	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
60.95071	0.6
62.93231	0.7
67.05493	0.6
70.06590	0.7
79.05483	3.2
81.07026	1.4
82.61558	0.7
91.05450	6.2
93.07009	1.3
95.04948	3.5
95.08575	1.1
103.05445	3.4
105.06998	11.0
107.04936	46.5
109.06515	1.6
113.02354	1.0
115.05427	0.9
119.04928	4.2
119.08576	0.9
121.02908	0.6
121.06484	10.0
121.10152	0.8
122.03600	1.0
131.04895	69.6
133.06473	7.5
135.04387	1.0
137.05948	39.8
139.03876	4.9
139.07539	3.5
141.07045	0.8
143.04970	0.8
144.05650	1.0
145.06465	7.0
147.03290	1.1
147.04382	14.0
149.05928	1.0
151.03867	5.9
151.07506	13.6
153.05411	1.3
157.06473	1.2
157.99429	0.7
161.05928	1.3
163.07547	6.4
165.05423	4.7
169.06439	1.2
171.04387	3.8
175.07506	22.3
176.08302	0.8
177.05377	1.3
181.04939	6.3
181.06360	1.4
183.08066	0.9
184.07251	1.0
193.04907	1.6
194.05310	1.2
194.07146	1.7
195.08041	1.2
197.05968	1.7
203.06949	1.2
209.09636	1.2
211.07564	4.2
223.07475	6.0
225.05336	0.9
226.09695	0.8
237.09094	4.1
238.09863	12.2
239.06877	5.4
241.04897	1.2
241.12230	1.2
243.10191	1.5
245.08076	3.6
253.08557	2.7
254.09315	7.6
257.08005	43.8
257.39392	0.8
267.09982	0.7
269.11655	100.0
283.09589	1.4
287.08969	0.9
301.10645	4.5
317.10083	1.5
357.43512	0.8
413.86343	0.7
421.16330	1.2
423.14233	26.4
426.68860	0.8
467.16797	4.5
604.38373	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	604.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
60.52788	0.8
64.18768	0.7
65.03934	7.0
65.83768	0.7
67.05489	1.1
69.19735	0.9
73.31441	0.7
75.99850	0.8
76.56045	0.8
79.05470	1.1
81.06976	0.8
82.04174	1.2
83.04961	0.9
85.02891	1.1
87.04444	8.1
91.05461	5.2
93.03375	1.7
93.07050	1.1
95.04955	1.2
98.54291	0.8
107.04939	1.8
107.08607	0.9
110.03633	7.0
111.04424	12.3
113.41050	0.7
113.80221	0.8
114.21379	0.9
115.61996	0.9
119.04922	4.6
121.02864	7.0
121.06516	3.2
123.04404	3.2
125.05952	11.6
131.04915	1.4
133.02809	1.1
137.05951	6.8
141.88298	1.0
145.06468	0.9
147.04414	4.4
149.02332	3.5
151.07541	1.4
153.01851	5.9
153.05434	23.1
161.05971	3.7
162.06642	1.0
167.07022	1.7
178.52501	0.8
179.07024	1.6
194.07185	1.0
195.08051	3.7
197.05978	1.5
210.06792	1.3
211.07498	1.6
221.06042	0.9
223.07542	1.7
224.08195	1.1
225.09077	5.9
227.10698	1.4
228.04086	1.0
234.06741	1.6
235.07486	1.1
237.09084	3.8
238.06308	0.9
238.09750	1.7
239.07025	3.4
240.07774	8.6
244.02827	0.9
249.09019	1.6
249.11159	2.5
249.93242	0.8
251.06969	1.6
253.08516	16.4
253.12148	5.3
254.09285	1.6
255.06523	1.9
255.10129	4.1
257.04410	3.0
265.08554	1.2
266.09418	4.8
267.10251	5.9
268.07123	3.3
269.08008	3.7
270.08847	3.7
271.06094	5.9
281.08041	5.8
281.11655	5.8
282.08688	1.2
283.06473	1.4
283.09491	8.7
284.10458	3.6
285.11151	4.4
285.14807	1.7
294.08862	1.3
295.09570	3.4
296.10513	1.1
298.11786	1.5
299.12720	6.8
309.11154	9.6
310.11884	3.4
313.10635	11.5
313.14255	5.9
327.12213	35.8
328.12836	1.4
331.15341	3.4
341.13715	5.6
359.14801	100.0
361.16602	1.2
371.14764	4.7
437.12460	1.0
439.09875	1.4
589.71844	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2395
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01841	0.4
53.03944	0.5
53.82164	0.4
55.01858	0.7
57.03420	0.9
60.99197	0.4
61.02906	2.4
62.10616	0.4
65.03934	0.9
67.05489	22.9
69.03075	0.7
69.03416	14.9
69.07056	13.7
70.06541	0.7
71.01309	0.4
81.03400	4.6
84.08120	0.7
85.02885	32.8
92.08695	1.2
94.06538	1.9
95.04947	47.5
97.02259	1.0
97.02872	26.5
99.04436	1.9
101.22765	0.4
103.03904	2.7
103.05468	0.8
109.02869	6.3
112.07586	42.3
113.06008	4.8
119.01851	0.5
122.05973	2.4
123.04418	2.7
124.07560	2.4
127.03880	6.1
131.04939	2.3
132.05273	0.8
133.06541	0.5
136.07570	2.4
136.31413	0.5
140.07043	100.0
141.07416	0.6
145.04947	2.6
150.09100	1.0
152.07065	0.7
154.08611	6.8
178.08580	2.7
182.08086	45.2
206.08087	11.0
218.08118	2.5
236.09128	0.7
241.73749	0.6
248.09099	6.3
266.10138	0.9
274.70306	0.5
274.75803	0.5
284.11407	1.9
287.60577	0.5
296.77921	0.5
302.12283	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	603.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	14.5
55.01857	23.2
55.05488	67.9
57.03423	12.9
67.05482	70.2
69.03428	14.6
69.07034	22.7
73.93901	10.9
79.05463	47.3
81.03395	82.3
81.07018	60.7
83.04957	24.4
83.08583	22.0
85.02876	22.3
85.24465	9.8
91.05470	74.5
92.08080	10.2
93.07014	52.2
95.04937	69.9
95.08571	44.3
97.06525	15.3
97.10146	15.3
103.05472	14.6
105.06997	73.1
107.04942	45.6
111.04425	42.2
115.05472	12.8
117.06966	18.0
119.08562	21.0
121.06446	25.4
121.10091	13.7
123.07981	16.8
129.06958	40.5
131.04929	52.9
131.08554	15.0
133.06544	11.6
137.06064	14.1
145.06447	20.9
147.11679	15.6
155.08568	13.8
157.06482	12.9
161.05942	46.3
163.11188	12.5
165.09030	25.2
167.08559	12.9
173.05942	40.3
185.05988	18.4
187.07567	16.0
189.05449	42.8
193.12193	14.3
211.13332	17.5
217.23891	11.8
273.14838	20.8
285.14536	19.9
301.14285	67.4
303.15906	14.2
375.18179	13.2
480.51733	11.9
573.30389	24.5
585.30383	100.0
603.30597	82.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58302	0.9
55.01863	1.3
61.24793	1.0
65.03946	1.5
79.05463	1.4
83.17870	1.2
85.02866	1.6
91.05452	9.3
93.07040	2.0
95.04948	2.4
103.05415	2.0
121.06494	30.8
122.03791	1.1
128.64273	1.1
131.04895	8.2
137.05951	8.5
139.03871	2.2
139.07497	10.2
149.07091	1.3
151.07516	100.0
153.01794	3.1
153.05450	2.8
157.06514	1.3
161.06058	1.5
163.05347	1.6
163.07547	2.2
165.05478	4.6
167.04843	2.1
169.06477	1.4
173.05959	2.5
177.09113	1.9
181.06488	1.4
185.05956	5.7
195.07927	1.4
196.05084	1.4
197.05956	6.2
201.05566	1.5
209.06035	1.2
213.05411	13.7
214.06209	8.0
215.07014	5.4
217.04750	1.3
223.07576	1.8
225.05478	1.6
226.06175	4.7
227.06937	2.3
237.05473	1.8
241.04909	7.7
241.08577	5.8
242.05751	8.0
243.06490	8.1
251.06885	2.2
255.06619	2.6
257.04401	3.0
258.05176	5.8
261.07281	4.6
265.05020	2.7
269.07962	9.2
271.05969	1.3
273.07489	47.1
279.06616	1.6
297.07584	13.9
297.10675	1.6
313.14844	1.5
371.09018	1.6
403.11478	8.9
435.14166	11.6
453.15335	37.5
469.36832	1.3
585.20819	3.0
603.28723	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	602.4325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39849	4.0
55.05502	26.0
57.07074	9.6
67.05503	22.2
69.07059	7.9
73.73239	4.3
79.05475	26.0
81.07040	42.2
83.08614	20.3
91.05463	40.6
91.53918	6.3
93.07027	49.0
94.94019	5.2
95.04944	26.0
95.08607	29.3
97.06512	5.1
105.07017	100.0
106.02122	5.5
107.08562	49.8
109.10114	11.9
117.06949	6.1
119.08562	84.2
121.06485	6.8
121.10127	25.1
123.07996	8.6
125.09624	6.5
129.07014	8.3
131.08556	42.3
133.10112	45.8
135.11661	5.4
142.06380	5.2
142.07732	10.6
143.08545	27.1
145.10124	61.4
147.11710	9.7
149.09589	10.0
151.64166	4.8
155.08521	8.8
157.10133	35.5
159.11685	36.1
161.09581	5.9
169.10094	12.1
170.10698	7.2
171.11638	7.0
173.13242	5.7
181.10045	9.8
182.10902	8.0
183.11723	10.8
187.14784	7.7
194.10832	7.0
195.11688	9.8
197.13213	8.6
199.14783	10.1
209.13210	12.6
211.14842	7.9
214.59741	5.6
215.96391	5.4
225.14848	10.8
282.91379	5.1
311.29977	5.5
320.80582	5.9
351.27020	7.0
363.26703	5.5
516.60266	7.4
602.43219	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	603.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.7
55.01855	0.9
55.05485	0.5
56.75277	0.4
57.57021	0.4
65.03953	0.5
67.01865	0.4
67.05489	1.9
77.03911	1.0
79.05473	2.5
81.03419	0.7
81.07047	3.2
83.04969	0.6
91.05466	1.0
93.03376	0.8
93.07027	2.5
95.04948	14.7
95.08589	1.1
103.05458	2.1
105.04488	2.2
105.07005	2.8
107.04958	1.0
107.08606	0.9
108.02066	0.5
109.06489	1.0
109.10096	0.9
113.02307	0.6
115.03914	0.7
119.08517	2.2
121.02845	0.6
121.06481	3.9
121.10093	0.7
122.03680	0.5
123.04406	15.7
125.05928	0.6
127.03877	0.5
131.04922	3.0
131.08571	0.4
137.05956	9.4
138.03076	0.9
138.06740	0.8
139.03870	2.6
139.07576	1.1
145.06429	0.8
148.84196	0.4
149.05934	0.7
151.03893	23.4
151.05110	0.9
151.07529	7.1
153.05464	7.3
153.06696	0.7
158.07213	0.6
159.11569	0.6
161.05917	0.9
163.07610	0.5
165.05453	14.8
165.06868	0.9
167.07013	3.1
167.08308	0.5
169.04857	0.6
171.08018	0.6
173.05919	0.7
175.07539	1.9
179.03320	0.7
181.04935	10.0
181.06462	0.9
186.06677	0.7
197.06070	0.7
197.08032	0.7
199.03835	0.7
199.07506	1.7
201.05424	0.8
201.09058	0.9
203.06979	0.9
211.07579	1.0
212.08209	0.4
213.05524	0.5
214.06165	1.2
215.07101	1.0
217.18716	0.4
227.06920	0.9
229.08566	2.2
231.06381	0.6
241.08685	0.6
243.06502	1.0
255.06491	2.5
256.07343	2.0
257.08029	3.1
263.09109	2.2
271.05719	0.7
271.09601	3.3
273.07571	1.0
274.08340	0.7
285.07431	1.0
287.05527	0.6
289.10516	2.1
299.09177	1.8
305.29330	0.5
315.08505	1.7
317.10150	100.0
449.78778	0.6
453.15186	0.6
467.17218	3.5
498.97162	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2962
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.6
57.07069	6.2
58.06573	1.4
70.06582	31.3
71.08602	2.8
71.32748	1.4
79.05470	1.5
88.07615	26.3
93.07035	2.0
102.09177	16.7
118.20204	1.4
119.75837	1.5
137.06039	1.3
138.71298	1.4
149.02327	57.4
149.03450	2.6
177.05499	2.6
184.28290	1.6
193.04951	73.6
200.20087	51.8
237.07550	21.0
238.72729	1.3
244.98274	1.4
269.04333	1.7
274.21884	1.5
282.59662	1.4
297.03937	1.9
310.18246	1.4
313.07208	2.8
317.10397	2.2
341.06479	15.4
359.07797	8.8
385.09155	26.0
429.11719	32.7
441.50507	1.5
458.15451	1.4
602.29535	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53783	0.5
55.01867	0.8
57.03413	1.9
57.07066	6.6
59.04982	0.6
61.02910	5.2
67.05489	8.1
69.03414	7.6
69.07054	2.6
69.70406	0.5
71.04973	4.8
73.02889	2.3
81.03387	3.5
85.02885	52.0
85.06530	5.6
87.04440	1.3
91.03921	3.6
95.01666	0.5
95.04944	20.1
95.05516	1.0
97.02861	12.6
99.04410	2.5
109.02850	3.0
113.05979	47.3
113.37295	0.6
119.08560	0.5
127.03873	10.1
131.07007	100.0
137.05949	0.8
145.04942	12.9
163.06003	2.9
172.42387	0.5
174.32079	0.5
188.15601	0.6
192.01218	0.5
257.09991	1.0
267.32422	0.5
293.12244	24.7
310.14651	3.9
310.74744	0.5
532.33997	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2804
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
55.01856	0.3
55.29035	0.1
57.03421	0.2
61.02897	0.3
65.92793	0.2
67.59182	0.1
69.03413	0.8
71.04961	0.2
76.55916	0.2
78.04697	1.9
79.05474	3.7
81.03385	0.4
81.07030	0.3
85.02881	2.3
87.04480	0.2
89.42654	0.2
91.05466	1.8
93.07010	0.4
95.04922	1.1
95.08569	0.2
97.02864	1.0
103.05445	4.3
103.96209	0.2
105.04441	0.2
105.07012	5.1
106.04131	1.1
107.04929	7.1
107.52193	0.2
108.85535	0.2
109.02793	0.2
109.06503	0.3
115.05403	2.0
117.06989	1.2
119.04943	0.4
121.06451	1.8
122.03639	0.4
123.04408	5.0
123.07994	0.3
124.05190	3.2
125.05942	0.8
128.06183	0.2
129.06963	1.1
131.04903	7.4
131.08551	1.1
133.06461	5.8
134.03609	0.2
135.08012	1.2
137.05957	3.0
139.07510	0.2
139.25639	0.2
141.06973	0.9
143.04884	0.7
143.05960	0.2
143.08534	0.4
144.05644	0.3
145.04858	0.3
145.06488	2.6
145.10080	0.4
147.04376	1.3
147.08044	0.4
149.06015	0.7
151.03873	0.7
151.07495	2.7
152.04669	2.6
153.05424	0.4
155.08566	0.2
157.06447	0.4
158.07242	1.2
159.07996	1.4
160.05183	0.4
161.05948	6.5
163.07510	8.9
165.05386	0.3
165.09048	0.3
166.06218	0.2
167.06998	100.0
168.07381	0.8
169.07652	0.2
173.05959	1.3
173.09575	1.7
175.07512	1.8
177.05518	0.2
177.09143	1.6
179.07010	1.9
181.08551	3.7
186.06700	0.3
187.07466	2.6
189.09039	0.4
190.07759	0.2
191.06963	0.2
192.07782	0.9
193.08565	12.1
195.10205	0.3
201.09081	1.9
203.08525	0.8
205.08591	1.5
206.09433	0.2
207.10155	0.9
217.08508	0.7
219.10057	2.4
221.11577	0.2
231.07991	0.7
233.11717	2.0
233.63004	0.2
237.11131	2.3
239.01726	0.2
248.08195	0.3
251.12917	1.3
263.10608	0.8
291.09973	0.4
295.13239	0.4
305.11526	0.2
323.12747	1.4
355.15314	6.5
387.17914	7.1
405.19003	17.3
406.19257	0.3
423.19760	0.9
494.96378	0.2
535.17670	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53714	0.6
55.01857	0.8
57.31507	0.6
61.02906	0.6
67.05477	0.8
69.83884	0.6
75.82921	0.8
80.32567	0.7
83.01314	0.9
85.02911	0.9
91.05448	3.7
103.05437	11.2
105.06940	0.8
105.96911	0.7
107.04948	3.0
109.50529	0.7
121.06443	2.6
129.06989	0.8
131.04893	26.7
136.05161	1.0
137.05966	5.3
139.05394	1.0
143.08556	0.8
143.67732	0.9
147.08015	4.9
149.05939	1.0
151.07521	39.9
152.06224	0.7
153.06917	1.1
160.05179	1.1
161.05885	7.8
163.07524	4.9
167.04910	1.0
168.05807	0.9
168.31216	0.8
173.05977	4.1
175.07497	24.0
179.06996	48.7
185.05942	7.1
187.03810	1.0
191.07027	1.0
195.04353	1.0
196.05234	1.7
197.05956	1.1
199.07515	2.9
203.06978	1.1
209.05904	1.1
213.05414	12.4
214.06232	6.3
215.07033	1.4
217.08496	1.1
227.06960	6.5
230.05679	4.7
237.05232	0.9
241.04881	8.0
241.08495	1.5
242.05711	6.6
245.08076	0.9
255.06433	9.9
256.07098	1.5
257.04428	3.4
258.05185	24.6
258.07797	1.6
267.06299	1.0
269.07947	1.2
273.07513	100.0
281.08197	0.9
403.11584	1.6
417.13190	1.0
435.14301	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	601.4589
Annotation	20(29)-Lupene-3beta-isoferulate
Peak:m/z	Relative Intensity
63.29237	2.3
67.05490	2.3
69.77197	2.2
72.41769	2.2
77.97698	2.2
78.35788	2.2
81.07041	12.3
84.91625	2.3
89.06029	3.3
93.07011	5.5
104.52843	2.4
105.06988	4.4
107.08582	5.3
116.87483	2.3
117.28732	2.6
119.08520	5.0
133.10086	4.0
136.75516	2.5
159.11603	2.7
297.64487	2.5
398.24847	2.8
601.45850	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	602.238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46939	0.4
55.01857	0.5
62.80637	0.4
64.72469	0.5
67.05479	0.5
76.98689	0.4
79.05470	0.7
81.23343	0.4
83.01312	2.2
91.04926	0.6
91.05455	3.9
95.04935	1.1
103.05436	9.9
105.07007	0.8
107.04900	1.1
107.08603	0.5
108.05730	0.5
117.06981	1.7
119.08563	0.7
121.02815	0.7
121.06450	3.5
129.06946	0.6
131.04895	22.2
135.04427	0.8
135.08006	0.7
137.05962	4.1
139.05330	0.9
143.08662	0.4
145.06464	0.9
147.04341	0.5
147.08044	4.4
149.05954	2.1
151.07512	31.2
153.05502	1.9
153.06921	0.9
154.10797	0.5
155.08553	0.6
157.06470	0.8
160.05142	0.8
161.05948	6.4
163.07533	3.5
165.05402	0.5
165.06915	0.6
167.04874	2.9
168.05667	0.8
171.08020	0.6
173.05963	4.0
175.05936	0.6
175.07495	27.2
179.06992	54.0
181.06424	2.4
184.05034	0.5
185.05934	5.7
186.06577	0.5
187.03864	1.9
187.07582	0.8
191.06990	2.9
194.88724	0.5
196.05138	2.0
197.05907	1.1
199.07521	5.3
201.05293	0.9
209.05852	0.5
209.94865	0.4
211.07550	0.7
213.05435	11.1
214.06216	5.5
215.06953	2.6
226.06160	1.0
227.06956	5.7
229.05005	0.8
230.05672	3.5
235.07469	2.0
237.05313	0.8
241.04936	8.7
241.08548	0.9
242.05699	8.1
245.08012	2.3
253.08611	0.8
255.06438	10.4
256.07205	2.0
257.04395	3.5
258.02417	0.8
258.05164	25.6
269.07993	1.0
273.07501	100.0
274.07657	0.5
281.07797	0.7
287.09128	2.7
311.09079	0.9
336.29028	0.5
385.10699	0.7
403.11578	3.4
417.13531	1.8
435.14285	62.3
436.14224	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.9
55.05495	10.5
57.07059	14.9
59.04984	3.7
65.03939	1.5
67.05486	14.6
69.03413	14.5
69.07049	9.0
77.95093	1.3
79.05474	19.4
81.07029	26.9
83.04967	2.4
83.08606	2.3
85.06530	7.5
91.05451	38.2
93.06477	3.0
93.07017	54.2
95.04935	12.5
95.08573	30.1
97.06513	6.2
105.07003	63.5
106.07347	2.1
107.04933	1.6
107.08566	28.4
109.06496	15.2
109.10126	9.7
117.06986	22.9
117.54371	1.6
119.08547	68.4
120.08891	6.7
121.06482	8.7
121.10117	29.4
123.08030	21.5
125.05979	7.2
128.06229	7.5
129.06937	12.4
130.07764	3.1
131.08546	27.1
132.09373	1.8
133.06459	2.8
133.10110	27.1
134.10529	2.4
135.08034	24.9
135.11676	3.1
137.09599	18.1
141.06943	3.1
142.07771	12.6
143.08522	22.1
144.09206	7.3
145.10088	47.9
146.10437	2.5
147.08029	39.4
147.11671	9.0
148.08466	2.3
149.09598	7.7
151.07513	18.5
151.11005	1.5
153.07007	1.9
155.08508	11.6
156.09306	10.8
157.10098	32.5
158.07274	1.6
158.10690	8.0
159.08034	2.4
159.11647	25.4
161.09578	9.0
161.13223	9.9
163.11143	14.6
164.11552	1.7
165.09081	69.4
166.09523	1.6
167.08556	2.1
168.09314	2.9
169.10065	15.6
170.10687	3.3
171.11638	21.2
172.12283	2.0
173.13208	7.9
175.11174	8.6
175.14778	2.7
177.09123	3.0
179.08496	2.8
181.10092	7.9
181.12201	9.2
182.10831	6.0
182.12482	2.1
183.11662	13.8
184.12144	2.3
185.09604	2.0
185.13130	10.8
187.11153	5.9
187.14760	3.4
189.12666	8.5
190.13280	2.7
193.10077	6.0
193.12135	2.7
194.10864	3.8
195.11662	8.7
196.12366	3.2
197.13213	9.4
199.11159	3.1
199.14706	2.7
201.12740	6.6
203.14267	24.9
204.14673	1.8
207.11642	6.6
207.13705	6.7
208.12488	2.6
208.14430	1.9
209.13286	12.1
209.15050	2.2
211.11188	3.0
211.14822	7.8
213.12663	3.3
215.14279	1.7
221.13338	4.9
221.15297	100.0
222.15710	8.5
223.14716	6.3
225.12746	2.3
225.16304	2.0
232.99057	1.7
233.13095	1.8
234.16017	3.5
235.14677	2.2
238.16757	1.6
239.14186	2.0
239.17957	1.9
247.16913	3.7
248.17332	2.0
249.16206	1.8
250.17114	1.9
274.19208	2.2
286.19031	3.4
287.20074	7.2
299.19772	6.3
300.20435	1.7
301.21878	2.7
312.20459	2.8
313.21527	3.8
317.47568	1.9
325.21591	3.6
326.22031	2.0
338.21942	2.0
340.23590	3.7
341.24042	1.8
352.23880	10.1
353.24283	2.8
360.93286	1.7
367.26178	6.9
375.26688	1.9
427.28177	3.1
428.28461	2.4
440.28928	14.3
441.29483	13.2
491.35159	12.0
520.35144	7.2
521.35956	15.8
583.41388	12.6
601.42279	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.1184
Annotation	Quercetin 3-(2''-galloylrhamnoside)
Peak:m/z	Relative Intensity
51.02355	0.2
55.01844	0.1
55.05490	0.2
55.56713	0.1
57.65626	0.1
60.11507	0.1
67.05468	0.2
69.03400	0.6
71.04958	0.1
79.01826	2.5
81.17657	0.1
83.04517	0.1
83.04962	2.1
85.02860	0.5
91.05423	0.1
97.02861	0.6
97.27482	0.1
107.01289	0.6
109.02902	0.1
111.03662	0.1
111.04417	3.0
117.06949	0.1
123.00820	0.1
125.02322	2.8
129.05484	0.2
131.04857	0.1
137.02277	0.4
137.05925	0.1
139.03877	0.2
143.03371	6.6
145.06456	0.2
147.04431	0.3
151.03885	0.4
153.01801	100.0
153.02800	3.7
154.02129	0.4
161.05931	0.1
163.03841	0.1
165.01808	0.1
173.05956	0.5
175.03946	0.1
179.03368	1.3
179.06932	0.1
181.01297	1.2
189.05396	0.4
191.03436	0.2
191.07088	0.2
193.04947	0.2
195.02815	0.4
201.05415	1.2
207.02852	3.8
209.04408	0.4
217.04901	0.4
219.02965	0.1
219.06480	1.9
221.04381	0.8
223.02414	0.7
233.13051	0.1
235.05989	0.5
237.03886	0.5
245.04437	0.4
255.51758	0.1
263.05426	1.4
281.06491	9.5
299.07706	1.4
303.04880	1.1
315.04837	0.4
327.04959	0.6
345.05795	0.7
369.05991	0.2
413.08206	0.1
449.10437	0.2
481.72101	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	601.4234
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.5
57.07061	12.6
62.24940	2.0
64.33603	2.2
65.03916	2.5
67.05491	17.3
68.89864	1.6
69.03423	15.6
69.07058	4.2
70.31786	1.6
73.17854	2.0
79.05471	22.7
81.03368	2.3
81.07034	23.9
83.04968	4.5
85.06548	4.7
91.05464	42.9
93.07021	60.0
95.04948	14.9
95.08578	31.4
97.06500	3.7
103.05434	2.9
104.42471	2.1
105.07020	64.2
107.08573	32.0
109.06509	18.2
109.10155	10.3
111.08092	2.7
117.07011	16.4
119.08552	68.3
120.08874	7.7
121.06493	9.1
121.10125	18.0
123.08039	23.4
125.06001	8.3
128.06198	3.3
129.06978	13.5
130.07753	4.9
131.08531	31.9
132.09450	2.5
133.06479	3.0
133.10095	30.1
134.24413	2.1
135.08026	29.2
135.11693	4.6
136.08449	2.3
137.09613	20.7
138.89108	2.1
141.06845	2.2
142.07758	12.9
143.08559	24.8
144.09300	3.6
145.10104	44.1
147.08023	40.2
147.11658	10.7
149.09612	4.2
151.07489	16.2
155.08519	9.3
156.09312	10.2
157.10098	30.3
158.10550	2.5
159.08051	3.2
159.11646	23.3
160.12103	2.4
161.09566	8.2
161.13185	10.4
163.11163	12.4
165.09064	62.2
166.09456	4.2
167.08569	2.8
169.10091	13.2
170.10899	3.2
171.11652	14.2
172.12260	2.1
173.13240	8.7
175.11171	10.5
175.14694	3.1
181.10072	4.1
181.12198	10.8
182.10918	2.4
183.11682	13.6
185.13205	12.4
186.10156	2.0
187.11137	7.7
187.14795	4.8
189.12665	4.4
193.12122	2.4
195.11697	10.9
196.12427	2.4
196.56046	2.0
197.13268	10.1
199.11145	3.7
200.11758	2.7
203.14270	22.2
204.14612	3.5
207.11806	6.7
207.13838	8.7
208.12434	2.6
209.13150	10.6
209.15048	2.8
211.14865	4.8
213.12700	2.3
217.71939	1.9
219.13768	2.3
221.13290	4.8
221.15300	100.0
222.15639	4.0
223.14740	4.0
225.16330	2.7
227.14206	2.1
234.16190	4.0
235.14691	3.2
247.16943	8.7
248.17252	2.6
253.23083	2.5
259.16562	2.7
287.19949	4.8
299.20023	4.5
301.21762	2.7
312.20654	2.5
313.21213	3.9
325.21817	2.7
326.21622	2.9
327.22791	3.0
340.23621	4.6
341.24063	3.8
352.23981	8.9
353.24258	4.2
367.26166	3.9
428.28470	3.3
428.48096	2.3
440.29233	16.2
441.29376	23.1
491.34991	7.7
520.35175	9.1
521.35706	22.2
583.40997	8.5
601.41565	22.3
601.49707	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	12.7
57.07074	7.5
65.34921	6.3
67.05489	30.7
69.03416	7.5
69.07063	12.2
79.05486	35.2
81.07040	58.0
83.04989	10.0
85.06523	7.8
89.06001	14.6
91.05479	65.3
93.07032	91.2
95.04978	8.0
95.08579	62.9
98.95963	6.4
105.07024	100.0
107.08589	61.3
108.38143	6.9
109.06512	14.2
109.10175	12.5
117.07016	15.1
119.08541	98.1
121.10137	44.3
123.08088	32.0
126.66200	6.6
129.07028	9.6
131.08554	42.4
133.10126	31.7
135.08052	28.4
135.11673	12.5
137.09601	29.1
142.07755	6.9
143.08614	31.3
144.09482	6.6
145.10139	61.4
147.08057	15.5
149.09650	9.0
150.10434	7.4
151.07510	16.1
155.08534	10.4
156.09395	8.8
157.10126	54.6
159.11656	36.8
161.13115	10.1
163.11124	10.3
165.09120	38.5
169.10092	8.1
171.11649	11.8
172.12393	6.5
173.13231	7.9
175.11157	29.5
181.10136	7.2
181.12198	10.6
182.10919	10.4
183.11726	13.2
195.11681	13.0
197.13260	7.9
203.14293	7.9
207.13776	11.0
211.14716	10.1
221.13441	7.8
221.15407	43.5
223.14761	7.5
227.18222	8.4
234.16052	12.0
243.13889	6.8
247.17010	9.4
271.17004	7.4
299.20029	15.5
325.21451	7.9
340.23929	14.2
352.23874	30.2
367.90598	6.4
425.26666	7.1
440.29105	55.3
520.35315	34.3
600.40802	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98380	2.2
54.05748	2.7
54.53369	2.4
55.05503	22.6
56.23463	2.4
56.66150	2.6
57.07062	11.7
59.04980	2.7
67.05497	29.0
69.03406	15.9
69.07042	15.4
71.04977	4.1
71.28547	3.3
79.05476	31.2
81.07031	41.6
83.04956	14.7
83.08586	7.1
85.06535	4.9
89.06021	6.2
91.05452	52.1
93.06483	4.5
93.07023	77.0
95.04946	21.2
95.08588	34.6
97.06499	16.2
105.07011	100.0
107.08588	59.7
109.06497	19.1
109.10143	25.2
111.08030	5.0
115.05402	5.6
117.07021	27.9
119.08562	76.2
119.53333	3.6
121.06453	11.5
121.10131	39.6
123.08073	22.6
123.11694	4.6
128.06207	12.5
129.06989	24.6
130.07755	11.7
131.08540	43.5
133.06409	4.9
133.08527	3.6
133.10091	38.3
135.08038	23.8
135.11644	16.0
137.09550	10.3
139.11198	3.6
141.06969	14.0
142.07715	25.7
143.08557	41.2
144.09288	6.5
145.06465	11.9
145.10114	65.2
147.07997	26.9
147.11653	14.1
148.08731	2.9
149.09592	11.2
151.07530	4.7
155.08508	21.8
156.09302	17.6
157.10114	57.6
158.10815	6.9
159.08037	22.4
159.11650	29.0
160.08820	39.0
161.09583	6.9
163.11093	6.5
165.06961	6.1
165.09108	29.1
167.08540	6.1
167.10625	4.2
168.09311	12.3
169.10077	31.4
169.89893	2.9
170.10867	11.9
171.11644	35.0
171.16617	3.1
172.12331	3.6
173.09631	7.0
173.13260	6.6
175.11111	17.5
179.08528	7.2
180.09288	3.7
181.10066	18.0
181.12201	6.8
182.10895	6.1
183.11649	25.5
184.12387	3.3
185.13254	18.1
187.11162	6.1
189.12721	5.6
193.10092	15.9
193.11938	4.0
194.10866	6.5
195.11627	24.5
196.12479	4.6
197.09647	4.1
197.13203	22.2
199.11221	6.4
199.14725	5.6
203.14284	11.6
205.10114	4.2
206.10849	4.7
207.11635	15.0
208.12427	6.1
209.13269	21.7
210.14206	3.1
211.11166	4.0
211.14766	12.6
213.12685	6.5
215.14108	6.0
221.13356	5.3
221.15227	23.7
222.13947	3.3
223.14850	15.2
225.12625	5.7
225.16444	3.6
232.12532	3.1
233.13158	6.2
233.15321	16.4
235.14716	5.4
237.14719	5.1
244.40462	2.9
247.14645	4.4
247.16904	3.7
249.16229	5.0
255.17349	15.2
281.18927	3.3
285.18521	3.8
286.19223	15.4
287.20038	3.4
303.19415	12.6
312.20917	3.2
325.21591	4.0
337.21637	4.3
352.23901	21.2
365.24637	16.9
381.03043	3.1
503.28381	3.2
507.34677	6.9
520.35248	15.6
600.40704	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	3.8
54.81633	2.4
55.01864	3.6
55.05488	13.6
57.07050	12.5
59.04976	5.5
67.05499	25.6
69.03410	18.1
69.07040	15.8
71.04945	2.4
75.26154	2.1
79.05461	28.4
81.07037	36.3
83.04955	18.2
83.08591	2.7
85.06518	4.5
86.89127	2.8
89.06030	2.8
89.16904	2.6
91.05451	54.5
93.07019	78.0
95.04937	27.1
95.08582	30.7
97.06493	9.1
105.07001	100.0
107.08575	57.9
109.06510	19.2
109.10133	12.0
111.08044	3.2
112.88412	2.6
115.05430	5.9
115.97910	2.3
117.06985	24.9
119.08551	82.9
121.06482	15.7
121.10099	47.0
123.08044	27.2
123.11665	3.1
125.05972	4.8
125.09603	10.6
128.06165	12.2
129.07004	23.0
130.07750	5.6
131.08540	50.4
131.67564	2.6
132.09282	4.1
133.06514	6.1
133.10112	37.0
135.08025	29.6
135.11649	10.9
137.05962	5.0
137.09613	14.8
141.06953	14.7
142.07747	31.0
143.08536	57.9
144.09305	15.9
145.06459	3.6
145.10112	67.8
147.08029	37.2
147.11644	14.2
149.09573	21.7
151.07495	14.3
153.06944	3.4
154.07693	4.7
155.08527	18.7
156.09326	26.3
157.10098	68.5
158.10846	5.4
159.08012	21.0
159.11662	32.1
160.08778	3.0
161.09550	18.2
161.13222	9.6
163.11118	12.5
165.06982	3.8
165.09058	46.8
167.08435	5.3
167.10629	4.5
168.09300	10.7
169.10109	28.8
170.10837	9.4
171.08038	2.8
171.11655	37.6
172.12436	4.6
173.09529	6.0
173.13219	14.6
175.11131	23.8
175.14693	3.2
179.08347	7.6
179.10719	2.8
180.09341	4.3
181.10057	14.3
182.10851	5.8
183.08134	3.3
183.11655	21.0
185.09488	3.3
185.13184	21.8
185.78696	2.7
187.11119	12.9
187.14864	3.7
189.12755	12.2
192.09351	3.7
193.10063	18.3
193.12184	11.6
194.10828	11.2
195.11682	20.0
196.12457	5.1
197.09621	3.5
197.13277	19.5
199.11122	5.1
199.14799	4.2
201.12711	10.9
203.14270	23.4
204.71718	3.0
206.10933	4.8
207.11655	10.1
207.13776	14.1
208.12451	4.4
208.14554	3.0
209.13257	23.5
211.14735	10.2
213.12744	10.9
215.14272	3.9
219.11627	4.1
219.13591	3.5
221.13223	11.0
221.15337	52.4
223.14813	5.6
225.12689	5.3
225.16278	6.1
233.13206	8.5
233.15355	17.3
234.16125	2.9
235.14832	5.6
237.14557	20.0
239.14354	3.7
245.13100	3.4
247.14838	3.6
248.13927	4.9
249.16376	3.6
255.17310	12.4
261.16339	4.9
270.19586	3.7
271.16922	4.1
279.17575	3.7
281.18863	5.4
286.19186	4.8
299.19818	10.9
303.19537	33.6
312.20743	4.8
313.21548	11.0
325.21423	10.0
337.21399	4.3
352.23868	54.7
365.24536	11.3
377.24625	3.5
383.25464	5.3
415.13715	2.6
487.31760	3.3
502.34195	9.8
503.34625	3.1
507.34387	11.3
520.35413	41.9
600.40686	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28892	1.9
53.03936	1.8
55.05499	20.5
55.48863	2.0
57.07054	12.1
67.05489	25.7
69.03412	18.4
69.07049	14.1
79.05472	34.6
81.07043	40.1
83.04957	14.7
83.08619	4.7
85.06521	5.7
89.06014	10.2
91.05461	46.9
92.08733	4.5
93.07021	70.4
93.20662	2.7
95.04956	21.9
95.08583	36.7
97.06510	12.7
97.07189	2.1
103.05436	2.9
105.07011	100.0
106.07767	3.0
107.08575	57.0
109.06480	23.2
109.10140	15.4
111.08108	2.8
114.81618	2.3
115.05433	10.1
117.06981	23.8
119.08549	77.9
120.09324	4.1
121.06465	16.3
121.10120	48.5
123.08046	23.4
123.11630	3.9
128.06166	10.8
129.06984	23.6
130.07750	5.4
131.08534	44.9
132.09341	3.3
133.06488	5.0
133.10107	48.3
135.08035	27.1
135.11646	10.4
137.05849	3.5
137.09608	14.7
141.06982	11.8
142.07748	33.1
143.08551	54.4
144.09305	19.0
145.06410	3.0
145.10091	59.0
147.08018	39.3
147.11668	16.5
149.09570	15.9
151.07516	22.4
154.07692	2.9
155.08574	17.6
156.09341	27.1
157.10094	75.9
158.10863	13.9
159.08011	14.6
159.11642	34.1
160.08705	3.1
161.09605	19.4
161.13223	4.4
163.11134	16.6
165.06979	5.0
165.09064	39.8
167.08539	9.8
167.10612	4.2
168.09312	10.1
169.10056	26.4
170.10886	10.3
171.11674	36.8
173.09586	15.8
173.13197	15.1
175.11099	24.8
175.14815	3.0
177.09235	2.8
179.08604	5.0
180.09273	5.4
181.10114	21.1
181.12173	2.4
182.10829	3.4
183.08098	3.3
183.11642	25.5
184.12332	4.2
185.09480	3.4
185.13171	19.5
187.11105	10.9
188.11972	3.3
189.12730	4.5
190.13438	3.6
192.09398	4.2
193.10120	16.8
193.12166	12.9
194.10858	5.2
195.11697	21.3
196.12418	10.2
197.13168	17.3
198.13992	3.1
199.11104	4.0
199.14740	3.2
201.12767	4.3
203.14268	24.5
206.10966	8.4
207.11606	12.6
207.13737	12.8
208.12427	9.2
208.14415	3.5
209.13181	19.3
211.14796	9.5
213.12695	4.6
213.16270	2.9
217.10233	3.8
217.12402	2.5
219.11731	4.1
219.13744	4.5
220.12407	3.0
221.13193	12.5
221.15326	55.4
223.14758	4.4
225.12682	4.4
225.16339	3.6
233.13112	8.8
233.15292	14.8
234.16165	3.5
235.14778	5.3
237.12720	4.5
237.14816	16.9
247.14659	4.2
247.16904	3.8
248.14017	5.8
251.18109	2.8
255.17314	16.7
259.14792	3.0
261.16357	3.6
270.19748	3.9
271.16891	3.5
273.18387	2.8
274.19116	5.9
286.19263	5.3
287.20059	4.2
299.19907	9.6
303.19479	34.2
310.24643	2.6
312.20679	3.9
313.21545	11.1
325.21396	13.8
337.21466	5.6
352.23926	40.9
365.24515	12.3
383.25790	4.4
502.34265	11.0
507.34671	6.0
520.35297	39.1
600.41205	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	600.4168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	3.0
53.82951	2.1
54.81931	2.5
55.05497	14.8
57.07060	11.4
59.04990	5.4
67.05496	28.9
69.03423	25.5
69.07058	14.5
79.05482	33.3
81.07041	35.3
83.04963	18.6
83.08609	5.5
85.06499	3.4
91.05460	60.3
92.06226	2.4
93.07024	67.8
95.04942	21.1
95.08588	34.2
97.06514	6.5
103.05480	3.1
105.07017	100.0
107.08582	45.0
109.06510	21.9
109.10153	12.1
115.05364	2.6
117.07007	21.5
119.08570	85.8
121.06488	14.7
121.10111	38.3
123.08055	29.1
123.11713	3.6
125.09597	3.3
127.24293	2.6
128.06216	15.7
129.06978	30.5
130.07765	5.5
131.08546	44.1
133.06508	5.4
133.10095	38.9
135.08015	21.6
135.11670	6.7
137.09630	14.6
141.06967	5.1
142.07773	33.8
143.08554	63.5
144.09323	12.9
145.10107	70.1
147.08022	40.5
147.11731	15.2
149.09598	20.0
149.13269	3.6
151.07509	17.7
153.06894	3.9
154.07777	3.7
155.08562	26.3
155.10756	3.3
156.09300	20.0
157.10092	74.0
158.07257	2.9
158.10869	5.9
159.08043	19.4
159.11673	36.5
161.09583	16.6
161.13263	5.4
163.11165	13.7
165.06952	5.1
165.09093	47.1
167.08510	13.2
167.10641	5.6
168.09224	5.2
169.10081	26.6
170.10878	10.9
171.11649	29.6
172.12437	3.1
173.09645	11.3
173.13235	12.9
175.11118	24.9
179.08575	14.8
180.09247	3.6
181.10115	15.3
181.12297	4.0
182.10890	10.6
183.11696	24.7
184.12494	3.5
185.09538	5.6
185.13144	21.7
187.11116	4.9
189.12732	12.1
190.13463	5.0
192.09285	4.0
193.10194	10.6
193.12276	13.1
194.10860	6.0
195.11684	29.5
196.12440	4.8
197.09657	5.7
197.13179	22.8
198.10388	2.9
199.11209	10.1
199.14807	5.0
201.12769	5.5
203.14279	16.4
206.10834	5.1
207.11693	14.6
207.13683	5.5
208.12465	4.3
208.14450	4.1
209.13214	12.8
209.15100	3.1
211.14844	11.7
213.12717	12.1
219.11725	10.1
220.12396	3.1
221.13298	10.3
221.15347	47.3
222.14005	3.5
223.14798	6.1
225.12679	4.3
225.16396	5.8
233.13388	7.4
233.15337	20.5
234.16028	11.4
235.14859	4.7
237.14833	14.7
247.16920	3.6
248.14075	4.8
253.15831	5.3
255.17447	13.7
261.16278	5.1
271.17078	3.5
274.19339	5.0
279.17487	3.4
286.19235	5.2
299.19946	9.8
303.19516	35.3
313.21634	6.6
319.20587	3.7
325.21594	6.7
337.21432	4.7
352.23926	58.0
365.24774	13.6
377.24454	3.7
383.25891	3.4
490.23688	3.2
502.34167	6.4
505.83939	3.4
507.34229	4.1
520.35425	45.4
576.50525	3.5
600.41400	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	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
54.42162	6.0
55.05505	8.6
55.40579	5.8
56.28418	5.1
57.07060	25.3
62.74078	5.9
67.05487	30.5
69.03426	12.2
79.05470	32.9
81.07042	45.6
83.04911	8.2
85.06489	5.9
85.32013	6.2
89.06004	25.5
91.05456	50.7
93.07033	52.3
95.04937	28.1
95.08588	51.2
97.06510	8.0
104.93983	6.2
105.07012	100.0
107.08575	47.5
109.06464	8.8
116.06182	6.0
117.07002	32.1
119.08556	89.3
120.80472	5.8
121.06466	6.7
121.10125	40.8
123.08059	15.1
125.05937	24.2
129.06935	14.1
131.08554	29.5
133.08551	8.7
133.10097	44.6
135.08022	14.9
135.11697	7.1
137.09602	16.3
142.07726	9.9
143.08557	47.3
144.09328	9.1
145.10112	85.9
147.08076	49.2
149.09595	14.0
151.07570	14.8
155.08476	10.8
157.10089	57.6
159.11627	47.8
161.09578	15.0
161.13255	8.6
163.11165	45.2
165.09084	66.8
169.10139	10.8
170.45332	7.0
171.11670	16.4
173.13177	12.8
175.11090	30.6
181.10129	11.7
181.12181	30.5
183.11681	13.6
185.13324	9.4
187.11166	9.6
189.12680	9.5
190.13551	9.8
191.10551	8.6
193.12389	20.0
195.11778	9.2
197.13248	13.1
200.66937	6.4
203.14314	26.2
207.13744	11.9
209.13318	8.1
213.12582	7.8
219.13724	7.2
221.15300	72.3
225.12610	8.5
234.16147	11.0
247.16847	25.6
249.62650	7.9
255.17220	7.8
274.19318	10.8
299.19986	25.2
312.20822	10.8
313.21539	7.5
325.21533	34.9
340.23798	27.0
352.23923	34.8
365.24594	9.8
419.29285	10.1
425.26691	22.5
426.27579	7.7
427.28271	15.1
440.29105	54.1
507.34283	8.5
520.35577	67.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.417
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92163	1.3
53.03932	1.5
55.01862	2.0
55.05503	11.8
56.43030	1.3
57.07073	19.3
57.07313	2.2
59.04985	6.2
64.99361	1.2
67.05497	22.5
69.03429	14.6
69.07042	7.0
72.10261	1.5
79.05464	21.8
81.03374	2.1
81.07046	36.5
83.04951	10.6
83.08613	1.5
85.06525	9.6
89.06007	3.9
91.05468	50.7
92.06242	6.9
93.07027	66.8
95.04936	19.8
95.08587	31.6
97.06496	11.0
98.66997	1.8
103.05448	2.4
105.07019	83.0
106.07781	2.6
106.15527	1.6
107.08587	35.8
109.06499	20.2
109.10162	11.2
111.08015	1.9
112.06325	1.6
115.05426	2.7
117.06992	24.6
119.07706	3.5
119.08568	100.0
120.09386	2.3
121.06456	9.8
121.10125	30.9
122.07283	3.2
123.08057	23.2
125.05982	13.6
128.06216	7.0
129.06999	18.0
130.07751	7.0
131.08534	37.4
132.09297	3.0
133.06471	9.9
133.10103	31.8
134.10901	3.3
135.08028	28.8
135.11629	9.0
137.05887	1.9
137.09628	22.7
139.07570	2.8
141.06924	6.2
142.07738	14.3
143.08533	39.8
144.09326	12.4
145.06447	3.6
145.10106	67.8
146.10837	2.4
147.08029	35.3
147.11714	12.3
147.74596	1.7
149.09619	23.4
149.31158	1.6
151.07552	19.2
153.07010	2.1
154.07674	1.7
155.08521	12.6
156.09337	14.2
157.10092	50.8
158.10884	7.4
159.08025	12.1
159.11681	34.2
160.08807	2.9
160.12357	3.5
161.09587	15.6
161.13243	8.7
163.11147	31.0
165.06953	2.1
165.09090	54.0
166.07802	2.6
167.08589	2.4
168.09233	6.6
169.10083	24.8
170.10869	7.7
171.11647	27.6
172.08826	2.0
172.12384	2.3
173.09569	14.5
173.13225	13.9
174.10316	2.6
175.11160	34.0
177.09065	7.9
178.09911	2.4
179.08549	3.1
180.09341	3.7
180.11343	2.4
181.10098	9.4
181.12193	19.0
182.10904	7.4
183.11649	22.0
184.12463	3.1
185.09599	3.7
185.13216	16.6
187.11183	8.6
189.09171	2.2
189.12708	12.8
190.13503	10.3
191.10640	8.4
191.14172	1.7
193.10124	6.7
193.12212	17.4
194.10811	1.8
195.08054	2.2
195.11716	13.4
195.13322	1.5
196.12440	10.3
197.09666	2.6
197.13216	16.4
198.10358	1.9
198.14081	2.8
199.11115	10.7
199.14807	7.4
201.12650	12.9
203.14264	20.9
207.11687	8.3
207.13783	12.8
208.12576	3.2
208.14580	7.8
209.13246	10.8
211.11166	7.0
211.14786	9.5
212.11900	2.1
213.12709	6.2
213.16331	2.8
215.10631	2.5
215.14346	2.1
216.14995	2.3
219.13731	10.1
221.13347	3.8
221.15340	69.3
222.15773	2.1
223.14815	3.5
225.12619	2.2
225.16371	7.1
227.14279	9.9
231.13850	2.0
233.13115	2.7
233.15277	7.4
234.14024	2.3
234.16113	17.1
235.14822	3.7
237.12749	3.5
237.16266	1.8
239.14212	2.3
239.17934	2.3
241.12282	1.9
241.15901	3.2
243.13834	2.2
245.15312	2.9
247.16943	23.6
249.16391	3.1
253.15775	2.4
257.15207	2.2
259.16931	3.8
267.17197	1.8
269.15192	2.8
271.17023	3.2
273.18405	1.8
274.19257	13.7
286.19202	2.4
287.20062	11.0
297.18396	6.8
299.20016	19.1
300.20746	2.0
307.20401	2.9
311.19809	4.0
312.20752	7.8
313.21558	3.8
325.21524	19.9
327.23276	2.4
337.21552	3.1
339.23093	7.4
340.23965	22.6
352.23886	32.1
365.24606	9.2
366.25677	2.1
369.20758	2.0
379.25983	3.1
387.25290	2.2
391.26373	3.6
392.26956	1.9
405.28125	2.2
413.26535	6.2
419.29187	2.4
420.30035	3.6
425.26721	17.4
426.27530	7.4
427.28369	24.4
440.29132	69.2
507.34424	1.9
520.35376	44.9
559.85779	1.9
585.39221	2.0
600.41376	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.4166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	2.4
55.01862	3.0
55.05494	14.8
57.03421	2.7
57.07061	15.9
59.04991	3.8
67.05482	24.4
69.03401	18.3
69.07055	16.6
79.05473	32.7
81.07037	39.2
83.04968	17.3
83.08578	4.4
85.04279	2.2
85.06492	4.0
85.69499	2.5
91.05447	52.4
93.07011	80.4
95.04943	27.5
95.08580	29.2
97.06486	10.1
105.07004	100.0
107.08573	52.6
109.06479	21.5
109.10133	17.5
111.08014	3.4
111.83028	2.8
117.06991	27.8
119.08543	89.9
121.06464	13.7
121.10103	43.4
123.08046	26.8
125.06011	4.8
128.06186	15.5
129.06958	33.1
130.07776	11.0
131.08539	41.9
133.06490	10.4
133.10103	45.1
135.08060	29.5
135.11668	12.0
137.05945	3.7
137.09569	16.3
139.07516	3.6
141.07024	10.8
142.07730	31.5
143.08549	47.1
144.09332	15.2
145.06471	3.3
145.10098	71.1
147.08012	44.6
147.11639	16.9
149.09604	24.1
151.07495	18.8
155.08562	21.2
156.09293	24.5
157.10092	74.8
158.10867	9.8
159.07990	21.3
159.11667	37.0
160.08849	3.9
161.09575	17.2
161.13202	10.1
163.11125	14.6
165.07004	3.9
165.09029	50.3
167.08540	12.3
167.10652	10.5
168.09306	5.1
169.10049	28.9
170.10866	15.8
171.11667	41.3
172.12357	3.0
173.09546	17.7
173.13260	16.8
175.11104	19.6
176.11954	3.3
177.08981	3.8
177.12715	3.9
179.08522	6.6
180.09302	6.3
181.10060	17.4
181.12228	6.7
182.10901	13.3
183.11636	27.0
184.12416	3.4
184.60797	2.6
185.09612	3.5
185.13229	27.8
187.11108	6.1
189.12700	10.6
190.13441	3.9
192.09383	4.0
193.10152	20.7
193.12154	10.5
194.10872	10.8
195.11670	25.6
195.13318	3.1
196.08717	3.4
196.12421	6.5
197.13194	22.0
199.11200	4.6
199.14781	5.6
201.12685	6.0
203.14206	20.3
207.11641	18.2
207.13760	24.2
208.12483	6.2
209.13170	21.4
211.11246	4.9
211.14781	10.8
213.12642	12.1
215.14236	5.2
217.12091	2.9
218.10899	4.7
219.11708	5.5
219.13757	4.4
220.12491	4.9
221.13213	14.8
221.15329	54.8
223.11160	4.4
223.14774	11.6
225.12627	4.7
225.16370	5.4
227.14359	4.9
231.11688	4.4
232.12585	2.8
233.13185	10.5
233.15373	15.2
234.16136	4.9
235.14688	8.9
235.16872	4.3
237.12712	4.2
237.14516	25.3
239.14261	6.5
241.15778	3.4
245.13237	3.2
247.14664	5.7
248.13942	3.7
249.16426	6.1
253.15842	5.3
255.17372	18.5
261.16409	4.0
262.16971	3.4
263.17841	3.4
271.16916	4.7
274.19241	5.1
279.17270	3.7
281.18848	4.0
286.19205	16.2
286.66919	2.9
287.20053	6.3
294.19635	3.3
295.20422	4.8
297.18655	4.7
299.20044	11.2
303.19373	26.5
311.19946	3.3
313.21426	4.8
325.21579	18.5
337.21365	5.4
347.23648	3.0
352.23877	44.2
365.24692	25.9
383.25845	3.8
502.34213	10.1
507.34686	28.7
520.35370	38.0
582.40234	3.3
600.41406	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	600.4167
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89319	2.6
52.27761	2.1
53.03942	2.4
55.01877	3.0
55.05505	17.0
56.86624	2.3
57.07064	13.2
59.04970	2.9
65.03921	3.7
67.05490	31.5
69.03408	14.8
69.07046	16.4
79.05471	31.2
81.07040	31.0
83.04959	21.2
83.08621	3.2
85.06528	6.0
91.05466	47.8
92.08549	2.8
93.07026	62.8
95.04951	19.4
95.08601	29.5
97.06519	5.9
105.07009	100.0
107.08566	61.3
109.06513	20.1
109.10124	17.5
115.28098	2.7
117.07006	20.9
119.08559	86.6
121.06459	10.9
121.10126	43.1
123.08051	29.9
124.23293	3.1
128.06187	19.6
129.06989	37.7
130.07750	6.8
131.08546	48.9
131.50192	3.2
133.06528	10.8
133.10101	35.7
133.66914	3.8
135.08044	22.6
135.11694	11.5
137.05962	4.8
137.09599	22.5
141.06915	4.3
142.07762	32.5
143.08528	52.4
144.09328	17.7
145.10109	57.5
147.08055	33.5
147.11667	12.7
149.09595	22.0
151.07529	21.4
155.08530	28.2
156.09329	27.8
157.10092	73.4
158.10870	5.6
159.08037	16.3
159.11667	36.5
161.09543	21.5
161.13252	5.4
163.11168	6.6
165.06882	4.0
165.09077	38.7
166.07700	3.2
167.08537	12.2
167.10616	6.4
168.09265	4.9
169.10080	35.9
170.10861	14.7
171.11684	33.2
172.12468	3.6
173.09579	13.5
173.13199	12.8
175.11075	26.5
179.08545	5.6
180.09258	4.9
181.10063	21.7
182.10909	5.8
183.11601	27.1
184.12437	3.9
185.13254	19.8
187.11133	6.1
189.12744	7.2
191.10609	3.9
193.10121	13.7
193.12180	12.8
194.10864	4.6
195.11668	24.3
196.12376	5.7
197.09543	4.6
197.13187	16.6
199.11165	5.1
201.06316	2.8
201.12617	9.1
203.14308	17.4
206.10762	3.3
207.11629	20.5
207.13609	8.6
208.12473	5.6
209.13191	14.1
209.15132	3.5
210.13980	5.1
211.11169	3.7
211.14835	6.8
213.12762	15.8
215.14160	4.3
218.10970	3.4
219.11722	10.7
219.13756	6.6
220.12495	3.4
221.13193	15.8
221.15340	48.7
223.11099	4.2
223.14796	10.1
225.12781	7.2
225.16318	3.9
231.11685	3.9
233.13300	4.2
233.15311	27.5
234.14015	4.3
235.14841	4.3
236.15791	2.9
237.12753	4.1
237.14587	20.2
247.14545	4.4
247.16856	10.2
248.13867	5.0
249.16312	5.3
253.15785	6.7
255.17422	16.6
261.16299	4.0
270.19711	4.6
271.16937	4.9
275.18256	3.8
285.18564	4.0
286.19202	12.8
287.20084	4.7
299.19949	11.1
303.19400	35.6
312.21240	3.1
313.21585	4.8
319.20435	5.8
325.21359	11.1
337.21695	4.6
352.23932	58.9
365.24692	11.3
383.25613	3.3
420.29504	3.2
463.93808	3.1
466.25974	3.1
502.34186	12.3
502.48471	4.1
507.34421	5.3
520.35358	48.3
534.32245	3.1
583.42529	3.9
600.40936	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	600.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01843	1.9
55.05504	7.8
57.03417	2.6
57.53086	1.7
57.54436	1.5
58.99575	15.0
67.05487	23.7
69.07043	10.5
71.04992	2.7
72.42818	1.5
76.02205	100.0
76.03964	2.3
79.05462	8.4
81.03378	4.0
81.07020	21.2
83.04965	3.7
83.06059	2.8
83.08630	2.7
84.04487	20.4
86.06326	1.8
86.09682	2.6
86.99040	4.2
91.05432	14.0
93.07021	19.6
95.04930	4.5
95.08565	16.6
104.10706	2.0
105.07014	18.5
107.04939	4.3
107.08557	11.3
109.06503	9.2
109.10130	4.2
116.01641	29.9
117.07005	3.4
119.08556	9.0
121.06479	4.0
121.10110	9.1
123.08056	2.3
129.06709	2.0
130.04961	9.0
131.08559	15.2
133.06459	2.5
133.10098	13.5
135.07961	2.3
136.40063	2.0
137.09546	1.8
142.03189	9.9
143.08563	2.4
144.01143	15.9
145.10077	9.8
147.11676	9.4
149.09567	2.5
157.10106	2.1
159.11659	4.2
162.02148	49.9
165.05443	10.7
170.02675	2.3
179.03334	2.9
179.04791	75.9
184.07359	13.4
187.05298	2.5
233.05835	9.9
245.05719	3.1
273.18542	2.5
275.19989	26.9
291.19562	2.6
293.21066	20.8
295.73566	1.9
308.09000	34.2
324.28760	2.2
368.22482	7.0
406.61664	2.0
406.85724	2.0
453.23682	3.8
492.46365	2.0
511.09543	2.0
525.25659	2.1
600.29102	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89248	0.3
53.03940	0.6
55.05518	0.3
57.04013	0.4
57.07081	0.3
63.84097	0.3
67.05479	1.2
79.05474	5.4
81.07029	1.2
87.04462	0.7
89.06011	10.7
91.05463	2.6
92.63886	0.4
93.07018	3.2
95.04949	2.9
95.08521	0.4
103.05444	3.6
105.07014	100.0
107.08555	0.5
119.04935	0.4
119.08543	1.6
121.06477	11.4
121.10107	0.5
129.06972	0.6
131.08542	1.3
133.08588	2.7
136.70184	0.3
145.10143	0.6
147.08052	0.6
157.10051	0.5
159.11717	0.4
165.09053	3.4
177.11218	0.7
195.51526	0.4
209.11620	0.4
209.13371	0.6
251.14375	0.6
259.27838	0.3
271.15335	12.2
375.16849	0.6
375.21603	15.4
415.25232	0.6
473.99969	0.4
479.27954	3.6
489.25668	0.4
504.34933	0.4
508.66205	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
54.12614	0.3
63.96439	0.3
63.97083	0.3
69.03409	1.3
78.98718	0.3
83.89007	0.4
85.02872	3.1
90.79622	0.3
91.05460	1.3
92.09325	0.6
97.02861	0.7
107.04893	0.6
115.05449	1.2
117.07033	1.3
118.15820	0.3
128.06181	2.0
129.06960	6.8
131.08540	8.1
133.06438	0.7
133.10085	0.5
141.06917	2.2
142.07788	0.5
143.08522	1.7
144.05699	3.1
145.06439	1.7
145.49265	0.3
146.07246	1.5
147.04298	0.5
153.06947	1.4
153.42419	0.3
156.05609	0.5
157.06461	3.8
159.08014	17.9
161.05920	1.5
161.09563	3.9
167.06995	0.8
169.07558	0.8
170.07141	2.9
171.08052	3.2
172.05116	1.4
173.05927	1.4
174.06723	0.4
175.07497	1.4
187.07474	10.2
187.09155	0.5
188.08237	0.4
189.05487	0.7
189.09058	5.6
191.06870	0.5
195.23914	0.3
198.06747	0.7
199.07524	1.4
203.07037	2.4
204.07761	7.5
205.08554	1.4
213.63756	0.5
216.07719	2.5
217.08502	0.4
218.09372	0.9
219.10059	2.4
220.26218	0.4
221.11664	2.0
231.10054	4.7
237.11304	0.5
249.11145	100.0
250.11446	1.5
267.12216	4.1
301.53885	0.4
319.12265	0.4
344.75955	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81862	0.4
55.01849	0.5
55.05486	0.4
57.03430	0.4
59.39072	0.3
67.05480	0.5
69.03397	1.7
70.06567	0.5
71.04984	0.5
81.03400	0.5
81.07034	0.6
83.04948	2.5
85.02888	8.1
85.06521	0.4
91.05457	2.4
95.08597	0.7
97.02869	2.1
97.06490	0.4
105.06998	0.9
107.04944	3.4
109.02833	0.5
109.10130	0.5
111.04437	0.4
115.05413	2.2
116.06242	0.5
117.06982	2.0
119.08511	0.4
123.04392	0.4
127.03918	0.8
128.06186	2.6
129.05492	0.5
129.06956	8.8
131.04951	0.6
131.08521	9.9
133.06479	0.7
133.10136	0.4
135.04405	0.4
137.05977	0.4
141.06961	2.6
142.07718	0.9
143.08521	2.4
144.05659	4.0
145.06459	3.3
147.04388	0.6
153.07033	0.5
156.05688	0.7
157.06430	3.7
158.07236	0.7
159.08022	16.6
159.09328	0.7
161.09570	3.5
167.07028	3.6
167.08218	0.4
169.07596	0.7
170.07231	3.8
171.08025	3.3
172.05148	1.9
173.05936	1.9
174.06740	0.8
175.07536	1.6
187.07513	14.1
188.08334	0.5
189.03845	0.5
189.05432	0.9
189.09071	5.3
190.06268	0.6
191.06877	0.5
192.07822	0.5
198.06703	0.9
199.07530	2.1
203.07047	3.1
204.06052	0.6
204.07805	9.3
205.08495	0.6
206.09317	0.4
216.07780	2.8
218.09402	0.4
219.10126	3.2
221.11658	2.1
228.23746	0.4
231.10109	4.2
249.11162	100.0
250.11571	0.9
267.12296	1.9
279.06854	0.5
282.08072	0.4
288.05591	0.5
289.05994	0.7
290.06213	0.6
291.06360	0.5
363.16693	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	600.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
58.86288	0.3
65.50922	0.4
69.03404	0.6
80.95061	0.4
81.03364	0.4
85.02868	2.1
86.09637	0.3
91.05431	1.7
97.02853	0.8
105.06995	0.5
107.04919	0.9
115.05452	1.2
116.06153	0.4
117.06993	1.3
128.06189	2.0
129.06966	7.5
130.07745	0.4
131.08534	9.1
133.06476	0.9
133.10098	0.7
138.48238	0.4
141.06953	3.4
142.07738	0.6
143.08528	2.2
144.05664	3.2
145.06476	3.6
146.07259	1.5
147.04332	0.6
153.06958	0.7
155.05949	0.5
157.06458	3.7
158.07214	0.7
159.08000	18.3
161.09579	3.7
167.07007	0.7
169.07590	1.4
170.07251	3.3
171.07991	3.9
172.05148	1.6
173.05931	2.5
173.09541	0.5
174.06754	0.7
175.07497	1.7
186.06769	0.5
187.07491	11.6
188.08397	0.4
189.09076	5.6
190.06255	0.6
198.06744	0.5
199.07571	1.5
201.05247	0.4
201.09077	0.5
203.06987	2.0
204.07767	7.6
205.08539	1.5
206.09309	0.8
216.07750	1.9
217.08598	0.8
219.10088	2.8
221.08066	0.4
221.11690	1.9
231.10088	3.4
233.11684	1.6
234.08858	0.6
237.11198	0.4
249.11150	100.0
250.11484	1.5
251.12776	0.5
267.12216	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	600.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26555	0.1
57.03426	0.3
61.02895	0.2
67.05492	0.2
69.03407	0.8
81.03399	0.3
85.02877	1.1
91.05466	1.5
92.08632	0.4
92.16423	0.2
97.02864	0.7
99.58822	0.1
105.07013	0.9
107.04939	1.4
114.36967	0.2
115.04025	0.2
115.05396	1.5
115.67511	0.1
116.06173	0.3
117.06973	1.3
121.06487	0.4
127.03893	0.2
128.06177	2.3
129.06973	7.1
130.07759	0.3
131.04948	0.8
131.08539	9.1
132.05672	0.3
133.04945	0.2
133.06447	1.6
133.10095	0.4
141.06953	2.6
142.07736	1.0
143.04866	0.3
143.08501	1.8
144.05670	3.2
145.06454	3.5
146.07249	1.4
147.04436	0.7
147.08032	0.4
152.06117	0.2
153.06952	0.8
155.06033	0.4
155.08502	0.2
156.05617	0.3
157.06453	3.7
158.07240	1.6
159.08015	17.4
160.05121	0.4
161.05943	1.0
161.09558	4.1
167.07028	1.0
169.06310	0.4
169.07602	1.3
170.07219	3.0
171.08008	4.6
172.05148	1.5
173.05972	1.7
173.09554	0.4
174.06737	1.0
175.07504	1.9
178.06270	0.4
181.08621	0.6
184.05203	0.2
185.05943	0.3
187.07497	10.6
188.08284	0.8
189.05441	0.3
189.09059	5.7
189.70177	0.2
190.06226	0.6
191.06976	0.7
192.07791	0.4
193.08543	0.6
198.06706	1.4
199.07553	1.6
201.05495	0.5
201.09071	0.9
202.06250	0.2
203.06993	1.9
204.07767	7.5
205.08585	1.5
206.09329	0.9
207.10110	0.7
216.07800	2.1
217.08522	0.6
218.09364	1.1
219.10088	3.8
221.08049	0.3
221.11641	1.8
231.10114	4.8
233.11684	0.9
234.08847	0.7
237.11070	0.6
249.11156	100.0
250.11435	1.1
251.12688	2.6
259.09558	0.7
267.12204	4.3
407.44727	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4092
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.7
55.01847	1.1
55.05500	4.1
55.62182	0.8
56.24920	0.8
57.07067	11.7
59.04985	2.1
61.08224	0.9
63.95578	0.9
67.05489	11.9
69.03412	11.2
69.07050	4.5
69.44320	0.8
71.01414	0.8
72.97906	1.0
79.05467	11.9
81.07038	19.2
83.04981	1.5
85.06503	4.6
91.05457	18.4
93.07016	30.4
94.06025	0.9
95.04932	8.5
95.08578	20.7
97.06490	2.5
105.07010	40.4
107.08561	16.5
109.06494	8.0
109.10134	6.0
111.08079	1.4
117.07014	6.7
119.08550	39.9
121.06495	6.3
121.10118	18.9
122.07367	1.3
123.08051	20.8
125.06010	2.0
126.34503	1.0
128.06190	4.7
129.06963	7.9
130.07794	2.3
131.08531	18.6
131.09430	1.2
133.06477	1.7
133.10107	18.5
135.08015	18.4
135.11655	4.0
137.05972	1.7
137.09590	20.1
139.07602	1.2
141.06941	2.0
142.07727	11.0
143.08537	15.8
144.09323	1.9
145.10117	22.6
147.08026	38.8
147.11687	5.5
149.09598	4.4
151.07504	12.8
154.07794	1.5
155.08582	8.0
156.09335	7.7
157.10114	25.1
158.11011	1.3
159.08015	4.0
159.11684	16.1
161.09625	10.9
161.13242	5.6
163.11118	7.9
165.07022	1.9
165.09074	63.8
167.08554	1.4
168.09369	2.2
169.10062	11.8
170.10895	5.5
171.11618	13.4
173.09590	6.5
173.13312	5.4
175.11172	4.6
175.14893	1.5
177.09067	1.4
177.12700	1.8
179.08522	1.1
180.09309	1.1
181.10097	6.9
181.12190	7.2
182.10954	1.8
183.11661	14.1
185.09508	1.2
185.13219	7.9
187.11205	2.1
187.14709	2.0
189.12733	6.4
191.10628	5.0
191.14299	1.4
192.11372	1.3
193.10114	4.2
194.10909	2.2
195.11699	5.8
196.12410	1.7
197.13232	5.4
199.11208	2.3
201.12753	2.3
203.14278	19.9
207.11655	4.2
207.13843	6.8
208.12624	1.3
209.13260	6.8
211.11212	3.8
211.14816	6.6
213.12762	4.1
221.13293	2.9
221.15320	86.5
223.11263	1.6
223.14798	2.0
225.12723	1.2
227.14508	1.4
229.15872	1.8
231.13747	2.2
233.13217	2.2
247.14648	1.9
247.16890	15.6
253.15855	1.4
263.18073	1.5
281.18994	1.9
287.19800	7.2
299.20026	5.8
301.21506	1.4
305.19101	1.2
311.19962	1.2
313.21811	2.0
327.23306	2.2
365.24701	1.8
373.25146	1.1
391.26349	10.9
419.29446	2.4
427.28400	6.4
453.29782	1.3
507.34659	9.0
519.34534	1.2
581.40051	1.9
599.40857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	599.4091
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.3
55.01844	1.2
55.05501	11.3
56.32426	1.3
57.07062	9.6
57.08126	1.2
59.04975	1.8
62.83741	1.1
63.26145	1.1
65.03936	1.1
67.05495	16.4
69.03417	8.5
69.07053	7.8
79.05479	12.9
81.03403	1.1
81.07033	22.6
83.04973	12.1
83.08597	2.8
85.06529	4.8
91.05453	27.5
93.07022	29.9
95.04955	13.7
95.08601	14.2
97.06518	8.3
100.05721	1.3
105.07008	43.5
107.04969	1.6
107.08571	31.4
109.06496	15.0
109.10147	10.8
111.08041	1.2
115.05443	2.8
117.06989	11.5
119.08562	37.8
121.06496	13.6
121.10120	27.5
123.08031	12.6
125.05974	2.1
125.09640	5.8
128.06218	7.4
129.06989	10.7
130.07779	5.6
131.08554	22.1
133.06511	5.3
133.10100	27.1
135.07997	12.0
135.11685	7.0
137.09624	7.4
139.07559	1.6
139.11133	1.4
141.06987	8.4
142.07738	14.3
143.08533	29.6
144.09300	9.4
145.06528	1.8
145.10120	28.2
147.08057	17.2
147.11708	7.1
149.09570	14.0
151.07527	15.6
153.06972	2.0
155.08493	12.7
156.09282	10.4
157.10089	30.7
158.10851	2.9
159.08063	10.8
159.11650	18.9
160.08792	2.2
161.09625	8.5
161.13249	2.0
162.00099	1.2
163.11134	2.5
165.07025	5.0
165.09081	18.7
166.07631	1.3
167.08565	7.4
167.10660	8.5
168.09366	2.5
169.10085	15.4
170.10899	2.8
171.08011	2.3
171.11615	18.1
173.09634	7.7
173.13202	8.9
175.11192	7.6
175.14774	1.7
177.09116	1.4
177.12683	1.6
179.08543	8.1
180.09264	2.7
181.10097	10.1
182.10901	5.6
183.11713	13.5
184.12401	2.7
185.09639	2.4
185.13292	6.7
187.11130	3.1
189.12758	6.2
190.13416	1.4
191.08667	1.4
191.10580	2.4
191.14336	1.9
192.09206	2.1
193.10143	10.5
193.12051	1.5
194.10927	4.9
195.11659	14.6
196.12531	2.6
197.13194	10.2
199.11212	5.6
199.14851	2.7
201.12701	2.8
203.14323	8.2
206.10968	2.8
207.11676	10.1
207.13823	8.2
208.12485	2.8
209.09689	1.3
209.13242	11.0
210.10619	1.5
210.13943	1.6
211.11203	2.3
211.14729	1.7
213.12752	2.5
215.14322	4.7
216.65164	1.4
217.10175	2.3
219.11734	2.8
220.12456	2.6
221.13245	7.8
221.15379	20.6
223.14844	6.3
225.12770	4.4
225.16339	2.5
231.11758	1.6
233.13243	2.9
233.15309	34.1
234.13913	2.4
235.14818	6.8
237.12732	2.5
237.16582	1.8
239.17885	1.4
241.15965	2.7
245.13173	2.5
247.14737	3.1
249.16243	1.8
255.17683	1.3
257.13190	1.6
257.19107	1.7
259.16888	1.6
260.15500	1.9
263.17853	1.6
265.15823	1.5
281.19012	5.9
284.15466	1.5
285.18524	1.9
287.20502	1.6
299.20166	2.4
373.25421	1.8
441.29858	4.8
507.34546	63.6
599.40833	100.0
600.41180	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	598.4887
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	3.1
53.49576	2.7
55.05494	5.7
55.38958	2.9
57.06858	3.0
57.07070	48.3
59.60963	3.2
63.75006	2.7
67.05495	5.0
68.79212	2.9
69.07037	2.9
69.07398	3.2
71.08610	29.5
73.06525	4.5
79.05489	3.5
81.07023	19.6
83.08598	5.8
85.10173	20.6
89.06013	100.0
91.05459	4.8
92.09309	13.3
93.07034	7.2
95.08575	15.6
96.08947	4.3
103.04846	3.0
105.07032	5.7
107.08583	7.4
109.10125	4.9
119.08542	6.3
120.03513	2.8
121.10142	4.1
133.08617	26.6
138.13017	3.6
144.50073	3.5
177.11160	17.4
221.13791	4.1
253.96414	3.6
256.18939	3.5
299.29181	4.8
302.94431	3.8
371.22672	14.3
478.59451	4.2
560.56616	4.3
581.45715	24.8
598.48059	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	599.4053
Annotation	Unknow
Peak:m/z	Relative Intensity
54.77290	0.2
55.05497	1.1
67.05491	0.7
69.07036	0.6
79.05472	0.5
81.03384	0.5
81.07034	1.8
91.05467	1.1
92.08662	1.0
93.07030	1.3
94.04163	0.5
95.04967	0.6
105.06994	1.1
107.04906	0.3
107.08559	0.4
109.06532	0.5
109.10157	0.5
109.41216	0.3
119.08605	0.4
122.03625	5.4
133.10104	0.5
137.05957	100.0
138.06329	0.5
142.07697	0.4
145.10057	0.4
163.07610	0.3
164.29584	0.3
170.15392	0.6
182.15344	1.1
202.27330	0.3
221.06010	0.4
225.09045	0.4
235.07442	0.3
248.17525	0.3
249.05486	0.3
253.08577	1.2
255.25566	0.3
264.07806	0.4
281.08060	3.6
294.20593	1.8
306.20551	3.1
331.26001	0.3
599.41193	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.6
54.35161	2.8
54.81844	2.9
55.05505	5.2
57.03421	4.7
61.02904	2.4
67.05483	3.6
67.40040	2.3
69.03415	15.7
69.07061	3.2
71.04989	25.0
79.05473	6.0
81.03398	22.2
81.07045	23.5
83.04980	4.3
85.02888	47.3
91.05453	3.1
92.23251	2.9
93.07042	7.0
95.04903	3.4
95.08602	3.2
95.36356	2.8
97.02888	12.4
99.04437	3.9
105.07025	3.1
107.04951	16.9
107.08607	5.1
109.02884	11.2
109.10149	4.0
115.05425	13.1
117.06992	30.4
119.08578	4.1
123.04419	5.3
127.03919	15.6
131.08543	4.9
135.11700	20.9
139.03857	32.6
145.06456	58.8
153.01848	4.5
153.12706	35.2
155.06012	6.7
156.05669	5.0
157.06453	4.4
159.08041	5.1
161.05911	4.0
167.07004	70.3
173.05946	100.0
175.07536	6.0
177.38000	3.7
181.04961	3.9
187.07559	3.5
190.06223	67.2
193.08696	3.0
195.02951	3.7
202.06290	6.9
203.07083	6.0
205.08572	94.3
216.39703	2.8
217.08583	61.3
219.10167	6.2
235.09610	23.0
247.09686	5.0
255.42087	3.4
265.10654	27.5
291.10269	3.1
315.08530	5.9
383.15042	5.6
401.15741	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	598.2986
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	2.1
53.03944	2.1
54.78325	1.1
55.01865	7.5
55.05504	22.2
57.03426	8.8
61.02916	7.2
67.05495	31.4
69.03415	3.3
69.07058	20.1
71.04967	2.4
72.28548	1.3
73.02893	2.6
74.99419	1.1
79.05476	38.0
81.03394	7.5
81.07040	60.2
83.04969	6.6
83.08611	11.9
85.02888	8.1
91.03928	2.1
91.05459	33.6
93.07022	37.7
95.04957	21.5
95.08578	22.4
97.02892	5.5
97.06507	5.2
97.10171	11.9
105.07017	27.8
107.04947	15.8
107.08569	17.9
108.08913	1.3
108.64368	1.4
109.06509	11.9
109.10145	11.8
111.04446	3.1
111.08085	3.1
111.73604	1.3
117.07008	19.5
119.04908	1.4
119.08559	38.8
121.06477	11.6
121.10123	11.6
123.08035	21.3
125.09600	6.7
129.06978	11.1
130.07744	1.5
131.08551	19.9
133.00500	2.1
133.06468	5.8
133.10104	12.1
135.08038	10.9
135.11687	8.3
137.09599	6.2
142.07765	2.4
143.08551	14.2
145.04100	1.7
145.10109	24.7
147.08020	15.9
147.11671	3.0
149.09645	12.3
155.08533	3.1
157.10120	8.0
159.08081	3.3
159.11681	5.6
161.09634	12.2
161.13100	1.9
163.11166	9.1
165.09102	2.3
169.10017	1.4
171.10286	1.9
171.11682	9.2
173.09602	2.5
175.11185	3.4
185.13135	2.4
186.99765	1.5
187.11133	2.2
197.07298	2.2
217.02049	1.2
223.13426	2.4
227.17804	1.8
245.19063	2.0
249.14851	2.2
255.17386	7.3
273.18427	29.9
291.19482	56.0
309.16132	6.4
327.17001	2.8
347.22025	2.9
365.23096	25.3
383.19781	20.7
401.20825	100.0
409.24075	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.5236
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57202	8.7
53.76511	7.5
54.81864	10.1
55.40299	7.8
57.24670	8.0
64.76482	9.4
67.05492	47.8
69.07044	20.9
79.05476	18.7
81.07038	100.0
90.07835	9.5
91.05448	19.8
93.07023	48.9
95.08591	97.6
97.95200	11.3
105.06982	45.4
107.08566	57.1
109.10144	47.4
119.08515	15.9
121.10152	18.0
123.11722	18.7
133.10091	16.3
135.11679	19.0
145.10040	15.4
146.31046	11.2
147.11679	23.3
149.13231	14.6
227.64343	10.4
404.18979	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	598.2492
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.6
54.35161	2.8
54.81844	2.9
55.05505	5.2
57.03421	4.7
61.02904	2.4
67.05483	3.6
67.40040	2.3
69.03415	15.7
69.07061	3.2
71.04989	25.0
79.05473	6.0
81.03398	22.2
81.07045	23.5
83.04980	4.3
85.02888	47.3
91.05453	3.1
92.23251	2.9
93.07042	7.0
95.04903	3.4
95.08602	3.2
95.36356	2.8
97.02888	12.4
99.04437	3.9
105.07025	3.1
107.04951	16.9
107.08607	5.1
109.02884	11.2
109.10149	4.0
115.05425	13.1
117.06992	30.4
119.08578	4.1
123.04419	5.3
127.03919	15.6
131.08543	4.9
135.11700	20.9
139.03857	32.6
145.06456	58.8
153.01848	4.5
153.12706	35.2
155.06012	6.7
156.05669	5.0
157.06453	4.4
159.08041	5.1
161.05911	4.0
167.07004	70.3
173.05946	100.0
175.07536	6.0
177.38000	3.7
181.04961	3.9
187.07559	3.5
190.06223	67.2
193.08696	3.0
195.02951	3.7
202.06290	6.9
203.07083	6.0
205.08572	94.3
216.39703	2.8
217.08583	61.3
219.10167	6.2
235.09610	23.0
247.09686	5.0
255.42087	3.4
265.10654	27.5
291.10269	3.1
315.08530	5.9
383.15042	5.6
401.15741	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	597.2288
Annotation	Unknow
Peak:m/z	Relative Intensity
64.97435	0.2
69.03412	0.2
74.02415	0.3
82.30300	0.2
85.02847	0.3
92.09258	0.2
97.02841	0.3
98.97526	0.2
103.05494	0.2
106.06519	1.1
115.05431	1.6
117.05727	0.4
117.10307	0.2
130.06485	2.7
131.04909	0.5
132.04411	0.9
132.08052	2.4
133.06401	0.2
134.05984	22.3
137.05948	0.8
146.05966	2.0
147.04385	0.3
148.07535	3.7
155.04506	0.2
157.07593	1.8
158.05983	7.8
159.06750	2.3
160.03897	0.5
160.07541	15.4
162.05463	72.7
163.05867	0.4
175.08617	7.0
186.05457	8.2
203.08141	1.4
204.06517	100.0
205.06845	1.4
221.09154	28.2
222.09512	0.3
236.10579	0.3
282.11041	0.4
345.11057	0.5
345.14728	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.376
Annotation	Methylanhydrovilangin
Peak:m/z	Relative Intensity
52.24631	1.2
67.05486	5.7
69.60094	1.1
79.05462	5.3
81.07033	2.5
91.05466	2.4
93.07023	5.8
95.08589	1.7
105.07034	1.7
107.08611	1.5
140.99983	1.3
247.13054	7.0
250.05995	1.2
303.15546	1.7
373.23337	2.3
597.37469	100.0
598.37732	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	597.1808
Annotation	Eriocitrin
Peak:m/z	Relative Intensity
52.27621	0.9
55.05487	1.3
56.96584	1.0
57.03424	19.5
59.04989	1.2
61.02914	1.5
64.33127	1.1
67.45056	1.1
68.99762	1.6
69.03406	7.4
71.01321	1.3
71.04971	99.5
73.02879	2.0
75.00233	1.0
75.04440	2.4
76.55920	1.1
79.05438	1.1
81.03391	2.1
83.04952	5.2
85.02885	100.0
85.06496	1.3
93.03326	1.0
95.04933	2.0
97.02872	3.8
99.04441	1.3
101.05967	1.1
104.66194	1.3
107.04928	40.2
109.02852	2.1
111.04422	7.2
119.04908	1.4
121.02866	8.3
123.04387	5.5
127.03873	7.2
129.05452	14.8
135.04424	10.2
137.02373	1.0
137.05913	2.3
139.03867	6.6
141.06953	1.1
147.04352	4.6
147.06487	4.5
149.02303	38.3
151.03816	1.5
153.01801	53.7
153.03011	2.3
163.03893	5.2
165.01785	5.0
167.03357	4.6
169.06422	1.7
171.02887	8.4
173.02228	2.0
177.01753	4.5
182.44054	1.1
183.02922	2.2
187.03891	1.7
191.03340	2.3
195.02841	13.7
197.05962	2.4
201.05424	1.4
203.03348	1.5
205.01248	1.2
207.02844	4.9
215.06963	35.8
219.02847	11.5
221.04343	1.3
225.03799	1.9
229.04788	1.7
231.02789	4.1
233.04367	1.4
237.03963	1.8
242.05574	1.1
243.02802	2.1
243.06477	27.3
245.04370	4.8
249.03848	1.4
261.03937	10.3
263.05457	4.3
269.04382	1.2
271.05893	13.5
273.03830	4.9
285.03900	4.0
285.07474	2.0
289.03729	1.6
289.06992	49.1
291.04904	1.7
303.04819	1.4
327.04932	2.0
331.07794	3.8
339.08325	1.8
355.08099	2.0
381.09491	5.1
399.10638	2.6
405.08383	1.4
423.10333	1.1
429.11560	1.7
435.12750	1.7
441.10782	1.6
447.10394	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	597.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48537	0.1
53.03925	0.6
55.01852	0.7
56.31997	0.1
57.03426	0.9
60.04499	0.5
61.02892	0.2
65.03598	0.1
65.03923	2.2
66.04695	0.1
67.01837	0.1
67.05481	0.2
69.03407	1.5
71.01344	0.1
71.04977	0.2
73.02891	1.1
73.54574	0.1
79.05467	2.5
81.03397	0.2
81.07021	1.1
81.62299	0.1
82.04142	0.1
83.04971	0.2
85.02515	0.1
85.02892	1.6
85.57346	0.1
85.78886	0.1
88.03957	0.2
91.05457	2.4
93.03379	5.7
93.07007	0.1
94.04164	2.5
95.04930	0.2
95.08595	0.1
97.02855	0.6
97.06516	1.0
103.05413	0.5
105.07003	0.1
106.05010	0.1
107.04920	0.4
109.02838	0.2
109.06499	0.2
110.02378	0.2
110.03625	0.2
111.04425	1.6
115.03889	0.1
119.04861	0.1
121.02840	5.5
125.05959	3.9
127.03857	0.4
128.03345	0.1
130.42070	0.1
131.04889	2.7
132.02888	0.1
135.04477	0.1
135.13643	0.1
137.05940	0.9
138.78255	0.1
139.03897	0.4
145.04881	0.1
146.04469	0.6
149.05917	0.1
151.07530	0.6
153.05434	100.0
154.05754	0.5
156.02850	0.2
163.07520	0.8
165.05447	0.6
167.06990	0.2
174.03896	0.7
177.05447	0.5
179.06960	0.5
181.05066	0.1
191.06920	0.4
195.06465	0.9
203.07071	0.1
219.06519	0.4
249.07454	0.2
267.08557	0.2
297.09576	0.2
303.12195	13.1
309.70700	0.1
315.10544	0.1
340.88162	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	596.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39291	0.4
51.11885	0.4
53.00303	0.4
53.03930	0.9
55.01861	13.0
55.05502	15.9
57.03141	0.5
57.03425	14.0
59.04983	0.8
60.02109	0.5
61.02913	4.0
67.05490	23.0
69.03407	4.7
69.07056	15.9
70.04183	0.5
71.01339	1.0
71.04976	4.0
73.02895	4.9
73.12930	0.4
79.05472	17.9
81.03407	3.9
81.07037	26.6
83.04959	9.9
83.08600	7.2
85.02893	6.4
85.06512	0.4
87.04456	0.5
91.03927	0.6
91.05458	12.1
93.07021	17.5
95.04939	11.8
95.08583	11.7
96.05715	2.5
96.29971	0.4
97.02867	4.8
97.06519	6.4
97.10143	8.3
98.07274	1.0
99.04425	0.7
99.08075	0.6
101.05988	0.8
103.05435	0.6
105.07011	8.3
107.04920	5.4
107.08570	9.7
109.02882	3.6
109.05831	0.4
109.06511	7.9
109.10136	12.5
110.07253	0.7
111.04437	2.5
111.08042	3.2
116.04690	9.8
117.06995	5.3
119.04897	0.8
119.08546	9.3
121.06462	3.2
121.10126	5.6
122.07289	0.9
123.04395	5.6
123.08070	3.5
123.11671	0.9
125.05975	0.6
125.09614	6.7
127.03902	0.5
128.06178	0.4
129.05449	30.7
129.06857	3.0
131.04892	0.7
131.08563	4.7
133.06462	1.8
133.10097	5.7
135.04387	0.4
135.08047	3.8
135.11664	4.5
136.08815	0.4
137.05984	1.0
137.09595	8.9
138.10469	0.6
141.09132	0.4
143.07001	7.1
143.08554	2.2
145.06425	0.6
145.10063	4.1
147.08049	2.9
147.11658	4.2
149.09607	3.3
149.13254	1.0
151.07498	1.0
151.11127	0.7
153.09084	1.0
155.10667	2.5
157.06529	0.4
157.08582	16.4
157.10106	3.4
159.11707	2.3
161.09586	3.0
161.13242	0.9
163.11182	2.8
165.09163	1.6
165.12735	0.9
171.10146	5.4
171.11543	0.9
173.09590	0.6
173.11745	1.6
173.13173	0.6
175.11093	3.0
177.12692	1.9
181.12244	0.4
185.09482	0.7
185.11740	0.4
185.13240	0.4
189.11153	3.5
189.12729	0.5
193.12198	4.3
200.14026	0.9
221.11708	6.8
223.13181	0.5
227.12808	0.7
229.14339	2.3
239.12683	5.2
245.19052	1.8
263.20160	0.6
267.15930	0.5
269.17499	2.3
273.18350	5.0
285.10144	0.5
285.17001	0.5
291.19553	2.8
295.15356	2.4
313.16385	2.0
347.22186	0.9
349.23526	0.9
365.23154	9.2
381.22440	0.7
399.23694	100.0
400.24228	0.5
561.28778	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	597.181
Annotation	Aromadendrin 3-rhamnoside-5-glucoside
Peak:m/z	Relative Intensity
53.00301	0.3
53.03923	0.7
55.01860	0.8
55.05495	0.8
56.06932	0.1
57.03424	6.7
58.03745	0.7
59.04995	0.3
60.04511	2.6
61.02913	1.9
67.05479	0.3
67.66087	0.1
68.99751	1.4
69.03411	5.1
70.03729	0.3
71.01319	0.3
71.04970	30.2
72.05302	3.8
73.02885	1.7
73.05365	0.3
73.10807	0.1
75.04456	1.3
79.05476	0.7
81.03393	2.0
81.07020	0.2
82.03738	0.3
83.04955	2.9
85.02882	40.0
86.03209	5.4
87.00818	0.2
87.03312	1.0
87.04430	1.2
91.03914	0.2
91.05448	0.3
95.04946	0.6
95.08592	0.2
97.02870	2.9
98.03177	0.2
99.04433	1.3
105.03378	0.7
105.07002	0.2
107.04939	0.2
107.08602	0.2
109.02834	1.7
110.03183	0.2
111.00763	1.5
111.04412	1.9
113.05924	0.2
117.05447	0.4
121.02832	4.6
122.03149	1.4
123.03565	0.2
123.04383	2.5
127.03854	1.8
128.04222	0.2
128.06082	0.2
129.05452	5.0
130.05783	0.9
131.05891	0.2
133.02849	0.8
135.04372	0.9
137.02301	1.7
137.05956	0.2
138.02629	0.2
145.04958	0.9
145.06372	0.3
146.05304	0.2
147.04391	1.1
147.06482	1.1
148.04720	0.3
149.02316	1.1
149.04846	0.2
151.03853	0.2
153.01790	7.6
153.05434	0.7
154.02139	2.6
155.02371	0.4
157.06491	0.3
158.06726	0.3
163.03857	0.2
163.05936	0.2
165.01787	3.8
166.02167	1.5
167.03416	0.3
171.04347	0.3
173.02243	0.2
179.03352	0.2
183.02847	1.7
184.03178	0.4
185.05907	0.7
186.06337	0.4
191.03290	0.2
195.02756	1.4
196.74884	0.2
203.07030	0.2
209.49910	0.2
213.05412	1.9
214.05826	1.3
215.05931	0.2
217.04770	0.3
219.02829	0.4
231.06429	1.8
232.06718	0.7
239.08972	0.2
241.04932	1.3
242.05241	0.9
243.05806	0.2
245.04279	0.4
255.06264	0.2
258.05142	1.8
259.05792	2.6
259.65402	0.2
260.06070	0.7
261.06436	0.2
263.05453	0.3
269.04272	0.2
270.04877	0.2
271.05817	0.2
283.05923	0.3
287.05420	100.0
288.05756	98.9
289.05972	50.6
290.06448	0.3
305.06378	1.3
311.05310	0.2
329.06491	0.4
330.26270	0.2
347.07574	0.4
349.27734	0.2
391.09982	0.2
402.59338	0.2
409.11115	0.2
415.10052	0.4
447.93881	0.2
450.11185	0.3
451.11948	1.2
464.69882	0.2
596.32349	0.7
597.32452	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.4176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.75108	1.8
54.06731	2.2
55.05485	3.1
57.07071	3.6
67.05525	2.2
71.24436	2.1
79.80350	2.1
81.07030	5.3
91.05463	2.3
93.07031	3.5
95.08578	3.5
105.07037	3.7
107.08607	3.1
117.68525	2.4
119.08550	2.6
121.10162	3.9
135.95612	2.3
157.72450	2.0
189.16287	2.6
266.24075	2.0
283.15070	8.7
339.17844	4.0
430.20554	2.3
595.41742	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.2333
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03428	8.0
57.43150	1.4
61.02908	10.7
69.03415	19.7
71.04976	3.7
73.02891	3.7
79.05425	1.7
81.03406	8.8
81.07064	1.5
85.02891	100.0
88.60389	1.6
91.03912	2.7
95.08566	2.0
97.02885	29.5
99.04436	2.9
105.07034	2.0
107.04940	76.4
107.08607	2.2
109.02861	9.9
111.19354	1.7
127.03876	18.8
127.09988	1.5
133.10117	2.6
143.56683	1.6
145.04935	29.1
149.05984	8.3
153.01837	2.0
161.05882	1.5
163.05962	7.7
167.07196	1.6
176.25537	1.5
219.17270	1.9
255.10069	16.5
434.37677	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	596.3276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.9
55.01860	19.1
55.05272	1.4
55.05504	34.3
56.36449	1.3
57.03423	25.0
57.07064	1.9
59.05006	1.4
61.02911	11.4
64.44266	1.2
67.05489	69.9
69.03417	14.1
69.07047	46.7
70.06567	1.3
71.01321	2.9
71.04965	10.7
73.02876	3.7
79.05470	52.7
80.06248	1.4
81.03384	22.5
81.07036	84.5
83.04963	18.2
83.08616	19.1
85.02890	19.6
85.06515	2.5
91.03937	2.9
91.04958	2.3
91.05463	44.2
93.07015	63.7
95.04935	29.3
95.08585	28.4
96.05721	1.9
97.02869	26.5
97.06498	22.1
97.10155	21.2
99.04405	6.2
99.08057	2.3
100.63695	1.4
105.04443	1.7
105.07012	39.2
107.04941	24.6
107.08569	32.5
109.02869	13.8
109.06492	23.1
109.10144	30.4
111.04421	3.3
111.08044	8.8
113.09612	1.5
116.04672	7.0
117.06986	22.4
119.04914	1.8
119.08563	29.3
121.06449	14.4
121.10133	20.7
123.04401	12.6
123.08023	12.5
123.11691	3.0
125.09628	13.4
127.03831	2.7
129.05434	26.9
129.06970	9.8
131.04871	1.7
131.08554	21.6
133.06425	7.2
133.10106	19.7
135.08035	11.6
135.11653	16.4
137.05984	2.2
137.09601	15.9
143.06999	7.3
143.08484	3.6
145.06438	6.1
145.10101	18.6
147.08005	9.9
147.11644	14.1
149.05945	2.7
149.09575	10.6
149.13213	14.0
153.09068	5.9
155.08554	2.0
155.10617	3.3
157.08575	12.9
157.10075	8.9
159.11656	16.6
161.09615	12.2
161.13231	2.5
163.11147	8.8
165.09016	2.1
165.12704	2.9
169.10002	1.8
171.10126	3.7
171.11591	3.2
173.13188	2.5
175.11171	6.7
176.88696	1.6
177.12697	10.6
189.11197	3.6
191.10638	2.7
193.12158	10.5
195.13750	3.7
221.11656	8.1
227.12865	2.8
229.14307	5.9
239.12692	2.4
245.19138	1.9
269.17407	46.6
269.59213	1.6
273.18442	17.8
275.20056	7.6
289.18106	2.2
291.19437	10.3
295.15405	3.2
313.16351	8.6
349.23694	10.5
365.23135	49.2
381.22250	2.2
381.26483	3.3
383.23956	2.3
399.23706	100.0
413.22055	2.1
431.23187	1.6
498.82788	1.6
585.55219	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	595.2875
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21877	1.8
51.25724	1.6
51.26240	1.6
53.03915	2.2
55.05500	18.8
55.06864	2.1
57.03421	12.3
67.05490	62.6
69.07051	15.2
71.92295	1.6
79.05473	31.1
81.07040	46.0
83.04979	2.2
83.08597	4.1
85.02873	1.8
91.05458	17.8
93.07021	34.0
95.02280	1.6
95.04946	9.9
95.08585	37.7
97.06562	2.3
97.10150	3.5
98.98431	8.4
99.08075	2.2
105.07007	9.6
106.07394	2.0
107.08595	14.0
108.44763	2.3
109.10143	14.6
117.06993	2.4
119.08568	10.2
121.10120	10.8
123.11646	2.5
125.09502	1.7
131.08575	7.6
133.10097	7.9
135.11662	3.7
145.10072	2.9
147.11682	3.4
149.13254	2.4
186.78868	1.8
189.05118	1.9
191.24649	1.9
223.13144	2.1
291.01352	2.2
335.25726	100.0
398.46744	2.3
595.30023	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	595.1652
Annotation	Datiscin
Peak:m/z	Relative Intensity
55.01864	0.2
57.03421	2.3
58.17636	0.1
61.02890	0.6
62.24274	0.1
64.44865	0.1
68.99773	0.3
69.03423	1.6
71.04973	9.4
72.52821	0.1
73.02891	0.2
73.98881	0.1
75.04443	0.3
81.03371	0.7
83.04950	0.3
85.02886	12.8
87.04440	0.3
87.56822	0.2
97.02879	1.2
100.95653	0.1
107.79128	0.2
109.02855	0.6
110.17445	0.1
111.00778	0.7
111.04418	0.3
111.38293	0.1
121.02848	2.1
127.03871	0.8
129.05444	1.4
133.02814	0.4
137.02318	0.2
145.04929	0.3
147.04362	0.6
148.42947	0.1
153.01801	2.8
157.51651	0.2
157.80939	0.1
165.01794	1.5
167.35457	0.2
171.04301	0.2
183.02844	0.7
213.05400	0.8
223.89522	0.1
231.06409	0.9
241.04781	0.7
258.05118	1.5
259.05951	0.2
269.04514	0.2
287.05429	100.0
288.05673	1.0
449.10223	0.5
546.06873	0.2
558.42676	0.2
570.18872	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1653
Annotation	Datiscin
Peak:m/z	Relative Intensity
50.02715	0.1
52.22442	0.1
53.03928	0.3
55.01857	0.1
55.05504	0.3
57.03177	0.2
57.03426	3.5
59.87808	0.1
68.99777	0.2
71.04971	20.3
71.93340	0.1
72.08139	0.1
73.02888	0.5
75.04448	0.8
83.04948	0.6
85.02884	17.6
87.04454	0.2
99.04430	0.2
109.02842	0.2
111.00801	0.8
111.04389	0.5
121.02831	2.6
127.03860	0.2
129.05453	2.4
133.02811	0.5
137.02278	0.6
146.42816	0.1
147.04359	0.7
147.06477	0.5
149.23688	0.1
151.03879	0.1
153.01813	3.1
157.06429	0.3
163.03845	0.1
165.01758	1.9
181.00275	0.1
183.02827	0.8
185.05960	0.5
202.62134	0.1
213.05405	1.3
231.06529	0.7
241.04831	0.9
258.05136	1.5
259.05939	0.3
269.04337	0.2
274.36343	0.1
287.05423	100.0
288.05707	0.8
362.82605	0.1
419.19189	0.1
449.10693	9.0
553.11261	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	595.1654
Annotation	Multiflorin B
Peak:m/z	Relative Intensity
50.36579	0.6
53.58798	0.5
55.01866	0.9
57.03418	2.6
57.61625	0.6
59.04418	0.6
61.02911	2.8
65.03923	0.6
65.91470	0.5
67.05505	0.7
68.99780	1.2
69.03413	4.9
70.20615	0.6
71.05003	0.6
76.56027	0.8
79.05466	0.8
81.03389	4.0
85.02891	15.7
85.06520	2.6
89.06015	1.6
89.35957	0.8
91.05454	1.0
95.04903	0.9
97.02864	3.1
97.06510	1.4
97.10493	0.7
105.06956	0.7
107.04948	1.4
107.08558	1.1
109.02848	3.6
111.04428	1.2
119.04922	7.3
121.02837	23.7
121.06481	1.3
123.04440	1.3
127.03865	1.2
129.06978	0.8
131.08574	3.0
131.35309	0.7
133.10139	0.7
137.02344	0.8
139.03873	1.0
145.02837	2.7
145.04982	0.7
145.10118	0.8
147.04376	5.4
149.09621	2.9
151.03876	100.0
161.02290	0.8
163.03909	1.6
167.10713	0.7
175.03822	0.7
177.01823	0.9
177.61421	0.7
179.03299	0.9
181.04974	1.5
189.01761	6.4
191.03391	4.1
191.10617	1.5
195.02905	3.6
201.05437	1.2
203.03308	6.2
205.04951	1.3
207.02852	6.1
207.08717	0.7
209.04532	0.9
209.11653	3.6
213.05423	0.8
215.03485	1.3
217.04900	3.0
219.02863	4.1
221.04485	2.7
227.03468	0.8
227.12767	5.8
229.04860	3.0
231.02751	1.1
233.04387	3.6
243.02864	0.9
249.09749	3.8
250.09818	0.9
251.07008	0.9
251.09532	0.7
255.02829	2.7
256.07123	1.1
257.04449	1.5
267.06406	1.2
267.10727	5.9
268.07239	3.8
268.10916	3.1
269.10626	1.2
271.09595	52.6
273.04202	0.8
279.06503	4.3
280.07181	1.6
281.05048	0.8
281.07922	5.3
283.05972	4.0
285.03815	1.4
291.06390	1.2
291.10574	0.9
293.07916	3.2
294.05173	15.2
294.08316	1.1
295.05957	56.4
295.09177	2.0
296.06689	6.1
297.07510	8.1
307.05939	31.8
307.09366	1.7
308.06790	10.3
309.04169	1.2
309.07529	8.0
309.11374	2.3
313.06961	4.1
317.07813	1.0
319.05984	4.7
320.06680	2.7
321.07489	16.9
322.08246	8.9
323.05664	2.3
323.09012	3.5
325.06979	55.6
329.07990	1.1
333.07538	4.4
335.05423	1.2
335.08945	9.3
336.06116	1.4
337.06973	33.8
337.11029	1.3
338.07678	1.1
339.08597	1.6
345.07336	1.6
346.08313	1.6
347.09033	6.8
349.06961	19.3
351.08646	12.2
355.08020	8.7
357.07379	1.4
361.06866	8.4
361.10794	2.3
363.08417	4.1
365.10172	8.8
367.07980	3.1
373.07059	4.3
375.08652	6.4
379.08035	28.7
385.07004	2.8
389.10019	2.9
391.08005	17.3
393.09521	1.3
401.09921	1.1
403.07965	13.6
409.09094	16.0
411.14914	8.9
412.15088	3.9
413.09973	0.9
413.14920	1.5
415.08527	1.1
421.09103	10.6
427.10052	12.9
433.09616	1.1
433.14938	7.6
439.10031	9.5
445.09705	1.6
457.11203	36.6
463.10019	2.8
475.12384	9.0
481.11249	10.2
487.10593	1.0
493.11145	1.1
499.12170	9.0
505.11002	1.6
511.12189	8.9
523.12256	9.7
529.13055	5.7
541.13019	9.8
559.14392	11.9
577.15210	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	595.1651
Annotation	Tricetin 3'-rhamnosyl-(1->4)-rhamnoside
Peak:m/z	Relative Intensity
53.00288	0.4
53.03934	0.8
55.01854	0.8
55.05504	3.9
57.03429	11.5
57.27163	0.4
59.04980	0.7
61.02911	0.6
61.05472	0.3
67.01892	0.4
67.05488	0.9
69.03412	5.2
71.01320	1.7
71.04975	66.5
73.02898	9.9
75.04459	2.7
79.05471	0.7
81.03391	1.8
83.04462	0.5
83.04962	16.0
85.02888	69.9
85.06491	0.5
87.04437	1.5
89.85918	0.3
91.37430	0.4
93.03377	0.6
95.04955	3.4
97.02846	0.7
97.06496	0.7
99.04433	4.1
109.02857	2.7
111.00790	0.7
111.04417	9.2
113.06001	0.9
117.05466	4.8
121.02814	1.9
121.06493	0.8
123.04413	0.7
126.09078	0.4
127.03881	1.8
129.05453	13.3
137.02318	4.9
147.06502	4.8
153.01810	5.5
153.05440	2.7
157.04977	0.7
163.03876	0.5
163.05948	5.2
165.01814	2.9
165.05502	0.4
171.06519	1.6
173.05940	0.5
173.37146	0.5
183.02803	1.6
183.04451	0.4
183.06367	0.5
201.05446	1.8
201.07495	0.9
219.06711	0.6
229.04927	5.8
239.09099	2.5
247.06009	0.9
257.04398	3.8
257.10120	0.5
275.11319	1.5
285.03983	0.7
287.05417	12.1
303.04926	100.0
304.05313	0.6
315.04898	2.7
327.04810	0.5
345.06046	4.2
369.06143	0.9
395.07568	0.9
413.08508	2.4
431.09232	0.6
449.10889	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	595.1654
Annotation	Datiscin
Peak:m/z	Relative Intensity
53.03938	0.1
55.01857	0.1
55.05503	0.1
57.03426	2.1
59.04986	0.1
61.02634	0.1
61.02916	2.4
64.06136	0.1
68.99769	0.4
69.03402	0.5
71.04976	10.4
73.02901	0.9
75.04460	0.2
78.25529	0.1
80.52009	0.1
81.03418	0.2
83.04955	0.4
84.11764	0.1
85.02887	11.7
87.04436	0.1
91.03922	0.9
97.02885	1.2
99.04439	0.2
105.03339	0.2
107.04948	0.2
109.02848	0.2
111.00816	0.6
111.04411	0.4
121.02835	2.3
127.03885	0.5
129.05461	1.6
133.02858	0.5
135.04390	0.2
135.46461	0.1
137.02307	0.7
145.04921	0.1
145.06461	0.1
145.88962	0.1
147.04385	0.6
147.06522	0.5
153.01805	3.5
153.02992	0.2
157.06461	0.5
161.02272	0.1
165.01801	1.9
171.04355	0.1
172.59904	0.1
183.02870	0.7
185.05930	0.4
189.05334	0.1
192.80634	0.1
197.05911	0.1
203.06891	0.1
213.05414	1.4
231.06429	0.7
241.04904	1.0
258.05124	1.0
259.05954	0.4
261.60068	0.1
265.29123	0.1
287.05435	100.0
288.05765	0.6
316.01941	0.1
449.10501	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	594.3117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	18.8
61.02919	3.6
67.05486	18.5
69.03413	4.6
69.07050	20.2
71.04990	4.5
74.96111	2.9
79.05469	16.2
81.03417	5.3
81.07040	57.0
83.08578	5.0
85.02883	31.7
85.06536	5.2
91.05466	25.0
93.07014	61.2
95.04946	4.4
95.08574	69.0
97.02874	6.9
97.06516	6.6
97.10155	3.8
100.58171	3.5
105.06998	59.4
107.08582	71.0
109.06512	5.5
109.10150	35.9
111.08021	3.9
111.11691	2.9
117.06974	5.8
119.08558	61.4
121.10102	28.3
122.80990	3.1
123.11682	4.4
125.09550	4.4
127.03891	6.5
131.08574	4.9
133.10101	76.1
135.11644	37.6
145.10066	3.8
147.04404	3.5
147.11656	50.2
151.07573	4.4
153.01781	3.8
157.10181	4.8
161.09557	3.3
161.13263	22.2
165.09073	3.6
173.13248	4.6
175.11105	3.1
175.14795	6.4
179.10660	12.3
187.90355	3.1
189.16331	100.0
199.14746	4.1
217.15825	26.5
235.16856	31.7
253.17874	3.4
310.13797	3.8
349.50116	3.5
379.21109	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	594.385
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.9
55.05505	27.1
57.03421	21.1
63.26192	3.0
67.05252	2.3
67.05491	39.2
68.88443	2.9
69.07051	5.3
71.05000	3.6
75.11395	3.0
79.05478	47.3
81.03401	100.0
81.07037	44.2
83.04967	5.5
83.08600	26.5
85.06516	3.2
90.93504	2.8
91.05463	20.3
93.07028	30.0
95.04939	37.8
95.08591	20.6
97.02827	5.1
97.06543	4.5
97.10151	26.9
105.06992	22.1
107.04949	22.2
107.08615	24.2
109.06504	12.7
109.10147	12.7
111.08086	7.1
117.07032	11.8
119.08556	26.6
121.06462	19.1
121.10091	12.7
123.08038	5.7
125.09586	22.6
129.06976	13.4
131.08543	13.4
133.06522	4.5
133.10075	5.4
135.08022	5.1
143.08614	3.6
145.06461	11.7
145.10110	13.1
147.04372	4.6
147.07993	6.1
147.11694	7.3
149.09576	6.6
157.06500	5.6
157.10124	7.8
163.11095	4.2
171.08054	3.9
173.13281	3.4
174.87794	3.4
175.11182	14.2
183.60338	3.3
189.11195	12.6
193.12175	23.9
197.13263	4.6
199.11099	3.8
215.14325	3.9
241.95839	3.4
267.15878	44.5
273.14819	7.1
286.03775	3.5
300.31619	3.1
349.21350	6.6
367.22824	25.6
385.23712	38.8
403.24838	5.7
441.26144	5.2
459.27414	99.0
461.67477	3.6
477.28360	88.8
491.29681	7.6
587.20544	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	595.1084
Annotation	7,4'-di-O-galloyltricetiflavan
Peak:m/z	Relative Intensity
50.06999	0.5
52.77780	0.6
55.01856	0.6
60.30513	0.6
61.77209	0.6
63.86671	0.6
66.80931	0.6
66.81348	0.5
68.99760	0.6
79.01817	4.6
80.59535	0.5
83.65068	0.7
85.02872	1.6
88.91328	0.7
91.05444	1.0
93.05962	0.7
93.07008	0.7
95.04933	0.9
97.02868	1.1
98.32273	0.7
99.04405	0.9
106.22518	0.6
107.04909	0.6
111.00786	3.0
111.04436	0.9
114.98705	0.6
119.04871	0.7
123.03519	1.4
123.04406	27.9
124.20567	0.6
125.02319	4.3
135.04376	3.6
139.03880	39.6
140.04196	1.4
143.03381	7.3
147.04399	6.3
151.03893	1.1
153.01808	100.0
153.02884	4.8
163.03809	3.3
169.25850	0.7
175.57111	0.7
243.00574	0.7
273.07523	19.8
287.05460	4.0
290.07422	1.1
425.08481	1.5
495.43372	0.7
495.51517	0.7
547.72205	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	592.4208
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.5
54.81542	2.2
55.01869	3.0
55.05510	30.4
57.03425	11.7
57.42746	2.8
60.28530	2.3
65.03918	4.3
65.97403	2.3
67.05495	73.8
69.07054	18.4
71.05008	2.7
79.05480	92.3
81.03370	4.6
81.07042	86.7
81.58228	3.0
83.04962	11.7
83.08622	3.8
85.06535	4.4
91.05465	100.0
93.06487	4.9
93.07028	99.6
95.04947	27.0
95.08592	53.8
96.05263	2.6
97.06534	3.1
97.10145	3.1
103.05513	3.1
105.07019	85.5
107.04916	6.3
107.08588	52.3
109.06497	5.0
109.10136	16.6
117.07008	26.5
119.08566	67.3
120.08865	3.5
121.10088	26.3
123.08025	4.3
123.11668	3.6
129.06982	23.4
131.08534	29.3
133.10095	41.8
135.11714	12.6
136.80939	2.9
142.07822	3.5
143.08545	17.0
144.75514	2.5
145.10144	25.1
147.11678	42.9
149.13200	4.4
157.10089	11.8
158.10690	2.6
159.11697	19.0
161.09578	3.5
161.13220	26.3
171.11682	20.9
173.13225	6.5
175.14819	3.8
185.13268	6.1
187.14796	2.9
207.13805	5.6
241.19499	16.4
259.20560	35.0
279.15768	4.5
281.17450	23.3
308.72696	3.3
333.24341	22.0
337.94196	2.9
347.86813	3.3
447.32672	3.6
539.36884	26.3
557.38269	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	592.3688
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49718	3.8
53.03939	7.0
53.20685	3.6
55.01858	23.5
55.05506	46.3
57.03426	17.3
57.07079	5.7
59.77896	3.5
62.00755	4.1
62.17442	3.6
67.05492	72.6
69.03412	5.9
69.07066	19.6
71.04977	20.5
73.27682	3.6
74.60706	3.7
78.30340	3.7
79.05473	76.0
81.03399	75.3
81.07021	62.3
83.04956	34.0
83.08613	29.5
84.69141	3.7
85.02899	21.3
91.05458	77.5
92.64797	3.9
93.07013	59.4
95.04945	49.8
95.08588	25.1
95.19848	4.6
97.06504	20.7
97.10151	22.6
98.03663	22.6
99.04424	6.2
105.07008	51.6
107.04956	31.1
107.08572	28.3
109.06499	8.5
109.10174	6.5
111.04430	9.0
111.08079	9.7
113.05996	4.9
117.07005	9.3
119.08543	34.6
121.06471	7.3
121.10130	22.2
123.08055	4.4
125.05960	4.2
125.09572	24.1
128.06194	3.7
129.06990	16.6
131.08533	31.1
133.10133	21.6
135.08072	4.8
135.11642	8.8
145.10088	19.5
145.46802	3.7
147.11690	15.3
149.09639	9.6
153.09096	4.3
153.12749	9.2
155.08449	4.3
157.10104	17.9
163.11206	19.3
165.12715	4.3
171.06522	5.3
175.11217	10.2
181.05182	4.1
181.56171	4.6
193.12242	40.8
207.86853	4.8
211.13263	23.3
226.81998	5.2
227.12720	10.2
227.97017	4.3
239.06227	4.2
243.70290	4.5
258.59109	6.0
267.15973	9.6
283.15161	4.7
285.16763	6.7
476.27640	5.4
493.27658	23.4
494.28629	8.1
511.28854	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	591.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25783	0.4
53.03917	0.9
55.01864	1.0
65.03918	0.9
67.05484	2.7
68.99794	0.5
69.03426	0.6
71.04958	0.9
71.31212	0.6
79.05468	7.8
81.03400	0.7
81.07011	1.4
85.02893	1.0
90.27177	0.6
91.05428	2.8
91.06258	0.6
93.07012	1.4
95.04939	6.7
103.05451	8.7
104.05785	1.0
105.07013	2.5
105.80486	0.6
107.04932	71.7
107.08549	1.1
109.06464	2.5
109.42171	0.7
119.04916	7.0
120.05681	0.7
121.02847	0.8
121.06495	4.7
122.03606	1.3
123.04398	13.1
125.05988	7.8
131.03351	0.8
131.04890	17.1
132.05232	3.9
132.70633	0.6
133.02806	0.8
135.04378	4.6
135.05421	2.0
137.05945	100.0
138.06287	0.9
141.06987	1.0
147.04372	5.2
149.05966	0.8
151.03883	5.5
152.06174	0.7
153.01794	3.4
153.05435	14.2
153.06677	1.0
155.08540	0.8
157.06435	1.2
161.05980	2.6
163.07515	3.9
164.07816	1.0
165.05449	31.8
165.06917	2.9
166.06206	44.8
167.06758	0.8
177.05411	4.1
181.04944	0.8
181.06413	0.9
183.08037	1.1
187.07503	1.2
193.04861	0.9
197.05882	1.3
198.06668	0.8
200.04584	0.6
201.05331	0.9
201.09099	0.9
210.06773	1.5
211.07542	1.2
215.06973	3.1
225.09160	1.0
228.04079	4.4
228.07420	0.7
229.04478	2.7
230.04639	0.9
239.07103	0.8
241.08501	2.9
243.10039	5.2
244.03627	1.1
253.08418	1.2
255.10071	4.6
256.07166	0.8
257.03934	0.7
257.07947	0.7
259.05917	3.6
260.06329	2.2
261.06732	1.0
269.07996	1.4
271.05966	15.6
271.09341	2.3
272.06290	16.1
272.09229	0.9
272.10245	0.5
273.06458	10.3
283.09677	1.0
285.07364	2.7
287.08990	2.7
288.09683	0.8
299.08994	3.3
301.10635	7.5
304.08502	0.8
317.10071	9.7
323.13812	0.7
407.14880	1.3
423.13339	0.9
436.88324	0.6
439.10312	1.4
440.10394	3.7
441.10779	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	592.1445
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81477	0.9
55.01864	2.3
60.05471	0.9
68.99780	7.4
69.03378	0.9
74.52216	0.9
81.03413	1.3
85.02872	1.7
86.05199	1.1
91.05453	1.6
95.04952	2.0
100.11237	3.8
103.05511	1.0
103.46011	1.0
105.03412	1.2
107.04926	1.0
111.00790	1.3
115.05439	2.3
121.02823	1.4
123.04406	72.5
127.03880	1.3
131.04912	4.9
131.20224	1.1
133.06429	1.1
135.04413	2.3
136.36728	0.9
137.02284	2.0
139.03897	7.9
143.05080	1.0
145.02852	1.7
145.06396	1.5
147.04391	7.5
149.02336	3.7
150.03136	1.7
151.03819	7.4
157.12160	1.0
159.04385	4.0
161.05983	2.4
163.03860	12.5
165.01836	1.2
167.03485	1.0
171.04341	9.4
173.05891	1.5
175.03867	8.2
179.03371	7.6
183.04437	1.3
187.03864	5.4
189.05354	8.0
193.04929	4.4
199.03929	11.1
201.05450	6.1
203.03354	14.6
205.04971	1.8
213.05435	4.4
215.03331	1.6
217.04915	13.1
229.04962	4.9
231.06404	1.5
241.04947	7.8
242.05580	1.1
245.04398	100.0
247.06012	4.8
253.05002	4.3
257.04358	3.9
259.06061	1.6
263.06848	1.9
269.04449	7.5
271.05850	1.8
273.23120	1.0
281.04395	2.3
285.04111	3.5
287.05368	7.7
309.03659	1.4
311.88895	1.2
335.05515	1.2
349.06900	1.9
361.07098	1.1
365.06815	1.7
377.06522	2.1
389.06628	1.5
395.07550	1.4
405.05939	7.3
407.07468	20.2
419.07727	5.4
435.07092	1.8
437.08685	1.3
488.80563	1.3
539.09961	1.9
557.10553	6.0
575.11609	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4621
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81591	2.8
55.01855	2.4
55.05487	17.6
57.03431	25.8
57.07070	44.1
67.05489	25.5
69.03428	2.8
69.07039	15.7
71.04947	2.4
71.08614	37.8
79.05466	14.6
81.02930	4.7
81.03396	100.0
81.07024	33.7
83.04974	5.4
83.08594	25.9
85.10159	23.0
89.06004	4.0
91.05462	23.2
93.07005	14.3
95.04933	26.7
95.08584	31.4
97.10168	4.5
105.06998	16.8
107.04910	3.1
107.08569	6.1
109.06520	3.5
109.10132	12.1
111.08013	4.9
119.08479	18.7
121.10078	5.2
129.06966	13.5
131.08504	4.0
133.06462	3.5
133.10074	5.1
147.08072	3.2
147.11673	4.0
149.09549	3.0
157.10083	12.3
175.11136	10.6
177.01634	2.5
193.12175	27.7
267.15842	94.9
313.27280	91.6
505.38831	80.5
547.53284	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	590.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.6
54.44224	0.9
55.01852	1.3
55.05503	13.4
57.03174	1.4
57.03426	24.4
57.07066	44.1
58.00760	0.8
59.65894	0.8
64.93056	0.9
66.56370	1.0
67.05489	22.2
69.03429	1.1
69.07059	10.2
71.04966	2.2
71.08250	1.5
71.08615	33.8
75.10316	0.8
79.05472	14.1
80.33384	1.0
81.03398	98.2
81.06596	1.3
81.07040	23.9
82.62742	0.9
83.04942	5.1
83.08601	26.4
85.06515	1.2
85.10162	20.6
89.05997	1.7
91.05457	17.7
93.07014	10.3
95.04946	23.9
95.08587	23.9
96.36047	0.9
97.02859	1.2
97.06512	1.0
97.10139	6.1
105.07018	15.6
107.04945	7.5
107.08569	5.8
109.06487	4.4
109.10141	11.9
111.04414	1.2
111.08057	6.5
117.34111	1.0
119.08543	15.8
121.06480	1.5
121.10092	4.1
123.08051	1.4
123.11638	2.0
129.06958	9.3
131.08521	8.5
133.10127	6.9
137.09554	1.1
137.13243	1.6
142.07730	2.5
145.10052	2.0
147.08008	1.6
147.11681	8.7
149.09599	6.3
157.10126	10.4
161.13316	1.5
163.11130	1.7
165.12767	2.1
175.11148	7.9
193.12207	30.3
239.23669	2.4
253.90308	1.1
257.24646	1.6
267.15851	98.1
303.93231	1.1
313.27301	100.0
505.38763	83.9
505.46359	2.1
506.39493	1.3
553.17023	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.405
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	4.8
53.03930	8.5
55.01863	9.6
55.05504	34.9
57.03436	5.5
57.07043	4.5
59.64823	4.1
63.65164	3.6
66.53216	3.5
67.05491	67.9
69.07065	39.0
71.04964	5.3
73.14253	3.8
76.14178	3.3
79.05474	65.8
81.03411	6.3
81.07039	99.6
83.04980	17.3
85.06527	5.3
91.05456	79.1
93.07030	80.1
94.92024	4.1
95.04932	28.5
95.08582	57.8
97.06516	25.5
105.07014	100.0
107.04948	17.8
107.08566	53.2
109.06512	6.0
109.10147	22.1
117.06960	13.1
119.08560	66.5
121.06470	4.6
121.10129	20.9
124.37228	3.8
129.06953	6.4
131.08530	29.4
133.10107	51.3
135.07922	4.5
135.11652	8.4
140.10680	3.5
143.08580	15.8
144.51314	4.0
145.10112	24.5
147.11668	30.9
148.53957	3.9
156.33952	4.1
157.10078	4.5
159.11713	30.2
161.13257	9.4
163.11162	7.2
171.11679	9.3
173.13211	5.9
183.11707	5.0
189.26122	4.2
197.13200	5.5
207.13840	4.9
265.26721	3.9
275.19983	46.9
281.17508	26.4
349.23779	5.8
555.36688	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.4619
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	16.6
57.03423	30.8
57.07066	68.4
67.05484	36.6
69.07036	26.5
71.08622	41.5
79.05480	30.9
79.43094	3.8
81.03399	74.3
81.07025	42.8
83.08611	29.5
85.10168	29.8
91.05446	38.9
92.08600	5.3
93.07012	27.8
94.56732	3.9
95.04930	20.8
95.08581	44.2
97.10131	4.3
102.48694	4.0
105.07006	44.3
107.08561	15.6
109.10128	17.7
119.08552	35.1
121.10137	8.6
129.06982	7.0
131.08522	19.4
131.53658	4.2
133.10101	16.7
143.08446	5.1
147.11673	25.2
157.10152	8.0
161.13196	5.2
175.11104	6.8
193.12190	21.1
241.19379	5.3
259.20474	19.8
260.20874	8.6
267.15836	88.2
313.27267	100.0
314.27484	14.2
333.24207	8.0
334.24567	6.8
384.65280	3.9
449.41559	5.0
505.38745	78.5
590.47906	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	590.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.9
55.01875	1.0
55.05507	1.3
64.53111	0.6
65.03923	1.3
67.05486	3.5
69.03375	0.5
69.07055	2.7
78.04704	0.7
79.05471	6.1
80.55957	0.6
81.07047	7.1
82.07375	0.9
83.04926	0.8
86.45902	0.6
91.05458	22.6
93.07030	5.9
94.42285	0.6
95.04936	7.4
95.08588	5.4
105.04459	1.3
105.07018	12.1
106.04133	1.3
107.04939	65.6
107.08566	4.6
108.44253	0.6
109.06493	1.5
109.10149	1.4
111.04440	0.8
117.07006	2.5
119.04919	2.7
119.08572	6.3
121.02859	0.8
121.06478	60.0
121.10154	2.8
123.08022	0.9
128.06256	0.7
131.04918	5.0
131.08575	3.5
133.06459	5.2
133.10095	2.8
135.08038	1.0
135.11716	0.7
137.05968	4.1
139.07527	11.6
143.08551	1.1
145.06479	2.6
145.10120	4.1
147.11681	3.2
149.05983	2.3
149.07114	2.5
151.03967	2.6
151.07518	100.0
157.10085	1.1
159.11665	1.4
161.13278	1.1
163.07524	0.8
167.07013	0.8
167.12927	0.6
173.13246	1.2
175.07542	2.6
179.07013	2.8
181.08536	5.8
181.09946	0.7
182.07275	0.7
187.14848	0.9
211.14696	0.8
225.09093	0.9
226.09840	0.9
242.09253	0.9
257.11676	12.7
268.13440	0.7
269.07907	0.6
269.09225	0.7
269.11682	6.5
570.54852	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	590.2378
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00735	0.3
55.01861	0.7
57.62488	0.3
65.03922	0.5
67.05521	0.3
68.99781	0.4
79.05470	1.4
81.03410	0.4
81.07027	0.4
85.02885	0.5
86.73891	0.3
91.05460	4.6
91.17921	0.3
93.03378	0.8
93.07022	0.5
94.04168	0.5
95.04918	1.1
97.02859	0.6
97.06502	0.4
97.38023	0.3
103.05434	1.5
105.07021	2.7
106.97838	0.3
107.04937	26.6
109.06535	0.5
111.04413	0.5
119.04916	32.6
121.02872	2.6
121.06487	3.7
123.04426	2.3
125.05946	4.2
131.04901	4.1
133.06445	4.9
135.04439	0.5
137.05949	6.0
139.03860	0.4
145.06444	0.6
147.04390	17.6
147.08011	0.5
149.05965	2.4
150.06659	0.4
153.05441	100.0
154.05737	0.4
154.88707	0.3
155.08513	0.4
157.06458	0.8
159.08028	0.8
163.07507	1.9
165.05447	3.5
165.06955	2.6
167.08521	0.4
171.08002	0.6
172.08501	0.3
177.05440	1.7
181.04845	0.5
182.07262	0.5
183.07996	2.0
183.77042	0.3
185.05676	0.4
193.05009	3.4
197.09462	0.4
210.06776	1.9
211.07564	2.6
212.08311	0.4
225.09073	1.9
228.07654	0.4
239.06990	6.2
243.10097	10.7
253.08507	3.3
257.08041	3.9
271.09579	27.3
281.08066	1.3
299.09070	31.8
303.12207	7.6
391.44363	0.3
407.14630	0.7
413.29846	0.3
423.14267	13.8
440.09409	0.4
449.15884	1.4
499.17233	0.4
540.68121	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.4822
Annotation	Unknow
Peak:m/z	Relative Intensity
54.76892	5.3
55.05499	11.5
57.03425	15.2
57.07064	74.5
60.23786	5.9
66.57166	5.9
67.05495	68.4
69.07045	29.1
71.08617	54.6
73.75149	5.9
79.05492	52.0
79.05847	6.1
81.07031	74.4
83.08574	9.6
85.10140	9.1
91.05456	66.7
93.07023	65.9
95.08587	71.9
97.03799	7.3
105.07005	75.0
107.08569	44.9
109.10126	30.2
117.07033	23.0
119.08569	65.7
121.10090	16.4
129.06981	7.4
130.54535	6.4
131.08536	34.8
133.10135	60.9
135.11655	26.7
145.10101	30.0
147.11687	49.6
157.10091	7.3
159.11629	9.1
161.13242	33.4
185.13208	13.9
191.54343	6.5
231.21028	9.2
241.19450	30.5
250.29657	6.5
259.20514	72.1
313.27310	100.0
333.24182	47.6
334.97101	8.5
344.12222	7.4
435.38034	7.1
494.85043	7.7
524.22021	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	589.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
58.20677	1.0
67.05505	2.2
79.05469	1.4
81.07032	2.0
83.63018	1.0
88.28436	1.1
89.66085	1.1
91.05456	8.4
92.64429	1.2
93.07019	1.8
95.04947	5.2
95.08600	1.3
103.05436	5.9
103.95645	1.3
105.07036	2.2
107.04937	53.3
119.08591	1.1
121.06484	26.2
131.04919	13.1
134.34267	1.2
135.04436	2.1
135.08015	2.3
137.05945	5.5
139.07495	7.9
149.05940	4.5
149.07039	1.5
151.07518	100.0
151.70210	1.2
153.05504	3.6
163.07495	5.1
165.05418	5.0
175.07483	1.6
177.05428	4.7
195.08049	1.8
201.09105	5.4
213.09264	1.4
218.60696	1.5
227.10628	1.8
229.08565	5.1
241.08490	1.5
269.11612	1.9
283.09598	14.9
284.10468	1.5
301.10349	1.4
315.12228	33.0
381.45572	1.2
421.16443	16.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53711	0.4
53.03925	0.6
55.01857	0.5
55.05500	0.5
57.15936	0.4
63.75682	0.4
66.73483	0.5
67.05473	2.2
70.84885	0.4
79.05450	1.9
81.07030	3.1
91.05462	9.7
93.07015	3.3
95.04928	2.9
95.08546	1.0
103.05441	3.1
103.51093	0.4
105.06995	3.1
107.04934	4.4
107.08582	1.1
109.06448	0.6
109.10135	0.9
114.36042	0.6
115.90220	0.4
119.04974	0.5
119.08524	2.0
121.06482	29.8
121.10120	1.1
131.03340	0.6
131.04913	7.4
131.08527	0.7
131.61914	0.5
132.51941	0.5
133.10098	1.0
135.48416	0.6
135.49442	0.5
137.05927	0.6
139.07520	10.2
141.25664	0.5
143.02016	0.5
143.08536	0.5
145.10114	0.9
147.11691	0.7
149.07060	2.1
151.07520	100.0
153.05444	8.4
157.10114	0.7
163.07475	0.7
165.05495	0.8
171.04312	0.9
186.55736	0.5
199.91235	0.5
251.06853	0.5
257.08057	1.0
269.11893	0.5
283.09592	2.6
303.12061	1.7
407.15311	0.6
421.16525	2.6
607.89856	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2424
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01855	0.5
57.94527	0.5
67.05486	1.0
69.07014	0.9
69.53399	0.7
69.90659	0.6
73.75504	0.6
76.06527	0.6
79.05442	1.1
81.07021	2.6
91.05465	8.7
93.07014	1.3
95.04925	2.4
95.08582	1.3
103.05434	2.8
105.06993	3.0
107.04914	6.2
107.08543	0.9
109.10136	0.7
115.40955	0.7
119.08533	1.2
121.06473	32.6
123.08003	0.7
124.42881	0.7
131.03378	0.8
131.04903	5.5
131.08502	0.9
137.05914	1.0
139.07524	10.6
145.10135	1.0
151.07516	100.0
153.05455	8.5
171.04347	0.9
175.14661	0.6
182.46254	0.6
204.29466	0.7
223.60178	0.8
283.09622	3.9
303.12219	1.1
394.22159	0.7
413.33658	0.8
421.16391	0.8
473.06445	0.7
487.08942	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.4
54.15568	0.2
54.58609	0.2
56.92806	0.2
59.96558	0.2
65.03915	0.9
67.05479	0.4
77.03895	0.3
78.04663	0.3
78.87517	0.2
79.05470	1.0
79.75369	0.2
81.03364	0.2
81.06993	0.4
91.05461	8.7
93.03381	0.5
93.07001	0.4
94.04127	0.2
95.04940	2.0
97.06485	0.2
101.17045	0.2
103.05476	0.3
105.04498	0.3
105.07009	0.9
106.04153	0.9
107.04936	7.7
107.08569	0.4
109.06483	0.3
111.04430	0.3
119.04935	0.3
121.02821	0.3
121.06478	30.6
123.08053	0.4
125.05981	0.9
131.04883	0.9
131.08623	0.2
132.69107	0.2
137.05948	4.1
139.03915	0.3
139.07516	8.9
145.10092	0.2
149.05984	0.4
149.07074	1.8
151.07516	100.0
152.07898	0.3
153.05435	16.7
159.89746	0.2
163.07484	0.3
165.05391	2.2
229.77504	0.2
257.08087	0.5
283.09637	0.8
287.05612	0.2
287.12915	0.4
303.12228	2.3
406.06549	0.3
421.16339	2.0
439.17160	0.2
555.30054	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1697
Annotation	Unknow
Peak:m/z	Relative Intensity
54.38545	0.2
55.01849	0.3
55.05496	0.4
56.96534	1.1
67.05479	0.5
67.31501	0.2
69.03417	0.6
69.07037	0.4
70.27321	0.2
79.05454	0.4
81.03369	0.5
81.07028	0.6
83.04952	0.3
85.02863	1.0
92.08532	0.4
93.07012	0.6
95.04919	0.3
95.08585	0.4
103.05441	18.1
105.07001	0.4
121.06452	0.3
128.06171	0.3
129.07013	0.3
131.04897	36.3
139.98985	0.3
145.06544	0.3
153.01797	11.6
159.07993	0.3
163.07512	4.7
165.05450	0.3
167.04840	0.4
169.06441	1.8
173.05849	0.5
181.06430	0.5
187.03860	1.1
187.07559	0.6
197.05989	2.8
199.07452	0.5
200.04721	2.7
203.07370	0.3
213.05443	0.3
215.07057	2.0
216.04108	0.5
225.05428	3.0
227.07066	1.2
228.04120	21.0
243.06453	1.4
244.03622	6.5
255.06476	2.3
256.03555	4.1
257.04321	0.4
259.05951	17.2
259.08710	0.6
261.07312	0.5
267.08981	0.5
271.05936	100.0
272.06168	0.6
285.10098	2.6
286.10275	0.4
365.15387	0.4
397.08978	2.8
421.12738	10.1
439.10117	30.2
613.27710	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	589.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40361	0.2
52.87156	0.1
70.12514	0.2
79.05472	0.3
82.77301	0.2
93.06997	0.2
95.04913	0.9
103.05441	13.7
104.16125	0.2
106.30914	0.2
107.04947	0.4
113.02342	0.3
119.04922	0.3
123.04396	1.0
129.06979	0.2
131.04893	27.4
137.05907	1.5
139.03816	0.2
139.05444	0.2
141.07004	0.4
151.03889	1.6
151.07469	0.2
153.01793	8.4
153.05408	1.2
155.04912	0.3
161.35371	0.2
163.07491	4.0
167.04922	0.2
169.05177	0.2
169.06461	2.0
172.05186	0.2
173.05975	0.4
175.63289	0.2
177.05411	0.2
179.03406	0.2
181.04906	0.7
181.06317	0.6
181.10039	0.2
183.04341	0.3
184.05251	0.2
187.03841	0.9
187.07500	0.5
197.05922	3.1
199.07500	0.5
200.04666	2.7
201.05418	0.4
205.04919	0.4
212.04617	0.4
213.05360	0.7
214.06209	0.2
215.06976	1.7
216.04205	0.8
225.05415	2.4
227.06984	1.0
228.04103	22.5
229.04622	0.4
231.06541	0.3
237.05566	0.3
242.05655	0.3
243.06516	2.1
244.03609	6.7
255.06377	2.1
256.03580	4.4
257.04379	1.0
259.05936	19.3
261.07443	0.2
271.05923	100.0
272.06332	1.4
283.05881	0.2
287.09055	0.3
303.08539	5.2
397.09064	3.1
421.12729	7.2
422.13150	0.3
439.10132	28.2
440.10388	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60865	0.1
53.03933	0.6
53.98328	0.1
55.01870	1.2
55.05506	0.1
61.05176	0.1
65.03923	1.3
67.05499	0.5
68.99773	0.6
69.03394	0.4
71.72533	0.1
72.23741	0.1
79.05476	2.1
81.03397	0.2
81.07047	1.4
83.01351	0.1
83.04964	0.3
84.62856	0.1
85.02889	0.3
90.12471	0.1
91.05463	1.7
93.03378	3.9
93.07030	0.2
94.04166	1.5
95.04933	0.8
97.06497	0.5
103.05449	2.5
103.16457	0.2
107.04938	39.0
107.08543	0.2
109.06484	0.3
111.04414	1.1
111.77094	0.1
119.47358	0.2
121.02032	0.3
121.02847	4.1
121.06487	1.2
123.04406	0.8
125.05958	3.0
131.03400	0.3
131.04895	6.8
135.04387	2.2
137.02304	0.2
137.05922	1.4
139.03857	1.2
147.04408	0.6
149.04898	0.2
149.05917	1.1
151.07475	0.4
152.06131	0.2
153.05443	100.0
154.05693	0.2
162.03078	0.3
163.07516	2.1
165.05470	1.8
171.08023	0.3
177.05432	12.3
179.03476	0.2
179.07005	0.2
181.06389	0.2
183.08029	0.3
185.05942	0.3
187.07497	0.6
195.08043	0.3
197.05847	0.2
199.07494	1.1
201.05429	6.6
205.04836	0.6
209.05954	0.2
210.61064	0.1
211.07489	0.6
213.05428	1.3
215.06897	0.2
223.07433	0.6
226.06133	0.2
227.06989	3.7
229.08531	0.3
233.08118	0.2
237.05302	0.2
239.06882	0.2
241.04953	1.1
241.08556	0.8
242.05714	0.6
243.51578	0.2
245.08002	0.7
251.06963	0.8
252.07831	0.2
255.06454	16.3
256.07153	1.3
257.08020	1.5
257.23810	0.1
267.06558	0.3
268.07144	0.1
269.08011	4.1
271.09576	0.3
273.07510	1.7
281.04269	0.7
281.07706	0.2
283.06711	0.2
283.09653	3.5
287.09076	23.9
299.09070	1.0
303.12213	23.2
371.08612	0.2
393.13242	6.8
393.27390	0.1
403.11618	1.1
421.12723	21.2
422.12366	0.2
498.92258	0.2
524.30762	0.1
571.19476	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	588.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
54.81481	0.3
55.01837	1.7
57.03430	0.7
65.03889	0.3
65.92671	0.2
67.05469	0.6
69.03390	1.3
77.03876	0.3
79.05048	0.4
79.05466	7.0
81.03394	0.3
85.02885	2.2
89.59040	0.3
90.04633	0.3
91.05453	8.4
93.07006	1.0
95.04940	2.5
95.37957	0.2
97.02824	1.3
97.06477	0.6
103.05442	6.7
105.03300	0.3
105.07008	30.1
107.04287	0.3
107.04940	4.2
107.08539	0.6
108.05713	1.2
109.02840	0.4
109.06501	2.7
111.04417	0.6
115.05415	1.8
117.06973	1.1
118.03292	0.4
118.04136	8.9
119.04925	8.0
120.05673	1.4
121.06486	3.0
122.03599	0.5
122.07229	1.6
123.04411	2.5
123.08044	2.4
124.05171	2.3
127.03875	0.3
131.04895	10.7
132.05626	1.6
133.02818	9.1
133.06458	30.7
134.07191	1.3
135.04428	2.6
135.07068	0.4
135.08026	7.2
135.43756	0.3
136.05141	0.3
137.05951	14.8
137.09557	0.3
139.07523	0.3
145.06390	0.4
146.03596	1.7
147.04378	6.5
147.08060	0.3
148.05124	1.5
149.05965	6.1
150.06732	21.9
151.03960	0.3
151.07507	8.6
152.08264	1.5
153.01802	0.6
153.05420	0.3
161.05942	5.2
162.06647	0.7
163.07500	8.9
164.08301	0.4
165.05397	1.7
165.09068	24.4
166.06137	0.3
167.06995	16.9
175.07481	0.4
177.05380	0.6
178.06209	3.2
179.06995	7.3
179.10544	0.3
181.08586	2.0
191.07002	0.6
193.08559	93.2
194.08942	0.3
195.10144	1.4
197.11658	0.4
203.07053	0.3
211.09612	100.0
212.09955	0.4
213.11124	0.6
265.37454	0.3
299.02225	0.3
341.13675	1.6
361.16357	3.1
373.15921	0.3
530.70569	0.3
534.56512	0.4
586.39520	0.4
586.48657	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.6
55.01867	2.3
56.24391	2.3
64.53854	2.4
64.85339	2.2
67.05492	3.3
67.22096	2.0
70.06572	9.7
72.25221	2.2
79.05494	3.3
81.07045	4.2
85.02890	2.9
88.07627	3.5
91.05456	15.3
93.07019	3.7
94.85721	2.5
95.04934	3.2
99.04343	2.8
102.09189	2.7
103.05450	11.3
105.07028	4.4
107.04934	53.2
107.08566	2.3
111.04449	3.6
113.02340	19.7
119.04926	14.3
121.02837	10.1
121.06501	28.0
129.07083	2.9
131.03384	59.5
131.04880	35.4
131.08551	3.3
133.06506	3.0
137.05974	55.1
139.07509	13.8
141.06972	4.0
147.04355	5.2
149.02328	10.5
151.07524	61.5
153.05452	5.6
153.06876	2.4
157.06471	35.7
161.05937	3.2
163.07512	3.5
165.05428	13.1
167.07063	18.7
169.06494	9.9
171.04367	44.1
171.08147	3.7
177.05519	2.8
181.04979	4.2
183.08009	4.0
193.04933	15.9
195.07951	3.4
197.05966	9.7
201.09082	10.3
211.07343	2.9
215.07025	13.2
219.26654	2.4
225.05412	9.0
225.09047	3.9
228.23131	4.8
229.08626	3.6
239.06987	3.8
243.06596	4.1
243.10144	16.7
257.08020	100.0
257.11639	4.7
271.09525	21.3
283.09592	4.6
285.11035	3.7
299.09085	2.8
301.10739	31.3
307.84848	2.3
315.12125	10.5
385.09042	10.4
386.09305	2.7
407.14835	9.7
437.15796	12.6
451.17090	10.1
586.30072	5.2
587.30518	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	588.2133
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.4
55.05499	1.6
57.03423	3.8
61.02916	0.7
69.03423	0.6
71.01344	0.4
71.04973	18.5
73.02880	0.5
83.04962	10.9
85.02886	100.0
87.04462	0.6
95.01289	4.4
97.02886	0.9
99.00806	0.5
99.04379	0.4
111.04438	4.1
113.02358	1.4
116.01948	0.4
127.03898	11.3
129.05449	3.9
141.01801	27.3
147.06564	0.4
159.02849	0.6
183.02847	3.1
201.03906	11.3
218.18939	0.4
239.09253	0.7
244.57292	0.4
261.05978	26.4
311.07568	4.5
371.09567	0.5
386.25439	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	2.7
55.01863	2.9
55.05509	2.5
67.05504	4.8
68.99785	5.1
69.03430	1.7
69.07052	5.1
69.76749	1.0
71.04975	2.1
77.98652	1.3
78.30776	1.1
79.05478	8.1
79.61385	1.1
81.03393	1.7
81.07037	15.4
83.04965	13.5
85.02926	1.3
91.05468	27.2
92.09253	1.8
93.07025	100.0
95.04947	21.0
95.08607	1.7
97.02902	1.6
97.06515	6.3
99.04443	6.5
103.05452	7.4
105.04510	1.2
105.07013	5.6
107.04965	5.4
107.08598	1.9
109.02891	1.9
109.06498	17.2
111.04436	40.0
111.05123	1.5
119.08589	1.7
121.05591	2.5
121.06480	67.5
131.04935	1.4
131.08542	1.7
133.06439	1.8
137.05974	2.2
139.07542	21.1
145.10104	1.6
151.03876	11.4
159.08147	1.5
163.07538	1.3
169.04913	38.3
181.04942	2.1
191.10843	1.6
203.10904	1.3
219.10185	7.7
237.11212	15.8
267.12222	2.2
285.13257	6.3
303.04996	1.8
587.16095	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.2267
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58065	0.6
53.20129	0.6
54.52642	0.8
55.01859	1.0
67.28955	0.7
68.99769	1.0
70.25919	0.7
78.11059	0.8
79.05466	1.8
81.07021	1.7
83.04957	0.8
84.08127	0.9
85.02914	1.0
89.29907	0.8
91.05453	0.9
95.04953	1.1
97.80278	0.8
103.05436	16.5
107.04930	59.9
121.02865	1.4
121.06445	1.2
131.04889	32.2
131.08620	0.8
137.05954	10.0
151.07550	1.5
153.01845	6.5
153.05428	3.2
163.07487	1.8
165.01854	0.9
183.02904	1.1
185.05940	1.1
189.09048	4.1
195.08174	1.0
197.06126	1.4
198.06784	1.0
199.07602	1.1
201.09071	3.5
209.65500	0.8
210.06781	1.0
211.07458	5.7
212.08301	3.6
213.05405	1.5
213.09059	5.0
214.09767	0.9
215.07082	0.9
223.07437	1.4
225.05432	1.7
225.09030	7.3
226.06151	0.9
226.09798	1.4
227.06958	5.5
228.07715	3.8
229.08548	5.9
229.16052	1.0
231.06377	1.1
237.05528	1.1
238.06284	1.2
239.07010	6.9
240.07732	5.0
241.04874	1.2
241.08530	8.8
242.05617	3.0
242.09293	20.6
243.06543	3.1
243.10022	3.7
244.07196	0.9
251.06935	1.1
252.07886	0.9
253.04817	0.9
253.08466	6.0
254.05760	1.3
254.09271	4.0
255.06277	5.6
255.10156	3.8
256.07150	3.4
256.10757	3.0
257.08023	8.1
258.05206	3.3
258.08694	3.2
259.09628	3.3
266.05646	1.3
267.06207	0.9
269.08041	19.0
269.11038	1.2
270.05219	7.8
270.08804	24.3
271.06158	1.5
271.09540	10.2
273.07535	8.8
273.11176	5.4
281.07996	9.9
281.11246	1.5
282.08801	4.9
284.10349	7.7
285.07538	36.4
285.11130	100.0
286.04721	1.7
287.08917	1.0
289.10593	9.2
295.05869	1.2
297.07544	6.1
297.10855	1.6
298.08246	3.8
299.09058	10.8
311.09052	3.2
312.09848	41.7
313.10626	55.9
323.05508	2.0
325.10611	5.4
330.34210	0.9
331.05820	1.0
331.11679	2.0
351.04849	1.1
359.05255	1.4
363.12335	1.8
387.12088	3.0
405.05667	3.8
405.13306	7.2
419.14850	14.6
425.08289	2.9
437.08496	32.5
437.15707	14.2
444.92493	0.9
447.14127	4.2
462.16632	28.7
463.11099	1.0
463.17313	10.1
529.81390	1.1
569.21600	33.2
587.14899	5.6
587.22986	1.9
587.35913	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15275	0.4
55.05532	0.5
67.05489	1.2
68.99757	0.6
69.07056	0.8
79.05444	2.0
79.74660	0.7
81.07027	2.2
83.04957	0.5
89.54170	0.5
91.05462	1.2
93.07004	1.3
95.04943	1.2
95.08572	0.8
97.06509	0.6
103.05435	4.6
103.91363	0.5
105.07020	2.3
107.04950	4.0
117.85244	0.6
119.04967	1.0
121.02863	1.3
122.03592	1.6
124.54510	0.5
125.06006	0.9
131.04890	7.7
137.05981	2.8
139.03871	6.1
150.06775	0.8
151.07571	0.9
153.01820	5.4
153.05426	27.9
155.03333	0.8
161.05853	0.7
165.05461	1.3
168.04187	0.7
185.50113	0.6
201.05373	0.7
203.03380	4.2
229.04913	8.0
242.05685	14.9
247.95114	0.6
253.35030	0.6
257.04373	62.1
258.05161	50.5
261.07758	0.8
267.06509	1.2
269.04288	1.0
270.05112	9.5
271.05942	37.0
271.08884	1.2
283.05960	0.8
285.03937	3.7
285.07404	1.8
286.04636	100.0
287.05246	2.8
295.05994	2.7
323.05490	0.9
349.07053	0.9
437.08557	60.6
463.10324	2.8
587.15350	56.4
588.15985	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1541
Annotation	Protosappanin E-2
Peak:m/z	Relative Intensity
52.28944	0.5
54.25403	0.5
55.01864	0.7
55.05476	0.8
62.95385	0.5
67.05491	1.0
68.99772	1.4
69.07020	0.6
71.54207	0.5
77.51324	0.6
79.05489	1.0
81.07035	1.3
91.05457	1.1
93.07024	0.9
95.04948	1.1
95.08605	0.7
97.02896	0.7
103.05444	29.0
105.07005	1.5
107.04921	1.5
109.10162	0.7
119.08561	0.8
121.06538	0.8
131.04892	43.3
131.08484	0.7
133.10025	1.0
137.05943	2.4
139.03873	0.7
141.29395	0.6
145.06415	0.8
147.11681	0.8
151.07558	1.2
153.01797	18.1
153.05447	3.9
163.07487	2.8
165.01799	3.9
179.03273	0.6
181.06502	0.7
183.02875	2.5
197.05936	2.9
203.07059	0.8
211.07521	1.2
214.06133	2.6
225.05432	5.2
226.06158	0.9
227.07048	0.9
228.04094	1.2
229.04968	0.8
239.06998	1.5
241.04922	1.4
241.59679	0.7
242.05719	7.8
243.06427	1.2
253.04987	2.9
254.05803	0.9
257.04297	0.8
257.08075	0.9
258.05219	13.0
267.06253	0.7
270.05167	32.4
271.06033	6.4
273.07516	18.5
275.07098	1.1
285.07501	89.5
286.04773	6.3
295.05905	1.5
303.06467	3.9
310.04956	0.9
311.05344	3.5
321.03821	1.5
323.05374	9.4
327.08490	0.7
331.05914	6.4
334.04425	0.6
337.06940	1.0
349.07053	2.4
351.04828	2.4
353.06741	0.7
359.05408	5.1
377.06393	2.7
395.07474	0.8
405.05881	5.0
423.06888	1.2
425.08344	5.8
437.08560	100.0
438.08707	0.9
463.10168	2.8
552.46857	0.7
587.15491	5.9
587.37415	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	587.1546
Annotation	Protosappanin E-2
Peak:m/z	Relative Intensity
50.69660	0.3
51.12521	0.2
54.81609	0.3
58.53497	0.2
58.85033	0.3
61.89353	0.3
67.01881	0.3
67.05492	0.6
68.99767	0.5
70.48571	0.3
77.54901	0.3
81.07030	0.6
85.02886	0.6
85.06555	0.3
95.04961	0.7
97.06532	0.4
100.82201	0.3
103.05451	24.0
109.06527	0.5
111.04405	0.3
117.40498	0.4
127.07539	0.3
131.04913	31.6
137.05945	2.0
152.08971	0.4
153.01813	13.0
163.07498	2.9
165.01814	3.0
165.09087	1.3
174.08348	0.3
183.02853	2.5
183.04268	0.3
197.05974	0.7
203.06963	0.4
213.05472	1.3
213.17023	0.3
214.06195	0.7
225.05319	1.7
226.06264	0.6
227.07010	0.6
229.08543	0.6
230.05719	0.7
238.84375	0.4
239.07019	1.5
242.05690	11.6
243.06461	1.4
253.04996	0.6
254.05728	0.7
257.04483	0.5
257.07944	0.5
258.05188	9.8
267.06610	0.4
270.05188	43.8
271.05963	5.6
273.07532	26.5
273.10577	0.5
277.04953	0.3
285.07529	100.0
286.04694	1.4
286.07764	0.9
299.05447	0.5
303.06363	1.3
311.05484	1.9
321.07635	0.4
323.05350	3.8
331.05975	1.4
339.05038	0.4
349.06992	1.4
351.04752	0.5
359.05136	0.7
377.06027	0.6
379.25946	0.3
405.06003	2.2
425.08643	6.0
437.08597	57.9
463.09912	2.2
587.15363	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	586.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01863	1.5
57.03426	2.6
61.02906	5.5
65.03929	1.0
69.03412	9.7
69.21110	0.2
70.06562	0.2
71.04964	1.4
73.02892	2.4
74.58615	0.2
81.03401	3.5
83.01317	0.3
85.02884	54.1
86.03245	0.2
87.04462	1.7
91.03947	3.3
91.05453	100.0
92.05788	0.9
92.09278	0.3
97.02863	13.4
97.74709	0.3
99.04444	2.3
103.03909	0.5
105.07041	0.3
109.02865	4.4
116.70842	0.2
127.03883	11.8
145.04926	15.6
145.06081	0.5
149.02415	0.2
163.05975	4.9
167.03305	1.3
175.52661	0.2
203.03407	0.3
204.17445	0.3
245.08000	3.7
257.07974	0.9
269.07999	0.4
293.08130	0.3
311.08859	0.4
323.08878	0.5
325.11200	0.4
353.09848	1.2
371.11069	1.6
389.12415	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.2132
Annotation	Unknow
Peak:m/z	Relative Intensity
56.06746	0.2
57.03414	0.6
57.68009	0.2
60.61206	0.2
61.02908	1.0
65.03924	1.3
69.03419	2.2
81.03405	1.0
85.02890	10.5
86.20234	0.3
91.05460	100.0
92.05782	0.4
95.08594	0.3
97.02866	3.1
109.02845	1.2
123.04420	0.4
127.03889	2.3
137.02303	0.6
139.03876	2.4
145.04947	2.5
147.04356	0.3
161.05984	0.3
163.05981	0.9
167.03387	0.3
167.18489	0.2
181.08575	0.3
245.07973	3.4
257.90897	0.3
289.06985	0.3
315.76596	0.3
614.56720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	586.4523
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.9
56.24063	2.0
57.07068	54.7
69.07042	3.0
71.08624	29.9
73.06541	5.1
81.07044	5.0
83.08665	2.9
85.10181	21.4
87.04448	3.1
89.06014	100.0
90.80048	2.3
91.05464	3.9
93.07032	5.1
96.88741	2.3
97.10161	2.9
107.08538	3.3
109.10107	4.9
117.09100	6.0
118.95709	2.7
119.08568	5.5
121.20488	2.3
124.42915	2.6
131.08571	4.2
133.08571	29.5
141.44937	2.6
177.11205	10.4
243.23291	3.4
287.25830	2.8
331.87924	2.7
341.09882	2.8
350.79950	2.4
415.25336	4.3
569.42395	15.8
586.44287	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	585.2385
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05986	0.8
54.81968	1.0
57.03426	3.9
57.07066	8.5
57.21729	0.9
61.02913	6.4
63.36808	0.9
66.23137	0.8
67.05486	12.6
69.03413	10.2
69.07028	1.0
71.04975	4.7
73.02914	1.3
81.03413	2.0
81.10812	0.8
85.02891	55.1
85.06548	8.6
91.03954	3.6
95.04952	27.6
95.05528	2.0
97.02873	18.3
98.97583	1.3
99.04456	1.2
109.02872	5.2
109.38080	1.0
111.32961	0.9
112.19715	1.0
113.05205	1.7
113.05988	50.7
127.03867	12.2
131.07014	100.0
145.04947	13.8
149.08125	0.9
150.44971	0.9
163.06003	5.1
230.10959	1.0
286.97778	1.0
293.12308	8.0
381.31989	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24801	0.8
54.81503	0.8
55.01845	1.0
55.05513	1.1
59.23166	0.8
67.05480	2.4
69.03400	1.0
79.05492	1.6
81.07041	2.2
83.04975	1.3
91.05473	1.6
93.07047	1.9
95.04921	2.0
104.85165	1.1
105.06988	1.8
106.60110	0.9
107.04929	5.4
107.08591	1.0
108.10317	0.9
109.06425	1.0
109.10130	1.5
114.68816	0.9
115.05406	1.7
121.06449	5.1
121.33400	0.9
131.04872	1.6
137.05933	6.5
138.06757	2.0
139.03847	10.6
139.07480	1.1
139.32974	0.9
145.06464	4.8
151.07524	9.3
153.05417	5.8
153.06755	0.9
161.05891	1.1
163.07498	4.8
165.05450	1.5
175.07478	9.8
181.06450	3.7
195.08080	1.8
197.05937	1.5
197.09540	1.1
202.02411	0.9
209.06032	1.7
210.06741	1.2
215.07014	7.1
223.07591	2.1
224.08359	1.2
226.06369	1.2
234.06911	1.0
236.04590	1.5
237.05370	4.9
237.08978	1.4
238.05940	1.0
241.08511	4.4
243.06493	2.3
251.06929	3.9
254.05673	4.7
255.06134	1.2
265.04953	5.1
269.07990	9.6
282.05130	9.4
283.06335	1.2
283.09488	9.2
289.08490	1.8
297.07544	23.7
297.10895	2.6
299.06738	1.0
315.09973	1.5
317.08124	1.4
331.09592	1.9
343.09518	4.5
357.11157	3.9
359.09076	1.6
371.08936	1.4
373.10803	1.3
374.11304	2.1
375.12027	1.9
386.11557	2.4
389.13916	1.5
402.10880	1.2
403.11673	7.6
407.14938	1.8
417.13062	4.3
435.14310	100.0
585.26477	8.6
585.36377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
61.16675	0.8
67.05487	1.0
74.50327	0.9
79.05482	1.4
81.07031	1.1
91.05481	1.9
92.08668	3.7
93.07005	0.9
103.05473	1.9
107.04949	1.7
121.06516	4.2
131.04915	1.3
137.05945	5.7
138.06738	1.6
139.03882	10.9
145.06467	4.5
149.05936	1.1
151.07500	7.5
153.05486	4.9
153.06976	1.0
159.89613	1.1
161.05910	1.3
163.07465	2.3
165.05461	2.2
167.08505	1.5
175.07547	10.6
181.06427	1.6
195.07967	1.6
197.06001	1.1
198.06783	1.6
209.05936	4.1
211.03809	1.3
215.07013	9.6
223.07518	2.0
225.05473	1.5
226.06255	1.2
237.05423	2.0
237.08925	1.6
241.04996	1.3
241.08481	1.5
243.06526	4.4
251.06886	4.3
254.05592	2.0
265.04993	7.8
269.08023	2.0
279.06354	1.1
282.05215	9.7
282.08374	1.9
283.09583	8.6
297.07513	27.1
297.10971	2.3
315.09900	1.7
317.08099	1.4
329.11639	2.0
331.09637	1.6
333.11115	1.4
343.09470	4.3
357.11096	4.9
358.12070	1.4
371.08725	1.6
374.11041	2.0
375.12216	2.1
385.10663	1.7
389.09717	1.3
403.11621	6.5
417.13397	4.2
420.12195	1.6
435.14319	100.0
585.28729	1.7
609.40417	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24801	0.8
54.81503	0.8
55.01845	1.0
55.05513	1.1
59.23166	0.8
67.05480	2.4
69.03400	1.0
79.05492	1.6
81.07041	2.2
83.04975	1.3
91.05473	1.6
93.07047	1.9
95.04921	2.0
104.85165	1.1
105.06988	1.8
106.60110	0.9
107.04929	5.4
107.08591	1.0
108.10317	0.9
109.06425	1.0
109.10130	1.5
114.68816	0.9
115.05406	1.7
121.06449	5.1
121.33400	0.9
131.04872	1.6
137.05933	6.5
138.06757	2.0
139.03847	10.6
139.07480	1.1
139.32974	0.9
145.06464	4.8
151.07524	9.3
153.05417	5.8
153.06755	0.9
161.05891	1.1
163.07498	4.8
165.05450	1.5
175.07478	9.8
181.06450	3.7
195.08080	1.8
197.05937	1.5
197.09540	1.1
202.02411	0.9
209.06032	1.7
210.06741	1.2
215.07014	7.1
223.07591	2.1
224.08359	1.2
226.06369	1.2
234.06911	1.0
236.04590	1.5
237.05370	4.9
237.08978	1.4
238.05940	1.0
241.08511	4.4
243.06493	2.3
251.06929	3.9
254.05673	4.7
255.06134	1.2
265.04953	5.1
269.07990	9.6
282.05130	9.4
283.06335	1.2
283.09488	9.2
289.08490	1.8
297.07544	23.7
297.10895	2.6
299.06738	1.0
315.09973	1.5
317.08124	1.4
331.09592	1.9
343.09518	4.5
357.11157	3.9
359.09076	1.6
371.08936	1.4
373.10803	1.3
374.11304	2.1
375.12027	1.9
386.11557	2.4
389.13916	1.5
402.10880	1.2
403.11673	7.6
407.14938	1.8
417.13062	4.3
435.14310	100.0
585.26477	8.6
585.36377	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.4
55.44759	1.2
60.71990	1.3
62.04811	1.2
65.03933	1.4
67.05486	2.3
69.03419	1.7
79.05475	2.1
81.07050	2.4
91.05470	2.9
93.07020	2.8
94.04130	1.9
95.04926	2.6
95.08530	1.8
96.80264	1.4
101.36958	1.6
103.05447	7.2
105.07065	1.5
107.04937	49.5
109.10145	2.0
115.05434	2.2
117.06948	1.8
119.08517	2.1
121.02825	6.6
121.06499	6.7
122.03648	6.5
126.72171	1.5
131.04883	17.0
131.08589	1.9
132.05608	1.5
137.05945	82.6
144.05656	3.7
145.06499	2.7
146.03586	2.8
147.04402	8.5
151.03902	1.6
151.07520	9.5
155.03517	2.3
155.04912	8.4
157.06448	2.4
159.04396	3.2
161.05946	11.3
169.06464	5.7
171.04388	3.1
172.05190	3.5
179.03462	2.8
181.06430	2.6
183.04431	9.0
185.06023	2.1
187.07474	2.4
187.25287	1.7
200.04745	2.2
203.06985	2.9
211.01984	1.5
211.03900	10.3
213.05446	1.7
215.06947	6.6
217.04976	7.4
239.03392	1.6
243.06459	100.0
247.05980	2.0
267.09970	2.8
269.04758	2.2
269.08066	8.6
271.05914	24.4
285.07434	5.2
297.07584	9.3
298.08395	1.5
371.08902	2.0
373.18967	1.5
388.09805	1.8
389.10013	1.8
393.13278	2.0
403.11691	2.9
421.12659	46.9
435.14160	10.4
585.36432	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	585.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43660	1.8
55.05486	2.1
65.03925	4.6
65.75510	2.0
66.80466	1.8
67.05494	9.9
72.57340	2.3
74.13685	2.4
79.05460	4.2
81.07027	9.5
91.05457	13.5
93.07046	4.0
94.04122	2.5
95.04954	16.1
95.08583	5.2
103.05455	22.3
105.06996	5.4
107.04939	39.1
107.08583	3.9
109.06506	11.9
111.04436	3.5
119.08535	2.6
121.02844	73.1
121.03812	3.2
121.06472	10.4
123.04362	17.3
131.04893	53.7
135.07932	2.8
137.05962	45.0
145.10159	2.8
148.05226	2.5
151.03911	5.2
151.07506	18.8
153.05466	13.5
153.06702	3.1
161.05997	3.1
163.07501	11.2
165.05458	26.8
167.07037	14.1
179.03377	54.8
181.06470	3.2
187.54851	2.8
197.04414	14.2
199.07495	2.4
209.05936	3.9
214.00804	2.3
224.08273	10.9
225.05383	3.0
225.09027	4.0
227.06976	5.5
240.07666	4.5
253.08289	2.6
255.06467	12.7
255.10063	2.8
259.09610	3.2
267.10123	3.3
269.08075	16.2
270.08780	14.3
281.08145	4.9
283.06091	3.7
283.09705	5.8
285.11148	29.3
298.08206	11.8
313.10638	100.0
315.12244	24.2
317.37610	2.7
352.73557	2.8
381.65860	2.3
435.07211	18.1
435.14166	13.2
463.17349	11.0
585.37360	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	585.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.1
55.01856	1.6
59.55324	1.0
63.90039	1.0
65.03922	2.4
65.37285	1.1
67.05494	5.9
69.03419	1.3
69.07083	1.5
73.29885	1.1
79.05479	6.5
81.07021	8.1
87.02148	1.1
91.05453	10.1
93.07034	4.8
95.04959	19.1
95.08579	2.3
96.12177	1.1
97.06531	1.3
97.93425	1.2
100.11233	1.2
103.05445	25.1
105.07030	9.0
107.04936	35.8
107.08569	5.0
109.06491	6.8
109.10149	2.2
111.04423	4.7
119.08578	6.0
121.02847	68.3
121.06470	12.5
123.04407	13.8
131.04898	51.5
131.08508	2.1
135.04358	1.4
137.05952	27.4
139.07602	4.6
142.07796	1.4
145.06487	1.5
145.10103	2.0
147.04395	1.6
147.11690	1.4
148.05286	1.5
149.05989	1.9
149.07173	1.5
151.03876	2.7
151.07533	18.4
153.05432	12.9
157.10129	1.5
163.07541	13.6
165.05458	22.0
165.06830	2.2
167.07007	14.2
177.05421	2.1
179.03362	51.9
179.08514	1.5
181.06438	2.7
183.08072	1.2
183.26620	1.1
195.08043	1.4
197.04430	12.9
197.06024	2.3
199.07509	2.2
209.05986	2.5
210.06758	1.4
210.98714	1.4
211.07516	2.6
222.13924	1.1
224.08270	7.9
225.05457	1.9
225.09097	2.9
226.06171	2.2
227.07050	4.9
235.07434	1.2
240.07756	6.2
241.08585	1.9
242.09380	1.8
243.10104	1.9
253.08495	1.8
254.05731	2.3
254.09305	5.5
255.06335	9.2
255.10101	7.5
257.08072	2.3
259.09637	2.9
269.08026	12.1
270.08813	13.1
271.09573	1.8
281.08142	2.6
283.05948	11.8
283.09555	10.7
284.09998	1.4
285.11157	25.1
286.04654	1.5
297.07471	6.5
298.08270	10.5
301.06992	1.5
313.10654	100.0
315.12207	24.7
341.09937	1.6
405.09433	1.9
407.14557	1.8
435.07053	6.5
435.14178	8.4
463.17474	6.7
491.17090	1.7
567.19604	1.9
585.20367	1.4
585.36792	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	585.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02371	0.2
55.01848	0.2
55.05494	0.3
65.03915	0.3
67.05471	0.6
69.03394	0.6
79.01835	2.3
81.03394	0.2
83.04955	2.0
83.74570	0.1
85.02885	0.6
91.05432	0.2
95.08605	0.2
97.02868	0.8
105.07034	0.2
107.01305	0.7
111.04430	3.7
117.06976	0.1
121.02837	11.9
121.06414	0.2
121.18806	0.1
125.02307	3.0
131.04926	0.1
131.69539	0.1
137.02296	0.2
139.03900	0.2
143.03377	6.6
145.06461	0.5
147.04410	0.3
149.09525	0.1
151.03899	0.2
153.01801	100.0
154.02112	0.6
161.05959	0.2
163.03920	0.3
165.01846	0.1
173.05952	0.6
175.03871	0.2
179.03357	1.9
181.01265	1.1
183.05746	0.1
189.05444	0.2
195.02922	0.3
197.04358	0.1
201.05441	0.8
203.60849	0.1
207.02852	3.8
207.06636	0.1
217.04971	0.2
219.06470	2.1
221.04428	1.1
223.02371	0.8
235.05974	0.6
237.03928	0.2
245.04436	0.2
249.07555	1.4
263.05475	1.8
281.06482	9.5
283.05893	0.2
287.05392	1.5
299.07816	1.2
311.05447	0.4
329.06436	1.0
423.23331	0.1
433.11353	0.2
531.14935	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	585.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	1.9
55.21764	0.8
61.68118	0.9
81.07047	4.4
85.02875	1.8
86.09711	4.3
93.07034	1.6
95.04906	1.0
95.08566	2.1
99.88120	0.9
103.05444	12.7
107.08563	1.0
109.10177	1.3
112.23701	1.1
114.33382	1.0
124.99979	1.7
131.04906	28.2
135.08078	1.0
137.05971	4.4
150.32835	1.0
153.01823	2.1
163.07506	4.4
184.07307	8.5
291.06473	1.1
294.04947	1.6
297.03879	1.7
307.30521	1.3
309.03931	1.9
310.04684	23.0
319.05997	5.9
320.03220	1.1
321.03793	8.6
322.04700	1.5
323.05582	3.7
324.02887	1.6
335.05356	4.2
336.06064	1.6
337.03073	1.2
338.04144	13.3
347.05435	23.1
348.06516	7.3
350.03833	1.8
351.04803	2.2
353.06458	28.7
357.80069	1.2
363.04886	6.2
364.05814	2.5
366.03534	8.4
375.04901	19.1
376.05771	8.4
380.05225	1.2
381.05936	18.2
392.05066	6.0
403.04327	6.1
404.05157	4.6
407.07538	5.2
423.06921	5.5
435.06979	100.0
585.13849	5.9
585.27679	1.6
585.36096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	584.4221
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90332	2.9
52.04927	2.9
55.05488	16.5
56.19501	3.1
56.90434	4.1
57.07061	14.9
67.05476	17.1
68.83023	3.8
69.07049	15.3
74.48256	3.4
79.05464	25.5
81.07044	28.6
83.08605	4.1
85.06530	7.0
89.05997	24.8
91.05453	47.1
92.08861	15.7
93.07027	63.5
95.04936	14.3
95.08605	33.9
102.42999	3.3
105.07021	79.4
106.07825	5.6
107.08572	51.0
109.10108	19.8
117.06995	23.6
119.08564	90.3
121.10151	28.8
123.08022	6.2
128.06184	7.0
129.06999	27.8
131.08551	57.5
133.06403	3.9
133.08591	6.3
133.10097	44.2
135.08069	13.3
135.11682	6.3
137.09601	9.0
142.07759	22.8
143.08563	49.6
144.09348	7.5
145.10112	75.1
147.08043	13.9
147.11687	15.6
151.07500	4.5
155.08569	19.4
156.09303	20.4
157.10117	61.5
158.10880	6.2
159.11690	34.4
161.09601	7.5
161.13312	5.2
163.11226	4.8
165.09102	20.0
165.32504	4.0
167.08556	5.3
168.09311	7.3
169.10101	16.3
170.10773	4.1
171.11665	37.4
173.13234	16.0
175.11127	8.7
175.14894	4.7
179.08527	5.6
181.10048	15.6
182.10808	4.9
183.11607	31.3
185.13228	15.3
187.14749	5.0
189.12634	5.3
193.12172	4.5
195.11647	19.2
197.13231	17.5
199.10953	4.2
201.12903	4.9
203.14333	8.5
205.22758	4.9
207.11723	7.4
207.13710	6.5
208.12347	5.0
209.13206	14.4
209.15051	4.6
211.14822	13.4
221.13332	6.4
221.15384	24.8
223.14796	9.2
225.16528	4.1
235.14859	4.6
247.16946	6.9
297.22058	3.8
300.28918	6.3
311.29462	7.8
337.21207	4.9
352.23819	40.9
365.24124	6.3
371.22803	5.8
377.62503	4.1
412.29608	8.5
438.31290	7.3
488.70816	3.9
502.90021	3.9
504.35944	100.0
524.80371	4.6
584.41779	16.5
584.55774	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	584.4219
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16364	1.1
53.00280	1.3
53.03949	2.0
55.05495	10.2
57.07062	11.4
59.04984	1.7
65.03895	1.5
67.05487	14.0
69.03408	5.8
69.07052	12.6
69.20331	1.2
70.06568	1.4
71.04964	1.6
76.56089	1.5
79.05466	17.1
81.07024	21.4
83.04972	1.8
83.08578	1.8
85.06540	5.8
85.72807	1.2
89.06003	6.3
89.38046	1.2
89.88583	1.3
91.05457	30.7
93.07025	40.4
93.07566	2.4
94.07825	1.7
95.04951	9.4
95.08583	21.2
97.06499	1.4
97.32208	1.4
103.05429	1.6
105.07012	50.0
106.07770	1.5
106.61295	1.9
107.08576	30.7
109.06509	9.6
109.10123	12.3
109.10749	1.4
111.08038	2.0
115.05430	2.5
117.07001	13.3
119.08558	75.0
120.09399	2.4
121.06497	3.4
121.10135	18.7
123.08056	12.3
123.11640	2.2
128.06232	5.8
129.06993	12.1
130.07762	2.9
131.08537	35.9
132.09332	2.1
133.06464	2.2
133.08592	1.5
133.10092	30.9
135.07993	10.6
135.11661	10.1
137.09566	4.9
141.06956	3.4
142.07770	15.2
143.08536	38.1
144.09315	9.8
145.10100	52.0
147.08032	14.4
147.11688	15.1
149.09610	7.6
149.13252	2.5
151.07553	7.4
153.06947	1.9
155.08522	14.9
156.09306	15.0
157.10092	47.7
158.10913	8.2
159.08043	3.3
159.11668	30.0
160.12500	1.9
161.09625	7.8
161.13257	7.1
163.11139	5.9
165.06999	2.8
165.09074	27.1
167.08537	10.0
168.09267	2.2
169.10089	15.3
170.10860	8.1
171.11647	23.3
172.12436	2.9
173.13213	14.8
175.11165	8.1
175.14806	8.4
177.11308	1.7
179.08545	7.3
180.09276	2.8
181.10123	13.6
181.12193	2.4
182.10892	7.1
183.11633	21.1
184.12395	3.4
185.13193	16.0
187.11183	1.9
187.14804	3.3
189.12741	5.9
193.10126	7.5
193.12157	6.2
194.10918	2.5
195.11676	13.1
196.12489	5.9
197.13164	16.6
199.11192	3.4
199.14751	5.9
201.12746	1.8
203.14236	10.9
206.10843	2.5
207.11685	9.4
207.13695	3.5
208.12556	5.2
208.14505	2.4
209.13164	15.6
210.14153	2.2
211.11241	2.1
211.14833	6.4
217.15919	2.0
219.11618	2.1
219.13737	6.4
221.13298	8.0
221.15358	32.5
222.14139	1.9
223.14806	9.3
225.12802	1.7
225.16284	2.4
233.13348	1.9
234.16121	6.0
235.14886	3.4
237.12695	2.6
237.16318	5.1
239.14305	2.3
247.14749	2.6
247.16960	3.5
261.16171	1.7
263.17889	3.2
265.19562	2.2
269.19086	1.8
273.18497	2.2
297.18625	1.8
299.19989	7.6
300.28934	2.9
311.29346	9.2
325.21567	8.9
337.21640	8.6
346.25946	1.7
352.23923	46.5
365.24692	10.1
371.22635	5.8
397.27194	2.3
398.28143	3.1
404.30899	3.6
411.28397	2.3
412.29559	12.6
425.30380	2.6
438.30969	11.0
489.33606	2.4
491.35181	11.1
492.34622	2.7
504.35864	100.0
584.41705	7.0
584.56128	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	584.4217
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11487	2.9
54.81847	4.6
55.05497	6.5
57.07066	7.9
62.41394	3.4
67.05490	20.0
69.07034	7.3
73.59078	3.2
79.05469	25.1
81.07029	36.9
83.04948	4.2
83.08597	4.9
87.57848	3.4
88.30376	3.7
91.05453	60.4
92.64288	3.8
93.07021	45.1
95.04947	28.0
95.08567	27.8
105.07008	64.6
107.08566	41.8
109.10139	9.2
111.39884	3.7
115.05423	4.6
117.07009	30.6
119.08559	100.0
121.10107	23.5
123.08057	6.6
128.06189	17.1
129.06969	18.8
130.07756	6.9
131.08549	55.8
133.10097	38.7
135.08064	4.0
135.11699	8.2
141.06943	14.1
142.07791	29.3
143.08525	43.2
144.09306	6.6
145.10120	50.4
147.11667	17.4
148.41383	3.6
149.09631	5.3
155.08531	16.0
156.09294	8.1
157.10103	39.6
158.10878	4.6
159.11674	22.5
161.09520	4.8
167.08418	5.9
168.09317	6.6
169.10043	19.9
170.10887	5.4
171.11667	17.2
173.13223	16.7
175.14828	8.6
179.08530	19.5
181.10072	21.0
183.11598	15.2
184.12375	5.2
185.13217	7.7
187.14761	8.5
193.10107	8.2
194.10887	6.7
195.11658	17.5
196.12460	3.8
197.13264	7.9
201.51521	4.2
207.11612	6.6
209.13193	19.3
219.11662	5.0
221.13185	5.1
223.14923	4.4
237.16278	6.3
241.19489	4.1
256.76566	3.6
284.44467	4.8
311.29321	4.6
354.25485	8.0
387.36346	3.9
388.23511	3.7
393.09363	4.1
492.36163	3.9
546.08563	4.0
584.41797	24.7
584.55768	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	584.4215
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	1.4
53.03924	2.2
54.81914	1.4
55.01864	1.9
55.05497	14.8
57.07050	3.1
57.17154	1.4
67.05496	15.8
69.03397	2.3
69.07061	11.6
77.84739	1.5
79.05467	35.1
80.06244	2.8
81.06586	2.7
81.07033	44.6
81.07474	3.0
83.04960	2.3
83.08599	5.8
85.06530	3.2
91.05455	57.1
92.06275	1.8
93.07018	57.9
95.04943	51.0
95.08590	25.4
103.05442	7.2
105.04504	1.7
105.07003	100.0
106.07835	2.2
107.04926	1.6
107.08573	37.5
109.06498	5.9
109.10142	11.5
111.08052	1.6
115.05422	7.6
116.06219	2.3
117.06987	36.2
119.07703	3.3
119.08555	87.7
121.06452	3.2
121.10131	29.3
123.08033	17.8
123.11645	5.5
128.06168	16.7
129.06969	32.6
130.07759	17.1
131.08534	63.6
132.09273	6.5
133.06476	3.6
133.10106	36.5
135.08035	9.2
135.11635	9.3
141.06964	13.1
142.07765	21.2
143.08536	61.2
143.09410	1.6
144.09300	13.6
144.56552	1.4
145.06493	1.7
145.08954	3.3
145.10098	80.9
146.10844	2.5
147.08022	8.2
147.11687	23.3
149.09563	6.9
153.06966	7.3
154.07706	3.4
155.08531	27.3
156.09319	21.0
157.10100	53.3
158.10893	8.3
159.08008	6.1
159.11653	31.6
161.09578	6.0
161.13234	6.9
163.11194	2.3
165.06927	11.9
166.07706	7.2
167.08557	15.7
167.10609	3.2
168.09300	11.1
169.10092	41.5
170.10837	9.3
171.11647	26.8
173.09618	1.8
173.13197	15.2
175.14769	2.7
179.08522	21.4
180.09358	11.2
181.10091	22.6
182.10846	10.2
183.11662	30.3
184.12398	5.9
185.09563	2.3
185.13246	12.9
187.11153	2.3
187.14780	6.0
189.12680	2.6
191.14293	6.0
192.09303	9.8
192.39902	1.5
193.10057	16.8
194.10757	10.5
195.11661	25.8
196.12451	5.4
197.13206	25.8
198.13979	2.0
199.11078	2.2
199.14769	7.6
201.16370	1.5
203.14223	3.1
205.10080	7.0
206.10893	7.0
207.11679	15.5
208.12358	3.4
209.13200	18.9
210.13902	6.0
211.14861	10.3
213.12666	2.6
215.14302	1.7
217.10124	2.8
218.10724	2.7
219.11635	6.6
220.12436	3.4
221.13362	10.3
222.13881	3.2
223.14711	12.5
224.15559	1.6
225.16273	2.7
231.11673	3.2
232.12567	2.0
233.13153	8.6
234.13988	2.9
235.14796	8.3
237.16280	6.9
239.17915	1.9
243.17455	1.7
245.13089	5.5
247.14822	8.1
249.16263	7.7
251.17703	3.1
255.17426	1.9
259.14749	2.4
260.15567	1.9
261.16272	5.8
263.17871	7.0
264.18716	1.8
265.19476	3.5
267.17206	1.8
273.16287	6.3
275.17972	2.1
303.20923	2.1
323.23560	3.6
336.24374	2.7
337.25003	3.1
349.24890	2.1
354.25549	2.6
359.23828	1.9
371.22952	1.6
428.30807	1.5
446.31744	5.2
492.35641	6.9
584.41888	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	583.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02352	1.8
53.00290	2.1
53.03932	5.7
55.05503	20.7
57.07066	11.6
59.04996	2.5
63.36411	1.6
65.03928	3.4
65.94508	1.4
67.05486	29.4
68.21438	1.5
69.03410	10.0
69.07053	22.4
79.05467	31.7
81.07024	32.5
83.01920	1.6
83.04969	7.5
83.08611	8.0
85.06530	7.1
91.05457	59.1
91.05996	2.9
92.06254	2.0
93.07016	66.9
95.04948	12.9
95.08576	39.3
97.06541	6.3
103.05446	4.0
105.04487	2.6
105.07007	100.0
107.00505	1.9
107.08578	53.2
109.06505	10.8
109.10132	22.1
111.08072	2.9
115.05437	7.2
116.06206	5.5
117.06982	23.4
119.08555	95.8
121.06466	6.8
121.10110	47.5
123.08038	19.7
123.11698	2.8
125.05933	2.6
125.09647	2.2
128.06172	19.3
129.06966	25.7
130.07753	13.3
131.08546	39.7
133.06526	2.0
133.10106	40.5
135.08051	8.5
135.11673	11.1
137.09616	11.9
139.11121	2.0
141.06926	14.7
142.07761	38.8
143.08551	48.4
144.09291	10.9
145.10091	61.8
145.11223	2.9
147.08026	16.7
147.11624	15.6
149.09608	6.6
149.13202	2.5
151.07507	14.4
153.06960	12.7
154.07784	6.9
155.08525	24.2
156.09325	26.7
157.10100	59.8
158.10883	15.0
159.08038	3.8
159.11664	25.2
161.09642	6.4
161.13239	7.7
163.11099	3.3
165.06995	16.3
165.09048	28.2
166.07738	11.5
167.08510	15.6
167.10652	7.3
168.09323	15.1
169.10106	31.5
170.10820	14.3
171.11635	33.7
173.09592	2.7
173.13225	22.1
175.11223	2.8
175.14777	7.2
178.07724	3.6
179.08530	26.0
180.09300	12.2
181.10101	25.5
181.12108	2.0
182.10915	14.0
183.11658	37.2
184.12402	8.0
185.09723	2.5
185.13185	18.8
186.10320	1.5
187.11194	1.7
187.14812	7.1
189.12762	2.3
191.08553	2.9
191.14279	3.7
192.09312	9.5
193.10092	23.2
194.10899	18.5
195.11649	31.5
196.12448	8.9
197.13243	21.3
198.14119	1.8
199.14845	11.6
203.08516	3.2
203.14214	11.5
204.09250	2.1
205.10153	3.9
206.10774	11.6
207.11685	23.9
207.13715	5.9
208.12381	12.4
209.13213	25.7
210.13943	3.5
211.14803	11.4
213.12813	2.0
217.10075	6.0
217.15718	5.9
218.10895	6.5
219.11642	10.5
220.12462	9.4
221.13214	20.5
221.15369	35.0
222.13960	6.6
223.14722	11.1
225.16425	6.9
227.14410	2.3
227.17728	1.8
230.10921	5.9
231.11638	7.5
232.12448	8.1
233.13248	16.6
233.15250	3.2
234.13914	6.1
235.14806	13.3
236.15660	2.4
237.16370	7.8
239.17941	2.4
243.11685	3.4
244.12460	3.7
245.13203	11.4
246.13979	3.4
247.14742	11.5
248.15593	2.6
249.16313	6.6
250.17108	2.7
251.17984	2.4
257.13174	3.0
257.18881	2.3
258.13889	3.8
259.14807	6.2
260.15570	2.5
261.16345	9.3
265.19531	6.8
269.18729	2.3
271.14740	3.7
273.16232	7.5
275.17871	8.3
277.19519	3.3
283.14871	2.4
283.20490	16.5
287.17651	2.0
295.20413	2.3
331.24097	3.2
349.25049	3.8
375.27029	2.2
378.18286	1.6
403.29898	2.9
491.34912	3.6
503.34793	2.2
565.39954	17.0
583.41382	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	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
53.40640	2.1
55.05509	24.4
56.03799	1.6
57.07071	18.2
57.07306	1.8
59.04981	3.0
60.32360	2.4
60.94409	1.8
62.31609	2.1
64.79929	1.9
65.03912	2.9
67.05484	27.9
69.03405	5.8
69.07053	20.8
69.11404	2.2
71.12096	2.1
79.05479	36.6
81.07043	34.3
81.38589	2.3
83.04971	5.7
83.08607	12.8
85.06506	5.5
91.05458	78.7
93.06478	3.9
93.07024	69.4
93.07568	4.8
95.04949	18.3
95.08575	29.7
97.06499	4.8
103.05421	4.1
105.07015	100.0
105.07738	3.4
107.08571	58.0
109.06506	12.8
109.10130	23.2
111.08068	2.6
115.05421	5.6
117.07011	26.5
119.08556	98.1
119.09385	4.5
121.06478	3.0
121.10114	46.6
123.08045	15.5
123.11681	4.1
125.05932	2.3
128.06212	17.9
129.06978	31.7
130.07771	10.0
131.08549	52.6
133.10104	44.5
135.08029	11.7
135.11649	9.6
137.09579	10.1
139.11133	3.0
141.06978	16.3
142.06758	3.7
142.07774	40.4
143.08551	56.1
144.09323	11.3
145.10109	64.4
147.08054	15.0
147.11690	19.2
149.09665	2.6
151.07524	10.4
153.07007	4.3
154.07730	3.4
155.08522	27.5
156.09323	29.5
157.10098	81.8
158.10847	10.9
159.08063	3.7
159.11633	31.2
161.09625	5.5
161.13237	5.3
163.11140	4.3
165.06987	10.6
165.09065	26.9
166.07732	5.7
167.08562	18.9
167.10713	4.5
167.36549	2.1
168.09285	13.0
169.10074	34.1
170.10909	12.9
171.11638	37.1
173.13211	30.7
175.11093	4.0
175.14743	5.6
178.07744	3.7
179.08531	27.9
180.09294	11.4
181.10109	26.0
181.12245	3.8
182.10823	16.1
183.11639	30.9
184.12419	9.2
185.13232	18.2
187.14879	4.8
189.12749	2.8
191.14331	4.2
192.09273	8.5
193.10118	26.5
194.10847	20.8
195.11665	25.4
196.12474	5.6
197.13168	21.7
199.14828	16.5
203.08609	3.6
203.14259	10.3
205.10115	10.8
206.10860	16.7
207.11691	31.5
208.12489	12.1
209.13263	28.8
211.14832	12.0
217.10149	11.6
217.15833	9.1
218.10904	9.8
219.11627	14.4
220.12451	3.9
221.13208	21.4
221.15367	29.3
223.14795	17.4
225.16336	5.0
229.10149	3.6
231.11656	11.7
232.12514	8.6
233.13170	15.7
234.14096	8.0
235.14806	23.7
237.16344	3.4
239.17894	3.3
244.12590	2.7
245.13217	14.3
246.13875	4.0
247.14821	14.3
249.16269	8.2
257.13284	4.0
257.19028	3.7
258.14078	3.4
259.14728	4.7
261.16333	5.3
263.18005	3.8
265.19571	3.4
269.19064	2.8
273.16357	8.2
275.17831	10.5
277.19440	3.9
280.44333	2.3
283.20511	14.1
287.17807	3.8
289.19391	2.8
293.19092	2.6
297.16333	2.6
301.19531	4.0
331.24084	3.7
331.56439	2.5
335.23965	3.0
349.25275	3.3
403.29745	2.8
424.71603	2.8
473.67093	2.4
565.40320	16.6
583.32831	3.2
583.41461	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	583.4144
Annotation	Unknow
Peak:m/z	Relative Intensity
51.77723	1.0
53.03938	1.6
55.05496	5.5
57.07057	6.2
67.05493	12.9
69.03402	5.9
69.07068	5.2
76.69719	1.4
79.05470	8.0
81.07024	14.2
83.04971	1.8
91.05466	17.7
92.69115	1.2
93.07014	27.3
95.04939	5.2
95.08580	18.8
99.91794	1.1
100.08095	1.2
102.99044	1.2
105.07014	27.7
107.08594	16.2
109.06525	5.3
109.10143	7.4
110.03444	1.3
117.06995	3.0
119.08558	26.1
121.06524	2.1
121.10130	15.7
123.08053	14.2
128.06226	1.9
129.07025	4.8
131.08543	11.0
133.10104	13.5
135.08037	6.0
135.11646	2.1
137.09631	7.9
141.06995	2.5
142.07748	9.2
143.08551	14.2
144.09355	1.8
145.10101	17.8
147.08018	11.3
147.11699	5.5
151.07500	20.5
155.08557	6.2
156.09341	6.0
157.10107	23.2
158.10851	1.3
159.11671	9.8
161.09544	4.6
161.13240	2.6
163.11125	2.1
163.42746	1.2
165.07005	2.2
165.09068	26.7
167.08569	2.1
168.09325	1.6
169.10123	7.7
170.10898	5.2
171.11649	15.5
173.13298	6.8
177.12766	1.8
179.08569	2.2
180.09303	2.4
181.10118	4.9
182.10901	2.6
183.11697	8.2
185.13297	9.4
187.14819	1.8
189.12711	6.7
193.10123	6.1
194.10895	2.4
195.11665	8.4
196.12491	2.3
197.13252	9.6
199.14798	2.6
200.93401	1.2
203.14301	11.7
206.10893	1.8
207.11708	5.1
207.13611	3.6
208.12505	2.9
209.13280	8.8
210.14009	1.7
211.14816	2.0
221.13237	5.0
221.15268	30.4
222.14111	1.7
223.14844	6.2
233.13280	2.4
235.14874	2.4
237.16406	1.6
247.14674	2.3
247.17020	1.7
249.16476	1.6
251.18002	2.2
259.14758	2.0
261.16190	1.4
263.17914	1.9
267.78281	1.5
275.18018	1.7
283.20575	1.4
295.20422	2.4
297.22079	1.4
375.26755	2.8
391.18478	1.7
403.30023	5.3
503.35434	1.6
565.40265	19.4
583.41357	100.0
607.65729	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4143
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	4.6
55.11827	2.3
57.07064	4.9
59.04969	3.2
66.75659	2.0
67.05495	17.7
69.03403	3.9
69.07035	8.2
69.25829	2.2
79.05471	11.9
81.07040	15.5
83.04934	2.7
84.63660	2.3
91.05450	27.3
92.08735	12.3
93.07015	27.0
95.04961	9.0
95.08599	27.4
103.29437	2.3
105.06997	38.0
107.08569	21.4
109.06530	7.9
109.10167	5.2
111.52947	1.9
117.07029	5.4
119.08549	38.8
121.06475	4.6
121.10093	18.9
123.08012	20.0
128.06174	3.2
129.06996	11.1
130.07814	3.2
131.08534	15.3
133.06572	3.0
133.10092	16.0
135.08018	9.1
135.11652	4.2
137.09586	10.9
137.18550	2.2
141.06989	3.1
142.07808	10.6
143.08572	15.0
144.09312	2.4
145.10126	21.6
147.07974	16.5
147.11650	3.3
149.09651	2.5
151.07486	19.5
155.08591	4.5
156.09346	14.4
157.10101	25.2
159.11688	22.4
161.13298	3.3
165.06956	2.9
165.09081	33.6
167.08607	5.0
168.09348	4.1
169.10123	4.3
170.10905	4.9
171.11705	16.6
173.13248	9.8
177.65981	2.3
179.08557	8.5
181.10106	10.5
182.10948	2.9
183.11697	10.8
183.68082	2.6
185.13234	11.1
187.14885	3.3
189.12701	5.8
193.10098	4.4
195.11642	11.2
196.12515	4.5
197.13248	14.9
203.14301	12.7
206.10875	3.7
207.11774	4.9
207.13742	5.5
208.12463	2.8
209.13237	15.1
211.14789	9.5
220.05344	2.4
221.13312	5.3
221.15346	36.3
223.14894	5.4
229.30783	2.4
230.03983	2.3
233.13135	4.2
235.14726	5.1
237.16301	2.5
249.16435	4.5
287.20197	3.0
387.61093	3.2
403.29889	8.8
464.68497	2.9
503.35043	3.2
565.40332	26.4
583.41357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.3112
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	7.5
55.05500	41.7
57.03419	11.0
65.03596	6.2
65.03961	5.8
67.05495	93.9
69.03410	14.9
72.12857	4.9
77.07780	5.3
79.05466	37.2
81.03399	100.0
81.07047	47.3
82.61887	5.6
83.04970	26.7
83.08608	21.9
85.02884	35.3
91.05441	50.6
93.07019	29.4
95.04951	34.0
95.08562	26.5
97.02854	7.6
97.10166	13.4
105.07052	21.1
107.04896	10.5
107.08594	12.9
109.02885	8.4
109.06486	8.7
109.10136	67.6
111.04418	7.6
111.08035	6.9
119.08552	22.9
121.10115	9.2
123.04411	7.3
129.07025	9.5
147.11696	11.6
173.04431	7.2
173.11734	9.8
193.12215	13.3
201.42296	6.2
211.13293	10.4
229.14372	12.6
261.34860	6.1
355.17514	8.5
433.12808	9.9
439.26804	10.4
565.29462	13.9
583.31195	77.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	583.4139
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	15.4
57.07072	11.3
67.05495	25.7
69.03398	9.9
69.07027	6.3
73.68661	6.0
78.46325	6.8
79.05464	33.0
81.07038	36.4
85.06454	7.5
91.05466	64.1
93.07021	73.0
95.04911	16.7
95.08591	35.4
105.07021	88.6
107.08571	56.7
109.06496	8.6
109.10125	17.4
117.06998	14.8
119.08559	100.0
121.10088	50.9
123.08065	7.3
128.06169	16.9
129.06979	38.0
130.07756	9.6
131.08534	46.9
133.10089	33.2
135.08018	10.7
135.11665	8.3
142.07776	39.6
143.08533	42.0
144.09328	8.1
145.10104	56.5
147.11653	12.6
153.21346	7.0
155.08537	31.4
156.09332	27.7
157.10114	43.3
158.10838	10.7
165.09119	12.6
167.08492	9.5
168.09344	10.6
169.10075	36.5
170.10960	10.2
171.11624	32.0
173.13243	13.8
179.08493	13.8
181.10107	27.7
182.11017	8.9
183.11662	28.6
184.12408	8.5
193.10092	14.5
194.10851	23.3
195.11702	28.6
197.13263	12.9
199.14774	10.6
204.06209	7.7
207.11652	29.7
208.12410	9.0
209.13234	12.3
220.12427	7.7
221.13329	16.0
221.15388	10.8
223.14784	7.3
232.12180	8.1
233.13232	7.2
235.14880	10.8
247.14987	7.4
351.36050	6.7
583.41754	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	582.3481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95746	1.9
53.03941	3.1
55.01862	9.3
55.05268	2.3
55.05503	23.7
57.03418	18.3
57.07065	3.2
59.04977	2.7
59.73294	1.9
61.02909	3.3
62.89598	2.0
63.32249	2.3
66.36054	1.9
67.05146	4.0
67.05491	99.4
69.03431	4.0
69.07050	38.5
71.04955	9.5
71.40125	2.0
73.02886	2.9
79.05474	44.9
81.03408	5.1
81.07034	100.0
81.77146	2.2
83.04951	5.9
83.08608	28.7
84.85834	2.3
85.02875	15.3
85.06508	2.6
90.23921	2.2
91.05469	38.4
93.07015	55.7
95.04940	5.9
95.08575	35.4
97.02888	3.5
97.06508	26.8
97.10135	11.0
105.07014	38.2
107.04919	10.5
107.08578	45.5
109.06484	11.9
109.10143	90.7
111.08057	4.4
117.07016	19.7
119.08547	31.1
121.06414	5.1
121.10117	22.4
123.04367	3.8
123.08046	4.9
123.11666	9.0
125.09599	5.9
127.03806	2.9
131.08525	21.7
133.10133	31.2
135.08009	2.9
135.11670	15.0
137.05930	10.8
137.09627	4.6
145.10141	20.3
147.04379	3.4
147.11659	18.4
149.09607	11.9
149.13231	14.6
151.11127	5.2
153.01768	4.7
155.10664	4.0
157.10071	3.8
159.11658	25.8
161.13248	5.3
163.11090	5.4
165.12683	2.7
167.06979	9.1
171.11655	3.3
173.11681	25.6
173.13084	4.3
177.05510	2.8
177.12675	19.1
195.13756	4.6
218.67970	2.6
222.84793	2.6
227.12669	4.1
229.14305	69.0
229.19392	3.0
239.17834	2.5
251.16490	2.7
257.18826	4.8
269.17398	74.8
275.20004	27.9
293.21149	3.5
349.23642	67.2
367.24734	58.7
391.19525	4.2
403.93045	3.1
493.12662	3.2
518.69672	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	581.1138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	9.9
55.05728	1.1
57.03422	6.0
64.20051	1.3
67.05499	1.3
69.03416	42.7
71.01347	5.9
71.04967	10.9
72.08139	2.5
73.02899	1.4
79.05470	1.5
81.03409	2.4
83.04963	25.9
83.29183	1.1
85.02887	38.1
92.09228	1.9
95.08617	2.3
95.48385	1.4
105.01851	8.2
105.07039	1.5
107.04926	1.9
107.08526	1.9
111.00764	1.3
111.04426	23.6
116.98556	1.8
119.08566	1.7
120.08102	9.4
121.08416	2.7
127.97315	1.7
129.05476	15.1
137.02301	2.5
151.03929	1.2
153.01817	13.0
159.09119	11.9
160.09525	6.7
161.01003	1.3
163.11107	1.4
165.01776	2.1
181.63930	1.5
183.02876	1.4
197.02634	1.3
207.09634	1.7
207.59694	1.7
229.04863	5.4
236.70721	1.5
257.04355	3.1
287.05472	29.3
288.12076	1.5
303.04926	100.0
334.15634	2.2
431.38879	1.6
565.39307	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	581.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83109	1.0
56.95143	1.0
56.96554	24.7
64.33363	1.6
67.05495	1.3
69.03410	1.4
71.04962	1.9
78.70023	1.0
81.07025	4.9
84.96022	5.5
85.02877	4.8
89.99311	1.5
91.05480	1.7
93.07018	2.1
95.04974	3.5
95.08576	2.2
97.02874	1.1
97.06496	1.5
97.96777	8.3
98.97565	26.8
102.97035	1.4
105.07005	4.7
107.08544	2.9
109.02798	1.4
110.97540	7.1
115.00667	2.2
115.97812	6.2
116.98589	18.7
119.08562	2.5
121.02821	15.6
121.10073	1.7
122.03130	4.5
128.98537	11.7
133.01671	2.8
133.10088	1.8
133.98854	1.5
134.99623	8.6
139.03929	2.6
145.10089	1.2
146.99631	7.7
147.11653	1.7
148.11171	2.6
149.11569	1.8
153.01736	1.2
158.99619	7.8
177.00662	8.9
183.37137	1.3
189.00665	1.9
219.01727	6.8
237.02722	16.3
239.09531	2.7
253.50429	1.2
261.11685	9.6
261.25946	1.3
277.07574	1.2
277.10745	1.7
279.12540	12.5
285.11523	1.3
291.12155	1.4
293.10431	2.6
297.13751	1.5
303.12643	12.9
304.13416	9.5
309.13693	1.8
315.16266	6.9
317.14163	5.8
319.11850	1.9
321.13638	4.6
322.14526	2.7
323.12900	1.5
329.14178	1.8
331.15488	1.4
333.17303	4.1
335.15204	1.5
341.14160	8.6
347.15201	7.9
359.15146	22.0
361.16956	1.7
377.16135	12.8
401.16245	6.2
419.17126	2.6
521.20447	100.0
539.21393	6.7
581.22241	5.4
581.31360	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.4204
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48734	1.8
51.91196	2.2
53.03944	4.3
55.01860	4.8
55.05502	38.4
57.03434	29.5
67.05492	100.0
69.03410	2.8
69.07053	24.0
71.04971	4.6
79.05051	4.4
79.05473	79.3
79.86900	2.3
80.94503	2.2
81.03403	68.2
81.07037	91.0
83.04959	24.7
83.08607	26.4
84.64100	1.9
85.02887	32.6
91.05460	66.5
93.07024	72.2
95.04950	38.5
95.08582	60.4
97.06519	5.4
97.10177	4.7
105.07013	44.7
107.04942	13.3
107.08574	32.3
108.27387	2.1
109.06513	4.5
109.10139	16.8
111.04384	2.4
111.08024	4.1
117.07001	9.1
119.08565	30.3
121.10120	37.2
129.06978	13.1
131.08551	25.2
133.10143	23.6
135.11655	10.3
145.10115	9.8
147.07991	2.5
147.11670	21.6
149.09615	10.6
149.13181	3.3
151.07864	2.5
157.10149	18.1
159.11635	4.0
161.13200	2.9
173.13248	2.7
175.11172	15.3
178.20908	2.3
193.12184	36.5
211.13258	38.2
261.22192	4.9
267.15863	12.7
285.16913	42.3
290.27304	2.9
335.25772	83.2
527.37170	13.8
545.38318	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	580.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
55.01860	10.9
55.05502	28.5
56.77058	0.6
57.03423	11.5
57.07075	0.8
59.04979	0.7
60.04507	5.1
61.02910	3.5
65.03909	0.9
67.05138	1.3
67.05489	31.6
67.05849	1.1
68.99733	0.6
69.03410	8.3
69.07046	19.3
69.12969	0.5
71.04982	4.7
73.02895	1.5
79.05005	0.9
79.05469	33.4
81.03397	12.2
81.07032	59.0
83.04959	13.3
83.08599	19.8
85.02890	12.7
85.06506	2.5
87.00808	1.1
91.03950	2.3
91.05458	19.3
93.07022	24.9
95.01276	0.6
95.04935	17.1
95.07999	0.8
95.08574	19.3
97.02885	5.4
97.06505	10.4
97.10140	28.2
99.04440	2.7
99.08047	1.0
105.01838	1.0
105.06351	1.1
105.07007	17.8
107.04935	12.1
107.08561	22.5
109.02852	2.5
109.06505	7.5
109.10137	11.8
111.04408	14.4
111.08056	8.9
115.05396	1.0
117.06977	9.6
119.04962	2.2
119.08547	19.3
121.06477	9.1
121.10117	13.4
123.04439	2.4
123.08032	25.8
123.11665	2.9
125.09595	27.0
127.03888	3.5
128.06200	0.6
129.05489	0.6
129.06955	5.0
131.08554	11.3
133.06473	2.9
133.10109	7.8
135.08025	8.0
135.11664	7.8
137.09583	6.2
143.08540	4.5
143.10635	1.3
145.06482	1.0
145.10110	13.9
147.04535	0.9
147.08018	11.1
147.11681	8.2
149.09576	6.6
149.13292	1.1
151.11172	0.8
153.01851	0.9
153.09100	3.7
153.12691	5.5
155.08540	0.8
157.10081	4.9
159.08043	1.3
159.11679	4.0
161.09612	4.1
161.13177	0.7
163.11154	17.5
165.09039	5.4
165.12685	1.2
169.10114	1.0
171.11662	2.8
173.09583	1.1
173.13240	0.9
175.11171	4.0
177.12709	0.9
179.10686	0.8
181.12157	6.5
185.09695	0.8
185.13202	1.3
187.11249	1.1
189.11185	12.7
189.12738	1.0
191.10681	3.5
193.12241	4.7
199.11140	0.8
203.17947	0.8
209.11696	0.7
223.13226	2.5
227.12730	5.6
227.17947	0.7
245.18912	2.6
249.14833	0.8
255.17395	2.3
273.18402	21.7
283.15369	1.1
291.19473	38.6
309.20560	6.4
347.22247	2.8
365.23151	49.8
383.24185	100.0
545.29370	4.2
579.31055	0.7
580.32806	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	580.3325
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55651	0.5
53.00305	0.7
53.03928	2.5
53.32122	0.5
53.32378	0.6
55.01859	3.4
55.05507	5.4
56.05025	5.2
56.33343	0.6
57.03435	4.4
57.07071	0.8
60.04515	100.0
61.02908	2.4
66.70795	0.6
67.05492	12.0
68.05034	0.7
68.55832	0.5
68.99786	0.7
69.03418	15.0
69.07043	5.5
70.06565	1.4
71.04977	3.7
72.04495	4.2
72.09668	0.6
73.02894	3.5
74.06061	4.7
79.05467	7.8
80.04962	0.8
81.03395	11.7
81.07038	16.0
82.06561	0.9
83.04959	1.1
83.08598	3.3
85.02892	25.4
85.06528	0.7
86.06043	2.4
86.09639	0.6
87.00805	6.7
87.04458	0.6
90.05526	1.2
91.05462	6.0
92.09315	0.7
93.07021	7.5
94.06539	0.9
95.04950	2.4
95.08585	10.0
96.08099	0.8
97.02869	5.9
97.06481	4.8
97.10159	1.1
98.06007	0.6
99.04417	4.4
100.07574	0.9
102.05520	1.2
103.03943	1.1
104.07067	1.0
105.01852	3.9
105.07003	4.8
107.08598	5.1
109.02865	10.2
109.10146	4.7
117.06975	0.9
119.08553	2.9
121.10134	3.4
123.04534	0.6
123.11686	0.9
127.03884	13.0
129.01801	0.9
129.82828	0.6
131.08597	1.1
133.10161	3.6
135.11644	2.7
137.05980	0.7
137.09666	0.6
140.00325	0.5
143.03342	0.7
145.04965	2.6
147.11705	1.0
149.13287	0.8
153.01819	2.6
159.02873	2.9
167.36728	0.6
176.96481	0.7
218.06145	0.6
231.20911	0.7
248.23643	0.6
250.98097	0.6
260.23642	1.1
278.24692	9.2
296.25803	9.0
314.26840	14.9
332.27878	32.1
346.93076	0.6
355.11862	1.0
355.19598	0.6
374.28909	1.1
383.11108	1.5
494.33133	0.8
516.38519	0.5
526.29816	0.8
534.48688	0.6
536.34174	6.2
562.32129	1.0
571.06525	0.6
580.33203	68.1
581.33710	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	580.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	4.4
54.82326	1.9
55.01855	14.8
55.05507	37.8
55.19810	2.1
57.03431	15.9
57.07061	2.2
58.62950	2.1
61.02896	5.4
67.05492	39.3
69.03404	11.9
69.07050	29.7
71.04990	16.8
71.08611	2.0
73.02879	2.4
79.05473	51.9
80.06234	2.3
81.03393	21.4
81.07037	85.2
83.04984	16.0
83.08596	26.1
83.10095	2.2
85.02902	26.4
85.06510	2.2
90.87680	2.2
91.05461	36.8
91.69993	2.1
93.07031	43.0
95.04947	21.4
95.08582	23.2
97.02860	3.0
97.06509	17.2
97.10148	36.3
99.08047	2.2
100.11217	3.5
105.07007	28.2
107.04940	17.9
107.08565	33.7
109.06499	14.3
109.10135	16.8
111.04449	17.6
111.08069	10.1
117.07008	10.0
119.04919	2.9
119.08560	35.7
121.02814	3.2
121.06483	11.6
121.10097	14.2
123.04459	3.9
123.08045	27.6
125.05939	2.6
125.09608	33.4
127.03864	2.4
129.06989	12.0
131.08543	14.2
133.06488	5.1
133.10066	19.0
135.08018	12.5
135.11668	14.3
137.09575	11.3
143.08578	5.2
145.10104	22.2
146.27510	2.3
147.08020	14.6
147.11661	12.1
149.09570	10.2
149.13297	2.4
153.01810	4.6
153.09096	3.2
153.12714	9.3
157.10092	9.4
159.08031	4.6
159.11705	9.4
161.09578	5.0
163.11154	26.7
165.09065	9.1
171.11578	2.5
175.11078	8.9
181.12210	8.6
184.07581	2.3
189.11224	15.6
191.10654	3.6
193.12164	4.1
220.45885	2.6
227.12738	4.7
245.18967	2.8
255.17448	2.5
273.18390	29.1
283.15256	2.7
291.19504	68.2
309.20477	5.0
347.22015	4.8
365.23166	100.0
383.24222	57.3
417.11731	2.3
534.95013	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	579.5131
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24990	3.1
53.46869	3.2
54.56538	3.4
55.05509	29.7
57.07080	4.4
66.48801	3.7
67.05497	34.5
67.10860	3.2
69.07040	44.1
79.05476	30.1
81.07034	100.0
83.08614	9.8
84.58810	4.2
85.06516	4.3
91.05467	8.9
92.08681	6.2
93.07027	56.4
95.08577	82.0
102.88380	3.9
105.07007	55.9
107.08579	59.1
109.10113	54.6
111.08032	6.2
119.06112	4.3
119.08553	39.8
121.10128	51.3
123.11662	33.3
131.08545	8.1
133.10103	29.0
135.11703	23.8
137.13239	8.5
145.10068	20.0
147.11662	23.6
149.13240	22.7
153.12773	4.4
157.10121	6.1
159.11688	23.3
161.13242	28.7
162.50911	4.2
163.14801	18.4
171.11774	5.3
173.13248	27.4
175.14792	16.3
177.16342	6.2
182.29880	4.4
187.14774	19.2
189.16281	7.4
199.14629	5.3
201.16353	6.4
203.17908	8.2
204.68935	5.1
215.17877	5.7
249.38795	4.8
529.48694	5.0
561.49902	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	580.332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	8.0
54.81623	1.1
55.01871	12.0
55.05500	44.4
57.03423	29.9
58.12967	1.4
59.04962	1.5
61.02911	16.1
65.03919	3.0
65.82452	1.3
67.05486	95.1
69.03416	14.8
69.07047	27.2
69.61520	1.2
71.01321	6.4
71.04961	10.6
73.02878	7.5
79.05470	73.8
81.03388	26.5
81.07032	100.0
82.57840	1.3
83.04952	27.7
83.08586	14.6
83.24760	1.4
85.02887	19.1
85.06509	7.0
91.05453	69.4
93.07014	69.5
95.04947	24.2
95.08576	40.7
97.02864	12.0
97.06500	15.6
97.10155	6.5
99.04429	2.3
99.08049	2.5
105.07002	38.3
107.04932	11.3
107.08557	35.3
109.06480	8.6
109.10103	12.3
111.08034	2.7
117.07008	11.0
119.08538	25.0
119.11041	1.3
121.06472	7.2
121.10103	13.5
123.08049	7.8
123.11680	7.1
125.09599	1.9
127.03868	2.4
128.06241	2.3
129.05478	3.4
129.06969	7.5
130.07744	2.1
131.08533	15.8
133.06473	2.2
133.10103	23.6
135.07983	6.9
135.11656	35.5
137.09599	2.8
142.07813	1.8
143.08539	6.5
145.10054	14.2
147.08012	2.0
147.11662	10.2
149.09557	6.4
149.13235	2.4
151.11140	5.8
157.10088	7.9
159.11722	6.6
161.09637	2.0
163.11124	6.8
165.12793	2.3
171.11673	2.8
175.11177	6.1
181.12189	6.9
187.13295	3.0
193.12231	2.0
215.25523	1.6
243.15924	16.9
253.14735	1.7
255.15826	36.2
267.15808	6.8
269.17407	6.2
271.15463	1.9
275.20020	2.3
285.16843	3.1
291.19305	2.5
302.58585	2.1
349.23608	5.5
371.72452	1.5
508.50784	1.5
580.20081	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.2703
Annotation	Unknow
Peak:m/z	Relative Intensity
59.07558	0.2
67.05487	0.4
67.33862	0.1
68.65675	0.2
69.03406	0.3
71.04969	0.8
75.74286	0.2
79.05462	0.2
81.07040	0.3
85.02885	1.1
85.52968	0.2
89.80984	0.2
91.05434	1.3
93.07021	0.3
95.04893	0.2
95.08627	0.3
95.39996	0.2
103.05498	0.2
105.07013	3.8
107.08585	0.2
108.18690	0.2
119.08521	0.2
123.04391	3.3
123.11700	0.3
127.03884	0.2
131.08487	0.2
132.08084	1.1
133.08855	13.0
133.09995	0.6
135.04315	0.3
139.03880	0.8
147.04411	0.8
148.11189	100.0
149.11539	0.7
153.01801	1.2
163.03893	0.3
207.45842	0.2
255.06461	5.7
255.10454	0.2
273.07520	0.4
287.05508	0.2
307.20142	0.7
371.07559	1.1
415.09988	0.9
537.81757	0.2
579.17957	0.3
579.26941	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	579.5136
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04383	13.9
51.23626	12.4
52.97192	14.9
54.82090	16.1
55.05488	27.8
63.70929	13.8
63.87157	14.3
63.96027	14.6
67.05512	24.4
69.07057	19.2
81.07046	100.0
82.18136	13.5
83.08614	13.3
92.09332	26.7
93.07024	35.4
95.08581	81.5
105.07016	57.4
107.08564	57.1
109.10154	31.4
109.46725	16.6
119.08557	33.2
121.10147	35.5
123.11716	24.2
130.06535	17.7
130.65707	14.7
135.11642	15.2
145.10150	25.3
172.00845	17.1
187.14720	18.0
219.63258	16.6
257.22519	25.6
298.26031	17.8
304.72842	16.1
311.47815	18.3
394.23767	15.5
608.46338	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	579.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	0.9
55.01863	1.3
64.82851	0.5
67.05503	0.8
68.99780	4.9
69.28371	0.6
81.03391	3.8
93.03392	0.8
95.04938	0.7
99.04401	0.9
105.03335	0.8
107.04919	4.5
109.02882	4.0
111.00791	3.1
111.04438	4.6
112.25803	0.5
115.05386	0.9
117.03357	0.8
119.04903	1.3
121.02847	1.0
123.04409	44.2
127.03895	100.0
131.04890	2.5
135.04396	37.8
137.02310	3.0
137.05899	0.6
139.03883	53.0
141.06956	1.0
143.04941	0.6
144.75345	0.5
145.06418	0.7
147.04367	6.6
149.02280	4.3
149.05980	1.3
151.03905	6.6
157.06454	0.7
159.04379	2.9
161.05965	4.1
163.03882	32.7
165.05492	4.9
165.92320	0.6
167.03383	8.7
169.06482	1.1
173.05988	4.6
175.03896	3.9
177.05452	5.7
179.03333	4.2
179.07030	0.7
187.03818	8.6
187.04999	0.5
187.07652	0.7
189.05455	3.5
191.03371	13.8
193.04939	5.0
197.05937	4.5
201.05455	7.6
203.03368	12.0
203.07091	1.2
205.04935	2.9
207.06595	1.1
213.05431	2.2
215.03436	1.1
215.07018	3.4
217.04971	2.3
229.04941	8.7
233.04364	6.0
241.04999	1.0
243.06467	4.7
245.04376	9.0
247.06000	11.1
251.05339	2.2
253.04694	0.9
255.06381	2.3
257.04379	10.4
258.05017	0.9
259.05902	6.9
269.04440	2.9
271.05939	14.1
273.07526	0.8
275.05447	8.8
283.06039	6.5
287.05441	18.6
289.07007	7.5
291.08542	9.3
299.05484	2.2
301.07028	8.6
303.08649	0.9
361.49222	0.7
409.09097	16.0
411.10742	1.4
427.10144	5.6
457.83630	0.8
540.21039	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1699
Annotation	Kaempferol 3-rhamnoside-(1->2)-rhamnoside
Peak:m/z	Relative Intensity
53.03926	0.5
54.31658	0.3
55.01836	0.5
55.05513	3.8
56.87023	0.3
57.03427	11.8
59.04973	0.9
61.02914	0.5
67.05482	1.8
68.99773	0.9
69.03419	4.8
69.07066	0.4
71.01324	0.7
71.04976	60.2
73.02534	0.6
73.02895	9.9
73.46797	0.4
74.28053	0.3
75.04465	2.7
79.05504	0.4
81.03397	0.6
81.07032	0.6
83.04466	0.4
83.04966	14.8
85.02887	65.7
87.04440	1.9
93.07014	0.7
95.04944	2.1
95.08612	0.4
96.06347	0.3
97.02854	0.9
99.04435	3.8
107.04966	0.6
107.08509	0.4
109.02853	1.5
109.06567	0.4
109.10136	0.5
111.00801	0.6
111.04418	9.1
113.05962	0.8
117.05470	4.4
119.08575	0.6
121.02842	4.3
121.06499	0.8
121.10098	0.4
123.04303	0.5
127.03863	1.8
129.05453	12.6
133.02821	0.5
135.11670	0.4
137.02316	0.5
139.03883	0.7
147.06488	3.4
148.46194	0.4
153.01796	5.3
153.05415	3.0
157.04932	0.7
159.11642	0.5
163.05972	5.4
165.01828	1.9
171.06502	1.5
183.02832	1.5
183.06462	0.5
185.05878	0.5
189.07570	0.6
190.86467	0.4
213.05438	1.8
213.07385	0.5
239.09116	1.9
241.04892	0.6
258.05161	0.7
287.05435	100.0
299.05551	0.5
300.05908	0.5
311.05399	0.4
329.06558	3.7
353.06500	1.7
371.07529	0.6
379.08475	0.4
397.08914	2.0
415.09958	2.1
433.11383	2.8
457.18741	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1492
Annotation	Kaempferol 3-(4''-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02349	0.6
51.26318	0.4
53.03919	0.6
54.62432	0.4
55.01856	1.1
58.40269	0.4
60.87425	0.4
62.19763	0.4
64.92637	0.6
65.03912	0.8
66.11423	0.5
67.05473	0.8
68.80772	0.4
68.99768	4.3
69.03423	0.5
74.68769	0.4
77.03900	0.5
81.03390	2.2
83.04919	0.5
85.02917	0.6
89.03911	0.5
91.05454	2.2
93.03365	1.0
95.04929	2.4
99.04441	1.1
103.05420	0.9
105.03371	2.1
105.04494	0.5
107.04927	4.3
109.02862	2.9
111.00780	3.0
111.04424	3.1
117.03311	0.5
119.04921	4.9
121.02816	1.0
123.04398	100.0
127.03882	68.9
129.06961	0.5
131.04924	2.6
135.04379	36.6
137.02310	3.4
139.03871	33.2
141.06967	1.0
143.04871	1.9
145.06441	0.9
146.62584	0.5
147.04381	16.7
149.02321	3.6
149.05980	2.0
151.03822	4.0
153.06967	0.7
155.04866	0.6
156.86971	0.5
159.04390	4.4
161.05949	5.9
163.02481	1.1
163.03865	30.4
165.05411	7.0
167.03368	3.8
168.35611	0.5
169.06432	2.0
173.04634	0.6
173.05902	4.3
175.03848	2.6
175.07372	0.5
177.05414	4.0
179.03427	5.3
181.05002	0.9
183.04376	1.1
185.05905	1.0
187.03806	7.4
187.07458	1.0
189.05409	4.9
191.03345	10.3
193.04919	8.5
197.05875	4.9
198.03654	0.6
201.05396	6.9
203.03348	11.0
203.07068	2.1
205.04895	2.3
207.06493	2.6
213.05409	4.0
215.03366	1.2
215.07011	3.1
217.04948	4.0
219.02136	0.6
225.05414	2.2
229.04973	8.2
231.06528	2.3
233.04460	2.0
241.04921	3.2
243.06439	4.8
245.04367	15.3
247.05922	11.8
253.04803	0.8
255.06470	2.4
257.04361	17.5
258.05176	2.9
259.05972	3.4
265.04822	0.6
269.04446	3.2
271.05936	14.6
273.07516	0.8
275.05432	8.5
283.05917	4.8
285.07532	1.2
287.05423	29.6
289.07007	6.5
291.08505	9.5
299.05457	7.5
301.06973	6.0
303.08710	1.0
313.07092	0.6
315.08630	0.7
387.31635	0.6
402.43011	0.6
409.09070	22.0
411.10703	1.9
421.09021	1.0
427.09930	3.5
435.10602	3.2
439.10211	4.2
453.11429	0.9
561.13989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1494
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
53.03960	0.4
54.81640	0.5
55.01857	2.6
58.59362	0.4
62.94905	0.4
64.27369	0.4
65.03911	0.9
67.01836	0.7
67.05477	1.0
68.99770	4.2
81.03400	3.5
86.84319	0.4
90.56304	0.5
92.09256	0.6
95.04931	1.0
95.44522	0.4
102.55489	0.5
103.05434	0.8
107.04942	4.1
109.02863	2.9
111.00764	2.2
111.04412	3.4
113.20367	0.5
119.04893	1.8
121.02786	0.5
123.04400	39.4
127.03887	100.0
131.04893	2.7
133.06276	0.5
135.04388	36.1
137.02298	3.5
137.05959	0.9
139.03880	41.2
141.06972	1.1
143.04860	0.6
145.06517	0.6
147.04391	6.4
149.02299	4.6
149.05954	2.2
151.03873	6.1
157.06461	0.8
159.04376	4.4
161.05978	3.6
163.03865	30.4
164.66734	0.5
165.05449	4.1
167.03345	8.3
169.06430	2.5
173.05978	4.1
175.03899	3.5
175.07448	0.5
177.05490	4.0
179.03349	2.6
183.04349	0.7
187.03876	8.0
187.07523	0.9
189.05377	2.6
191.03357	12.2
193.04930	4.2
197.05966	4.6
201.05420	6.0
203.03372	7.5
203.06998	2.8
205.04947	2.7
207.06532	1.1
213.05382	0.9
215.03442	0.7
215.07036	3.7
217.04924	1.0
225.05516	1.8
229.04926	6.9
231.06491	0.9
233.04436	4.8
241.04903	1.9
243.06438	6.9
245.04387	5.2
247.05951	9.0
251.05241	1.0
253.04883	0.9
255.06471	0.9
257.04337	8.3
258.05063	0.6
259.05951	6.7
269.04352	1.9
271.05942	14.3
271.47061	0.5
273.07410	0.6
275.05481	8.5
283.06061	4.5
287.05426	13.3
289.06995	8.6
291.08542	9.2
297.07382	0.6
299.05353	2.5
301.06863	4.9
303.08594	0.6
409.09085	13.1
411.10812	1.0
427.10104	4.6
527.92682	0.5
569.27753	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	579.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01862	0.9
65.03918	0.8
66.52080	0.4
67.05461	0.5
68.99776	4.8
69.03401	0.5
75.22626	0.4
81.03388	3.6
85.02895	0.7
89.03917	0.5
92.08768	0.6
95.04930	0.8
99.04426	1.7
104.53023	0.4
105.03365	0.7
107.04937	4.7
109.02862	4.1
111.00768	1.0
111.04431	2.9
115.05466	0.5
117.03331	0.5
119.04893	0.7
121.02828	1.1
123.04401	36.6
127.03890	100.0
131.04893	2.7
135.04393	33.9
137.02333	1.8
139.03877	36.2
141.06949	0.9
145.06470	0.4
147.04402	6.1
149.02324	4.9
149.05956	2.3
151.03896	5.7
157.06407	0.5
159.04320	3.7
161.05995	4.2
163.03877	26.7
165.05428	3.9
167.03381	7.3
169.06413	1.6
173.05931	4.1
175.03838	3.6
175.07620	0.6
177.05431	4.0
179.03337	1.8
183.04413	0.6
185.05945	0.9
187.03839	6.5
189.05455	2.9
191.03386	9.5
193.04927	4.0
197.05916	3.9
201.05440	6.0
203.03351	8.5
203.07014	1.8
205.04927	2.7
207.06500	0.9
213.05420	1.8
215.03346	0.6
215.07007	2.4
217.04858	0.8
225.05447	0.5
227.06874	0.6
229.04926	7.1
231.06577	1.0
233.04362	4.1
241.04916	0.9
243.06427	5.4
245.04395	4.8
247.05940	8.7
251.05452	1.0
253.04871	1.0
255.06479	1.1
257.04434	7.5
259.05936	6.0
269.04425	1.0
271.05991	11.5
275.05420	6.4
283.05884	3.9
287.05450	11.6
289.06982	7.7
290.74194	0.5
291.08582	6.7
297.07538	0.6
299.05530	1.1
301.07059	5.3
409.09113	12.0
411.10529	1.8
421.08704	0.6
427.10226	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	579.1493
Annotation	Kaempferol 3-(2-(E)-p-coumarylrhamnoside)
Peak:m/z	Relative Intensity
51.02353	0.6
53.03934	0.8
55.01852	2.6
61.47321	0.4
65.03900	0.7
67.01838	0.4
67.05495	1.6
68.99778	6.2
69.03404	0.7
76.77505	0.4
77.03874	0.7
78.72478	0.4
79.05466	1.0
81.03386	2.4
85.02883	2.4
88.95618	0.5
89.03902	0.7
91.05443	1.8
93.03386	0.7
95.04943	3.9
98.97545	0.9
99.04443	0.8
103.05429	0.5
105.03350	1.7
107.04946	4.8
109.02874	3.4
111.00815	3.4
111.04423	3.7
115.05404	0.5
116.98592	0.6
117.03358	0.9
119.04915	5.7
121.02847	2.3
121.81168	0.5
123.04406	96.8
127.03892	100.0
128.06163	0.6
131.04916	2.9
133.02850	0.6
133.06450	0.9
135.04393	44.4
137.02301	5.6
137.05940	0.7
139.03880	34.1
143.04910	1.9
145.02834	1.0
147.04388	16.5
149.02307	5.0
149.05989	2.5
150.03018	0.4
151.03879	7.6
153.01796	1.0
153.07024	0.6
153.92809	0.4
155.04950	0.7
155.41653	0.5
157.06456	0.7
159.04372	4.2
161.05981	6.0
163.03874	38.1
165.01735	0.5
165.05431	7.1
167.03336	6.0
169.06479	2.5
171.04344	0.8
171.08072	0.5
173.05887	5.4
175.03902	3.4
175.07532	0.5
177.05424	5.3
179.03368	6.8
179.06993	1.0
181.04945	2.1
181.06459	0.8
183.04369	0.8
184.05034	0.4
185.05940	1.1
187.03809	8.8
187.07497	0.6
189.05461	4.9
191.03371	11.0
193.04922	8.3
197.06010	4.1
201.05452	9.0
203.03363	14.0
203.05136	0.5
203.07068	2.9
205.05002	2.1
207.06538	2.7
213.05486	3.0
215.03362	2.2
215.06961	3.3
217.04893	3.6
221.04401	0.7
223.06213	0.4
225.05469	2.7
227.06828	0.9
229.04913	7.2
231.06525	2.5
233.04433	2.4
241.04831	3.2
243.06436	5.6
245.04366	12.7
247.05984	11.5
253.04837	3.5
255.06468	3.1
257.04391	16.1
257.06952	0.8
258.05206	2.5
259.05920	4.8
269.04404	3.2
271.05945	18.8
271.08878	0.8
273.07678	1.5
275.05435	8.5
283.05914	5.6
285.07556	1.0
287.05441	27.1
288.05984	0.6
289.07053	9.6
291.08542	9.3
295.05923	0.5
299.05478	6.1
301.07101	4.7
303.08673	2.6
315.08392	0.6
367.08386	0.6
409.09070	24.0
409.14377	0.8
411.10818	3.1
421.09448	0.7
427.10016	5.6
433.10901	1.9
435.10666	3.9
439.10150	3.6
453.11951	1.0
579.15228	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3164
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67430	0.7
53.03930	1.0
55.01852	5.5
55.05267	0.9
55.05500	14.6
57.03428	5.6
59.74342	0.6
61.02899	3.1
64.79939	0.8
65.54895	0.8
67.05487	14.3
69.03397	3.8
69.07049	17.9
71.04965	1.0
79.05463	18.3
81.03397	7.4
81.06599	1.4
81.07035	30.8
83.04967	9.3
83.08593	10.2
85.02869	5.4
91.03906	1.3
91.05455	14.5
93.06483	1.2
93.07014	16.0
95.04935	9.7
95.08562	7.8
97.02853	4.7
97.06496	3.9
97.10131	10.4
99.00787	3.3
99.08057	0.9
100.59321	0.8
105.06996	13.6
107.04940	20.5
107.08565	14.3
108.05254	7.7
109.02857	5.3
109.05465	1.1
109.06497	5.8
109.10130	7.2
111.04410	4.3
111.08039	1.4
117.06982	6.8
119.04852	0.8
119.08552	12.6
121.02825	0.9
121.06454	5.5
121.10086	3.7
123.04398	5.3
123.08012	3.1
123.11648	1.0
125.05975	1.3
125.09602	9.5
129.06978	1.5
131.08531	4.7
133.06453	1.4
133.10092	11.2
135.08025	15.2
135.11639	1.7
137.05948	22.2
137.09570	4.5
138.06288	15.1
139.06471	3.3
139.07509	1.5
140.06696	1.7
142.48100	0.9
143.08514	1.3
145.04829	0.9
145.06422	3.6
145.10088	5.0
147.08015	3.4
147.11633	1.5
149.09622	1.4
151.11185	1.4
153.05453	1.0
153.09064	3.3
153.12727	1.4
155.08525	0.9
159.08031	3.6
159.11667	1.1
161.09547	4.9
163.07489	7.3
163.11113	3.0
173.09576	1.1
175.11198	0.9
177.09047	1.2
179.10645	1.4
181.12001	0.9
183.11798	0.9
189.09158	1.1
189.11072	1.5
193.12172	16.5
261.18405	2.0
271.16833	3.8
283.15573	1.2
289.17868	16.7
307.18906	5.2
307.22083	0.9
363.21539	9.5
381.22610	100.0
382.23105	1.3
413.56314	0.9
425.06024	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	578.3537
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00259	3.6
53.03946	4.5
53.22186	3.0
55.01860	17.1
55.05500	45.8
57.03420	35.7
59.04988	31.6
67.05492	73.4
68.80658	3.6
69.03410	24.5
69.07046	7.9
71.04969	8.6
79.05470	51.8
81.03400	100.0
81.07047	45.6
83.04971	32.6
83.08600	28.7
85.02897	6.1
87.04455	24.6
91.05464	52.0
93.07014	37.8
95.04950	48.5
95.08583	22.7
97.06474	4.7
97.10149	17.6
99.04472	5.1
105.06995	41.1
107.04950	23.5
107.08558	21.2
109.06506	8.2
109.10133	25.3
111.08065	9.0
116.04678	6.8
116.36153	4.1
119.08556	22.9
119.47834	3.8
120.12257	3.7
121.06512	6.0
121.10088	19.1
123.08003	5.5
125.09627	18.5
129.05452	30.3
129.06987	18.9
131.04909	4.2
131.08582	18.6
133.10115	16.8
135.11678	9.2
137.05968	5.5
145.10107	4.7
147.11671	10.0
149.09587	8.9
157.08636	15.4
157.10092	21.6
163.11082	3.9
167.50945	4.0
171.10146	4.5
173.11687	4.8
175.11192	19.0
189.11243	9.2
193.12234	27.1
194.07227	3.9
195.34851	4.3
211.13338	8.9
222.82230	3.8
227.12732	15.7
229.14330	16.4
247.13126	7.4
251.98712	4.3
267.15833	47.4
285.16962	8.4
301.16449	26.2
337.13016	4.4
425.33118	3.9
439.26822	17.8
493.27606	17.4
597.58441	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	579.1495
Annotation	Robinetidinol(4alpha-6)catechin
Peak:m/z	Relative Intensity
52.50022	0.8
55.01860	1.6
56.36881	0.9
59.59002	0.8
61.77608	0.9
65.94061	0.8
67.01893	0.9
68.99780	4.0
81.03389	2.2
83.01347	0.8
93.03394	0.9
95.04939	1.6
107.04945	3.9
109.02876	1.9
111.00771	2.1
111.04422	4.4
112.14959	1.0
113.62965	0.9
119.04957	1.9
121.02845	1.3
123.04403	50.2
127.03894	100.0
131.04915	3.8
135.04390	41.9
135.05371	1.6
137.02322	3.9
139.03882	58.9
145.06487	1.0
147.04356	7.9
149.02348	4.2
149.05965	2.0
151.02779	1.2
151.03888	8.7
159.04427	5.3
161.05981	4.5
163.03867	35.9
163.05164	1.6
165.05444	6.2
167.03389	9.0
169.04984	1.2
169.06398	1.5
173.05980	5.1
175.03914	2.0
177.05443	4.4
179.03427	4.1
187.03830	8.4
187.07481	1.2
189.05403	3.5
191.03308	10.6
193.04961	6.8
197.06021	5.7
201.05481	8.6
203.03351	11.8
203.07014	1.7
205.05019	1.9
213.05421	1.6
215.03484	1.4
215.07051	2.1
217.04919	1.6
225.05403	1.3
229.04878	7.4
233.04384	7.5
241.04967	1.4
243.06511	4.5
245.04388	6.0
247.06052	12.3
251.05392	2.0
253.04884	1.2
255.06529	2.3
257.04340	12.7
259.05917	7.6
269.04419	1.9
271.05975	14.5
275.05487	12.1
283.06006	6.7
287.05460	19.4
289.06934	9.1
291.08551	11.0
299.05432	2.0
301.06973	9.3
303.08374	1.7
311.79019	1.0
406.84796	1.0
409.09152	16.4
411.10556	1.8
427.10144	7.0
439.09756	1.6
533.48230	1.0
533.56299	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	577.4976
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	3.0
54.81960	1.5
55.05504	22.2
57.07076	2.7
59.05000	2.1
65.03949	2.4
67.05492	39.7
69.07053	37.4
79.05476	35.4
80.72517	1.5
81.07036	100.0
82.07346	1.6
83.08590	6.9
85.06484	2.2
86.89688	1.3
91.05461	32.9
93.07018	71.7
94.07337	1.4
95.04951	3.0
95.08579	85.0
97.06528	2.6
97.10098	5.9
101.90052	1.6
103.55884	1.5
105.06358	2.8
105.07018	51.5
107.08575	70.9
109.06462	2.1
109.10142	64.1
111.08020	1.7
111.11673	2.4
117.06992	3.5
119.08558	51.1
121.10115	49.3
123.08011	2.1
123.11682	20.4
129.07002	1.9
131.08553	16.7
133.10101	26.1
135.11665	27.9
137.13274	2.4
143.08548	6.2
144.09251	1.9
145.10133	25.6
147.11687	25.0
149.13216	22.3
157.10138	8.9
159.11673	24.6
161.13235	14.9
163.14825	10.9
171.11668	8.5
173.13251	14.0
175.14830	11.0
177.16374	9.2
183.11714	2.0
183.65334	1.6
185.13203	3.4
187.14810	9.7
189.16347	8.4
197.03371	1.5
199.14806	6.7
201.16360	6.5
203.17900	3.5
205.15910	1.9
213.16298	2.5
215.17885	3.0
217.19496	6.4
229.19412	2.7
243.20894	2.1
257.22534	2.9
382.06296	1.7
541.47125	3.4
559.48712	13.2
577.49463	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	577.4973
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99542	5.5
55.05509	12.4
59.04982	6.5
63.86220	5.6
67.05489	40.2
69.07047	15.9
69.94132	6.5
71.06934	7.4
76.55988	5.5
79.05473	33.8
80.54137	6.4
81.07035	100.0
91.05455	32.3
93.07021	88.1
95.04916	7.4
95.08577	90.2
105.07000	62.8
107.08595	72.5
109.10170	70.5
119.08580	44.2
121.10110	61.9
123.11706	29.0
129.99576	6.5
131.08534	10.8
133.10109	28.4
135.11668	31.9
145.10167	11.5
147.11694	14.4
149.13240	15.8
159.11690	12.9
161.13153	14.3
175.14809	12.4
177.16229	7.5
235.85257	7.4
334.26047	8.1
486.77362	7.4
541.61554	7.2
559.48151	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	577.4974
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42859	0.9
53.00284	1.6
53.03939	1.9
55.05507	16.4
57.07061	2.4
58.15402	1.1
61.61424	1.1
63.31736	1.2
63.90252	1.1
67.05492	41.7
69.07050	32.5
71.04977	1.6
79.05479	31.1
81.07035	100.0
83.08585	9.6
84.70822	1.4
85.06519	1.8
91.05457	26.5
92.08834	5.3
93.07023	85.6
95.04952	6.8
95.08584	77.5
97.06506	1.8
97.09560	1.3
97.10152	7.4
100.54515	1.3
103.64674	1.3
105.07016	55.8
107.08580	80.1
109.06520	3.1
109.10139	50.0
111.08058	1.7
111.11745	1.7
117.07005	5.5
119.08553	53.1
121.10119	52.4
123.11669	20.8
125.09627	7.3
127.32977	1.2
129.06932	1.5
131.08553	15.1
133.10118	33.4
134.48747	1.4
135.11676	33.5
136.76563	1.2
137.01129	1.3
137.13246	5.1
143.08507	2.4
145.10114	23.4
147.11679	24.7
149.13231	32.6
151.14873	1.9
157.10097	5.7
159.11681	17.4
161.13228	21.4
163.14793	10.8
171.11644	5.4
173.13228	8.3
175.14793	11.5
177.16316	5.9
183.11710	1.5
185.13229	2.7
187.14728	6.0
189.16354	11.1
191.17986	3.1
197.13205	1.9
199.14813	3.1
201.16362	6.1
203.18024	3.0
211.14700	2.0
213.16347	3.2
215.17924	2.9
217.19539	6.1
227.17897	1.4
229.19543	1.9
241.19373	1.5
243.21149	2.1
257.22491	1.9
269.22437	2.3
330.32428	1.3
541.47681	2.8
559.48755	15.1
577.49805	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	577.3735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	3.7
55.01864	8.7
55.05508	33.3
57.03424	16.0
67.05493	50.7
69.07052	21.3
71.04974	4.4
77.80672	3.5
78.93127	3.1
79.05463	46.0
79.82052	3.6
81.03398	45.5
81.07034	100.0
83.04968	17.0
83.08604	17.3
85.02900	16.0
91.05462	59.6
93.07018	39.3
95.04950	32.2
95.08566	31.2
97.06506	6.8
99.88488	3.6
105.07007	53.8
107.04960	16.4
107.08614	27.8
109.06515	23.1
109.10159	4.4
117.07004	8.4
119.08538	37.7
121.06511	5.2
121.10141	18.7
123.08044	5.3
123.11705	5.9
129.06996	9.5
131.08571	17.7
133.10091	19.6
135.08109	3.9
135.11604	5.1
136.04976	3.9
145.06442	4.1
145.10097	16.9
147.11700	22.7
149.09641	9.3
151.07422	4.3
155.08501	4.4
157.10162	17.7
159.11720	5.9
189.07468	4.5
193.12282	16.7
211.13254	7.1
267.15848	18.7
275.20041	28.3
288.83603	4.8
349.23767	17.1
367.24411	5.4
528.96240	4.5
541.35229	6.8
559.36011	24.3
577.36768	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	576.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.5
53.37887	3.0
55.05494	20.3
57.03421	16.2
67.05492	34.9
69.03398	4.9
69.07048	15.2
71.04978	7.8
79.05475	44.0
81.03403	100.0
81.07030	47.5
83.04953	16.6
83.08604	23.5
85.02879	34.3
91.05455	65.5
93.07030	29.4
95.04951	52.5
95.08576	18.3
105.07012	36.7
107.04931	25.9
107.08565	18.2
108.59380	3.7
109.06489	14.0
111.08060	4.6
113.05972	3.4
114.01312	3.4
119.08564	35.6
121.10143	13.7
123.04372	3.8
125.05957	4.0
129.06985	21.6
131.04880	4.7
131.08546	19.7
133.06403	4.7
133.10100	23.0
137.05934	20.2
138.06310	7.6
142.07811	4.8
147.11652	20.7
149.09596	7.5
157.10059	13.9
172.84929	4.0
175.11179	14.5
185.98302	3.5
193.12230	33.9
211.13243	28.1
238.95682	3.5
249.15192	4.5
267.15863	55.8
285.16858	13.2
385.23538	5.9
459.27295	37.5
477.28412	30.7
495.29288	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	577.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	4.2
55.01864	19.8
55.05503	72.2
56.21822	1.9
57.03418	20.0
57.07055	2.1
59.04996	2.5
66.28938	2.0
67.05141	3.4
67.05493	68.8
69.03410	4.3
69.07063	23.3
69.42155	2.4
71.04980	12.7
79.05470	83.5
81.03399	86.0
81.07033	70.8
83.04974	32.5
83.08602	48.8
85.02895	41.1
88.09068	2.3
89.56673	2.2
91.05457	67.3
93.07025	64.3
95.04943	90.0
95.08583	37.2
96.48980	2.3
96.79021	2.3
97.06510	13.1
97.10130	17.9
99.04440	13.8
99.08086	2.7
105.07017	60.2
107.04942	26.4
107.08575	48.1
109.06489	18.7
109.10148	12.1
111.04412	21.5
111.08059	16.6
117.07020	19.9
119.08565	45.3
121.06483	10.7
121.10133	31.7
123.04404	14.6
123.08018	11.9
123.11568	2.7
125.09607	13.2
125.69276	2.3
129.06966	22.4
131.08533	35.2
133.06487	5.6
133.10127	22.9
135.08051	4.2
135.11679	11.1
137.09641	3.8
142.07713	5.2
143.08530	4.2
145.10106	26.8
147.08017	5.5
147.11674	25.5
149.02350	4.5
149.09579	30.1
151.07538	3.0
151.11166	3.4
153.12674	3.5
157.10138	17.8
159.11697	12.4
161.13228	4.8
163.11192	26.1
169.10112	5.1
171.11610	3.4
175.11171	12.0
189.11198	3.4
193.12224	27.8
211.13264	33.2
223.13217	38.7
257.18967	11.7
267.15881	41.2
275.19998	37.4
285.16843	5.2
293.21027	28.6
349.23627	16.7
367.24774	12.2
541.34967	9.6
559.36261	49.9
577.37341	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	576.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03929	0.9
53.04182	0.1
55.01865	0.4
67.05485	0.2
68.66428	0.2
68.99795	0.2
76.55902	0.3
77.03889	0.3
79.05482	3.7
81.03366	0.2
91.05469	4.7
92.08644	0.7
92.63848	0.2
93.07008	0.9
95.04942	3.8
96.52690	0.2
103.05457	1.7
105.04482	1.0
105.07001	2.9
106.04192	0.3
107.04941	100.0
108.05241	0.3
109.06503	0.5
111.04421	1.2
114.18740	0.2
115.05450	0.3
117.07008	0.3
117.71817	0.2
119.04924	1.8
120.05740	0.2
121.02885	0.7
121.06486	14.1
123.04431	2.1
125.05952	1.2
131.04909	6.2
133.06458	3.7
134.07333	0.2
135.04402	1.0
135.05504	0.7
135.08054	1.5
137.05956	18.8
138.06772	0.3
139.07510	2.5
140.13127	0.2
145.06459	1.8
146.07314	0.4
147.04430	0.3
147.07971	0.4
148.05193	0.4
149.05997	3.1
149.07080	0.4
149.09613	0.4
150.06734	0.3
151.03879	1.0
151.07526	20.9
159.08052	0.3
161.05930	1.8
163.07494	3.4
165.05455	2.1
165.09116	1.2
167.07166	0.2
173.05974	0.3
174.06773	0.3
175.07526	1.8
177.05473	0.2
177.09097	2.1
179.07048	1.9
181.06490	0.4
182.07137	0.3
183.07993	0.3
189.09143	0.8
191.06981	1.9
195.08054	0.9
197.06070	0.3
197.09657	0.2
205.08646	1.9
210.06622	0.2
211.07549	0.3
212.08298	0.3
213.09088	1.1
223.07596	0.5
224.08374	0.2
225.05441	0.5
225.09067	0.4
227.10622	1.6
229.08499	0.4
238.09766	0.3
239.07042	0.3
240.07741	1.3
241.08591	0.4
242.09462	0.3
243.10083	2.2
253.08644	0.2
255.10143	4.3
256.10938	0.9
257.08276	0.2
257.09250	0.2
257.11685	2.4
269.11646	2.6
272.10388	0.8
283.13403	0.2
287.12714	9.4
297.11185	0.8
299.12723	1.9
311.12714	0.8
315.12286	1.7
329.13763	0.3
335.08984	0.2
340.14249	0.2
417.58514	0.2
587.87903	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2269
Annotation	Unknow
Peak:m/z	Relative Intensity
51.91248	0.1
53.00278	0.1
53.03935	0.4
53.71850	0.1
55.01861	0.3
55.05475	0.1
65.03917	0.1
67.05486	0.1
69.07023	0.1
72.35184	0.1
77.03858	0.1
79.05463	2.7
79.16126	0.1
81.03378	0.1
81.07036	0.6
85.06518	0.1
91.05441	0.4
92.09303	0.2
93.03355	0.1
93.06995	0.3
95.04922	1.5
95.08543	0.1
95.40838	0.1
97.06506	0.1
103.05451	0.6
105.04473	0.3
105.06995	0.4
107.04926	49.4
108.05244	0.1
109.06494	0.7
111.04397	0.1
119.04904	0.1
119.08539	0.1
121.02811	0.4
121.06485	0.8
122.03595	0.7
123.04393	2.2
123.08030	0.1
125.05955	4.8
130.79904	0.1
130.90140	0.1
131.04900	1.5
131.08479	0.1
133.10072	0.1
135.04483	0.1
135.05492	2.1
136.88501	0.1
137.05939	100.0
137.22893	0.1
138.06276	0.4
149.05936	2.0
149.15080	0.1
151.07524	0.6
153.05431	5.0
161.05907	0.3
165.05473	0.5
165.06728	0.1
167.06964	0.1
177.05402	0.1
179.06970	0.8
195.06422	0.1
195.08223	0.1
227.10670	0.1
255.10062	1.0
264.95691	0.1
273.11124	2.5
301.10580	0.9
303.12152	0.6
344.35773	0.1
407.14661	0.3
439.61215	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	575.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.6
53.65876	4.1
55.01864	30.6
55.05503	67.9
57.03423	10.9
57.42053	4.3
59.04997	5.4
67.05484	72.8
69.03384	7.9
69.07053	35.8
71.04974	10.0
76.16195	4.9
78.00331	4.8
79.05471	85.0
81.03404	7.0
81.07032	97.2
83.04960	34.1
83.08604	27.9
85.02873	4.7
85.20081	4.4
90.26540	4.7
91.05444	59.6
93.07025	79.3
95.04951	74.7
95.08582	37.8
97.06476	7.4
99.04459	5.3
105.07006	50.7
107.04922	33.1
107.08560	59.3
109.06503	28.4
109.10139	10.4
111.04396	9.4
117.06995	23.8
119.08548	53.0
121.06512	10.0
121.10135	25.4
123.08101	8.8
129.06940	5.4
131.08516	21.9
133.10074	19.9
135.11650	22.2
144.01030	5.7
145.10110	34.9
147.11700	6.9
149.09631	9.9
159.11688	9.6
163.11191	42.6
177.12604	5.0
181.12250	6.5
190.29433	5.1
213.16481	5.8
223.13260	30.3
275.20044	32.4
293.21170	6.7
349.22980	5.7
555.32922	5.2
557.34460	25.5
575.35547	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81578	0.2
53.00300	0.3
53.03928	1.2
54.48938	0.3
55.01854	1.4
56.89742	0.2
67.05489	2.8
68.99767	0.5
69.03407	0.3
73.06496	0.3
77.03906	0.2
79.05473	5.8
81.03383	0.6
81.07032	1.5
83.01319	0.3
85.02863	0.9
88.25323	0.2
89.67601	0.2
91.05475	1.8
93.03348	0.4
93.07001	2.1
95.04924	3.8
95.08591	0.4
98.07866	0.2
103.05437	7.9
105.04495	0.5
105.06990	0.6
107.04932	71.8
107.39632	0.2
109.06487	3.2
111.04435	0.5
111.08087	0.3
113.02330	1.0
114.69261	0.2
117.06963	0.3
117.52566	0.3
119.04940	1.0
119.08576	0.4
121.02832	0.5
121.06471	6.4
121.10133	0.3
122.03629	1.1
123.04395	6.6
125.05956	5.4
128.06197	0.3
129.06950	0.5
131.03436	1.7
131.04892	16.7
131.08549	0.4
133.06445	0.3
134.03607	0.3
135.04381	5.5
135.05508	1.9
137.05945	100.0
139.03923	0.4
139.07439	0.3
141.06952	1.4
144.05632	0.4
145.06381	0.4
147.04404	1.1
149.05951	8.5
150.06717	0.5
151.03880	2.2
151.07524	1.6
153.05447	11.5
153.06927	1.1
155.08548	0.6
157.06485	0.5
157.10136	0.2
159.08008	0.6
161.05956	2.4
162.03125	1.0
163.03799	0.3
163.07472	3.3
165.05438	7.4
165.06923	1.1
167.06987	2.5
167.08525	1.2
169.06444	1.5
170.07278	0.3
171.07968	0.6
173.09485	0.3
175.07581	0.5
177.05432	9.6
177.06886	0.6
179.07051	0.5
181.06450	1.9
182.07350	0.5
183.07994	3.1
185.05905	0.4
185.09557	0.3
186.06677	1.1
187.07487	7.4
188.08302	0.4
189.05490	0.4
195.06499	2.0
195.08055	2.2
197.05963	1.8
198.06735	2.3
199.07463	1.3
201.05423	1.4
201.09064	4.1
209.05925	0.5
210.06738	0.3
211.07500	0.5
213.09048	3.7
214.09781	0.3
215.07008	5.4
219.10060	0.6
223.07436	1.9
224.08168	0.4
226.06186	1.5
227.06934	1.2
229.08580	1.0
239.06883	0.3
240.07684	0.4
241.08496	3.7
242.09256	1.1
243.10036	0.3
247.09590	0.6
251.06990	2.0
254.05704	0.6
255.06290	0.6
255.09979	2.1
259.09464	0.4
269.08017	13.1
270.08823	1.4
271.09604	3.9
273.11093	2.3
283.09564	5.7
286.08292	0.4
287.09009	2.5
301.10626	58.9
303.12057	0.5
407.14786	26.3
425.16037	0.3
557.21503	1.7
575.22296	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	574.325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	2.5
53.03941	1.5
55.05497	8.8
57.03422	10.6
57.07064	61.7
67.05494	23.9
69.07063	16.1
69.49824	1.8
71.04986	1.8
71.08611	46.5
77.93018	1.7
79.05488	4.7
81.03374	2.6
81.04237	1.7
81.07036	26.8
82.20229	2.1
83.08594	18.0
84.96128	1.9
85.10162	25.1
91.05473	4.0
93.07034	9.6
95.08580	43.8
97.10139	8.7
104.38062	1.8
105.07023	7.9
107.08594	9.2
109.02847	9.0
109.10145	18.4
113.01187	1.8
119.08561	7.5
123.11655	4.3
127.03945	2.7
131.08469	2.7
133.10139	3.7
137.13220	2.3
145.10126	3.0
147.11604	2.2
157.10001	2.7
159.11755	2.3
167.75877	1.9
171.11687	2.5
172.12634	2.7
239.18890	2.1
239.21300	3.1
239.23564	25.3
257.24780	4.2
261.75003	2.5
309.62851	2.4
313.27280	100.0
331.28397	24.8
454.71729	2.2
470.78052	2.5
539.28424	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	575.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01847	0.6
65.03934	0.3
67.05499	2.4
68.99760	0.4
70.14681	0.3
77.37319	0.2
79.05476	4.9
81.07046	1.1
91.05479	2.5
93.03382	0.4
93.07014	1.7
94.04140	0.3
95.04939	3.0
95.08541	0.3
103.05450	8.9
103.69247	0.3
105.03337	0.4
107.04938	70.6
109.06490	3.3
111.04437	0.5
113.02380	1.3
113.23537	0.2
113.63545	0.3
117.34629	0.3
119.04906	0.4
119.08552	0.3
119.90545	0.3
121.06482	7.3
122.03584	0.5
123.04406	6.9
124.05195	0.4
125.05973	5.6
131.03355	1.5
131.04900	19.6
131.08675	0.3
133.06395	0.4
134.03609	0.3
135.04390	6.2
135.05516	2.0
136.37747	0.3
137.05956	100.0
139.03960	0.3
141.06961	1.4
143.08504	0.4
145.02792	0.4
145.06523	0.4
147.04414	1.1
149.05966	9.7
150.06717	0.4
151.03876	1.9
151.07538	2.0
153.05460	8.6
153.06836	0.9
155.08571	0.4
157.06465	0.7
159.08057	0.7
161.05934	2.9
162.03107	1.2
163.07512	4.9
165.05455	8.1
165.06871	0.9
167.07016	2.5
167.08392	0.7
169.06436	0.7
170.07280	0.4
171.08058	0.7
174.06694	0.3
177.05440	10.6
177.06955	0.5
179.06944	1.0
181.06474	1.3
182.07227	1.0
183.07980	3.3
185.09557	0.4
186.06741	1.5
187.07516	7.3
195.06680	2.2
195.07828	2.3
197.05939	1.7
198.06697	2.2
199.07523	1.7
201.05498	2.0
201.09053	4.1
203.07008	0.3
209.06017	0.3
210.06734	0.6
211.07574	0.6
212.08304	0.3
213.05443	0.3
213.09027	3.7
215.07021	6.2
215.32942	0.3
219.10185	1.3
223.07487	2.0
224.08337	0.5
226.06230	1.8
227.07040	1.6
229.08527	1.2
236.22089	0.3
239.06972	0.5
240.07756	0.5
241.08527	3.7
242.09357	1.1
243.06548	0.5
247.09602	1.7
250.11996	0.3
251.06802	2.1
253.08568	0.4
254.05650	0.5
255.06602	0.3
255.10146	2.8
259.09695	1.3
269.08047	12.7
270.08847	1.7
271.09601	2.6
273.11176	2.7
283.09579	6.6
286.08435	0.4
287.08969	2.9
301.10638	64.9
303.12119	0.5
315.12152	0.4
371.21524	0.3
407.14832	29.8
408.14853	0.6
425.15784	0.5
465.69772	0.3
557.21289	1.8
575.22369	0.6
575.35004	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	573.4661
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80048	4.1
55.05501	22.2
57.07057	5.1
58.71005	4.7
67.05489	59.8
69.07045	26.9
71.82758	5.2
79.05479	49.7
79.28084	4.9
81.07034	95.8
83.08598	6.9
91.05474	40.0
92.08669	22.6
93.07014	100.0
95.04931	9.5
95.08573	59.5
105.07004	77.7
107.08572	65.9
109.06458	5.3
109.10138	35.4
117.07002	10.6
119.06036	6.0
119.08550	72.9
121.10106	39.4
129.06978	6.2
131.08527	30.7
133.10110	29.3
135.11647	21.7
143.08551	25.4
145.10123	30.8
147.11661	25.4
149.13274	11.5
157.10066	9.3
159.11665	35.9
161.13206	22.7
173.13243	9.8
175.14842	8.7
187.14780	8.4
199.14842	6.9
201.16444	7.8
213.16457	5.9
256.26328	25.9
375.39410	5.6
392.77127	5.6
555.45428	21.1
573.47198	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	574.2794
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29199	1.4
55.05496	3.1
57.03416	2.8
57.07068	15.5
57.84317	1.6
58.30570	1.4
66.45133	1.5
67.05486	2.7
69.07051	2.9
71.08604	8.0
71.68404	1.7
79.05471	3.4
81.07028	10.2
82.07418	1.8
85.10137	3.5
91.05462	11.4
93.07018	9.9
95.04929	2.2
95.08588	8.6
97.10136	2.6
98.98437	20.7
104.16673	1.9
105.07011	8.3
107.04933	100.0
107.08587	3.2
108.05329	2.1
109.04832	1.7
109.10140	2.8
115.05497	2.1
117.06988	3.6
119.08575	3.3
121.06477	43.8
131.04893	8.5
137.05992	14.6
139.07504	9.1
145.06474	9.1
146.07277	2.6
147.07983	2.2
149.05943	19.2
151.07521	67.9
154.97929	2.1
155.00990	7.7
155.50798	1.9
157.06537	2.5
157.10089	2.1
161.82094	1.7
162.06717	1.7
165.09125	1.7
165.12242	1.8
177.09053	37.0
231.07971	1.8
237.09041	19.3
238.09816	3.4
239.10706	2.2
251.10565	3.6
254.09311	7.5
263.10641	12.7
269.11639	38.8
295.13208	4.0
313.27280	24.2
314.27670	19.1
401.17267	2.6
419.18317	2.1
546.04114	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	572.2709
Annotation	Unknow
Peak:m/z	Relative Intensity
58.14322	0.2
61.02912	0.3
67.05498	0.2
69.03413	0.4
70.06588	0.3
78.04677	0.4
79.05463	1.0
81.03410	0.3
81.07043	0.3
83.17016	0.2
85.02891	2.1
90.95724	0.2
91.05457	0.2
97.02867	0.3
103.05406	0.2
105.07037	0.9
106.04134	0.3
107.04931	1.0
121.06494	0.3
123.04415	2.8
124.05184	1.1
133.06493	0.5
137.05960	0.3
149.05975	0.8
152.04692	1.1
161.05943	0.8
161.80780	0.2
163.96007	0.2
166.06244	0.2
167.07007	100.0
168.07399	0.3
181.08546	0.3
193.08580	3.0
208.50211	0.2
211.09628	8.5
228.49933	0.2
478.64816	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.4882
Annotation	Unknow
Peak:m/z	Relative Intensity
54.91025	3.6
55.05494	27.1
57.03421	4.5
57.07058	6.2
67.05482	19.7
69.03384	3.9
69.07054	21.4
73.79695	4.2
79.05457	20.0
81.03410	54.5
81.07030	34.7
83.04948	23.0
83.08592	23.3
89.06020	5.0
91.05459	22.2
93.07013	8.3
95.04928	29.9
95.08571	19.9
97.10144	6.4
105.07008	24.3
107.08609	10.8
109.10120	7.3
111.08062	8.8
119.08515	9.4
121.10141	6.3
123.07896	4.7
128.32622	5.1
131.08578	8.4
133.10132	5.7
147.11681	6.2
157.10072	9.6
160.72594	4.8
167.65616	4.7
175.11116	6.1
193.12109	37.3
211.13252	100.0
241.93419	4.6
487.41074	26.0
534.46497	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	573.3033
Annotation	1-palmitoyl-sn--glycero-3-phospho-D-myo-inositol
Peak:m/z	Relative Intensity
51.45159	0.6
53.00298	1.0
55.05508	6.3
57.03172	0.8
57.03426	11.1
57.07065	45.5
58.90151	0.8
65.91388	0.7
67.05499	9.2
69.07043	8.2
71.08612	34.2
79.05466	2.9
81.03401	9.7
81.07030	11.7
83.08595	9.4
85.02880	1.1
85.10166	15.6
89.06007	4.4
91.05496	0.7
92.09286	0.9
93.07008	1.6
93.41566	0.7
95.08588	23.1
97.10149	4.3
98.98444	43.0
103.07545	1.1
105.07008	3.5
107.08524	0.8
109.02851	4.3
109.10142	8.9
111.11692	0.7
116.99497	1.0
123.11687	3.3
132.80980	0.8
148.88789	0.7
152.22728	0.8
155.01018	27.4
163.05986	1.2
239.23642	1.5
255.34105	0.8
311.84232	0.7
313.27304	100.0
317.06097	1.7
356.58862	0.7
381.36105	0.7
393.23898	4.1
401.28610	1.1
445.82544	0.7
459.10291	0.7
537.28351	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	572.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38242	0.2
53.03935	0.4
54.20297	0.2
55.01839	0.4
55.05507	0.4
56.21213	0.2
59.05008	0.2
60.05415	0.2
61.48646	0.2
61.91512	0.2
62.37650	0.2
65.03899	0.2
66.49258	0.2
67.05479	0.5
71.04973	0.2
79.05441	0.5
81.07035	1.1
84.60558	0.2
85.00636	0.2
91.05460	6.0
93.07011	1.2
95.04961	1.5
95.08578	0.5
105.04442	0.2
105.06985	0.9
106.04185	0.3
107.04942	11.4
107.08598	0.4
109.10133	0.3
117.06979	0.3
119.04907	0.3
119.08542	0.5
121.06483	29.8
123.08009	0.3
133.49353	0.2
134.18860	0.2
135.11705	0.3
136.05151	0.3
137.05949	2.9
139.07513	9.9
145.10175	0.3
147.04407	0.3
149.05983	0.5
149.07065	1.6
151.07521	100.0
152.07843	1.0
159.11580	0.3
165.93541	0.2
181.08519	0.2
267.10022	0.3
269.11636	1.1
287.12582	1.6
400.15414	0.2
459.35892	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	572.2698
Annotation	Unknow
Peak:m/z	Relative Intensity
55.18460	1.3
57.03435	2.0
65.03922	2.2
69.03423	1.7
70.06589	2.0
70.22118	1.4
71.04958	1.9
79.05475	2.4
85.02884	7.1
91.05459	7.4
97.02854	1.7
101.27460	1.5
103.05431	7.5
105.07005	15.0
107.04913	3.9
115.05376	2.3
117.07013	2.1
119.08569	1.7
120.07165	1.8
120.08026	1.7
122.03692	2.2
123.04385	6.7
131.04883	11.5
133.06477	12.2
135.08038	3.3
137.05956	69.7
139.03873	1.9
139.65114	1.7
145.06490	1.8
151.07510	14.8
157.06421	1.9
161.05960	9.5
163.07498	19.7
167.07005	53.7
174.06790	2.1
175.07497	7.3
177.09065	100.0
181.08586	2.9
189.09236	2.5
193.08569	48.1
194.11946	1.6
195.10135	3.0
203.10669	2.6
221.11678	19.2
259.54221	2.1
325.14478	4.1
357.16904	11.1
375.17999	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	572.27
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01834	0.8
59.87868	0.4
61.26614	0.4
70.06564	0.7
71.04971	0.6
78.04652	0.5
79.05473	3.4
79.38418	0.4
81.03387	0.6
81.07037	0.7
85.02892	2.7
89.51177	0.4
91.05465	3.7
93.06986	0.5
94.04175	1.8
95.04952	0.9
103.05444	8.9
105.07000	4.8
107.04936	6.9
109.02875	0.7
109.06528	0.8
115.05412	1.8
121.06481	0.7
122.03609	5.6
123.04425	3.1
124.05193	1.0
127.03865	0.5
128.06192	0.4
129.06943	1.0
131.04901	14.7
131.08594	0.7
133.06467	5.4
135.08012	4.8
136.05212	0.4
137.05952	100.0
141.06953	0.4
143.04898	1.7
143.08539	1.8
144.05650	0.6
145.06487	2.3
147.04408	0.5
147.06160	0.4
147.08058	0.8
149.05945	0.6
151.03729	0.5
151.07510	9.0
152.04645	1.0
153.05432	0.6
157.06451	1.7
158.07230	0.6
159.08051	0.8
160.05159	0.9
161.05928	3.4
163.07507	24.9
167.06998	55.8
171.08006	2.4
173.09587	1.8
174.06693	1.0
175.07497	6.9
177.09065	11.4
181.08540	0.5
187.07523	2.2
188.08287	0.6
189.09090	2.3
189.77426	0.4
193.08582	8.5
195.10112	0.6
201.09099	1.8
203.10611	3.3
205.10068	0.5
205.61060	0.5
207.10158	0.9
219.10112	1.0
221.11694	1.9
233.09683	0.9
233.11751	1.0
261.09039	0.5
265.12088	0.9
269.07266	0.4
287.05453	0.7
293.11673	1.8
325.14240	5.7
357.12366	0.6
357.16879	16.5
375.17914	17.7
397.71198	0.5
507.84692	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
55.63127	0.4
57.56263	0.4
69.03387	0.5
75.04453	0.5
79.05474	0.6
81.07058	0.7
83.01318	0.7
83.51991	0.6
85.02869	0.4
91.05445	2.9
95.04902	0.6
103.05451	17.1
105.03395	0.4
105.06998	0.9
107.04198	0.9
107.04932	22.5
113.02351	23.8
115.05425	0.9
119.08496	0.6
121.02846	1.1
121.06485	4.7
123.20827	0.5
128.06161	0.7
129.06926	0.6
131.02376	1.0
131.03363	33.3
131.04895	43.8
137.05959	10.3
139.03807	0.7
139.07506	0.9
141.07016	4.5
141.51678	0.5
144.05684	2.4
145.06468	2.3
147.04341	0.6
151.07529	15.2
152.06215	0.7
157.06462	33.2
159.04402	0.6
161.05940	1.0
163.07507	6.4
165.05475	2.3
165.06895	0.9
167.07098	0.9
167.08458	0.6
169.06433	11.1
170.07204	0.9
171.04369	38.9
175.07527	2.7
177.06999	0.5
181.06461	0.5
183.08000	2.0
187.07530	0.7
191.07013	0.7
195.08037	1.9
197.05925	11.1
198.06712	2.0
198.10689	0.5
203.07010	0.8
211.07393	0.6
215.07085	0.5
221.09889	0.5
223.07594	0.9
225.05461	6.2
229.08556	2.3
239.06885	0.7
243.06439	1.1
243.10100	2.9
245.07957	1.0
247.04910	0.6
251.06898	1.1
253.08389	0.5
257.08020	100.0
258.08276	1.8
269.08371	0.9
269.11649	6.0
283.09558	10.0
301.07007	0.9
301.10577	2.0
310.20007	0.5
312.09720	0.7
313.10593	0.6
327.12253	0.9
364.18939	0.6
407.14786	18.8
420.15390	0.7
421.16049	1.0
571.22443	1.2
587.79614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2323
Annotation	9,9'-Dibenzoylsecoisolariciresinol
Peak:m/z	Relative Intensity
55.01861	1.2
55.05505	1.6
65.15184	0.6
67.05485	4.0
69.03423	1.0
69.07053	1.3
79.01854	0.5
79.05458	3.0
81.07039	6.9
81.82018	0.7
83.04952	0.9
86.17186	0.6
87.28622	0.6
91.05458	3.5
93.07037	6.4
94.07342	0.6
95.04945	1.4
95.08585	3.3
103.05435	12.2
105.07012	5.6
107.01302	4.0
107.04936	19.4
107.08578	5.5
109.06496	3.7
109.10124	1.5
113.02345	10.0
117.06994	1.3
119.08598	4.9
121.02859	1.4
121.06464	4.9
121.10134	3.0
126.94931	0.7
129.06950	0.9
131.03403	19.0
131.04901	33.1
131.08554	2.8
133.06413	0.6
133.10100	1.5
135.04361	2.4
135.08000	1.1
137.05948	27.9
139.03880	3.0
141.06958	4.2
142.07796	0.8
143.08549	2.5
144.05626	1.3
145.06500	1.3
145.10109	3.6
147.11687	2.6
151.07533	7.5
153.05531	1.2
153.06984	5.5
155.08537	6.0
157.06471	11.8
157.10092	1.5
159.08009	1.2
159.11656	2.6
161.06038	0.6
163.07503	4.7
165.05449	4.7
165.06970	9.8
166.07707	0.8
167.08501	5.2
169.06454	16.4
169.09988	0.6
171.04376	12.4
171.08005	1.1
171.11615	0.8
173.05873	1.5
173.09631	0.8
173.13248	0.8
175.07555	1.2
177.06975	4.5
179.08603	0.9
181.06456	3.7
183.08018	38.2
187.07520	2.7
187.14771	0.7
188.08295	1.6
195.08018	14.7
197.05945	15.9
197.13272	1.0
198.06741	1.4
201.09064	6.4
205.06439	1.1
207.08055	0.8
211.07594	0.8
213.09007	2.5
215.06985	10.4
223.07504	15.8
224.08397	0.9
225.05473	1.2
229.08533	7.1
235.16386	0.7
240.07492	0.7
241.08484	1.3
243.06514	0.8
243.10132	4.4
245.08235	0.9
247.09700	2.7
251.06982	23.0
252.07555	0.8
253.08705	0.9
255.10196	1.3
257.08035	31.0
268.07236	1.6
269.08005	3.1
269.11606	1.4
283.09589	100.0
301.10641	24.0
391.15152	0.7
407.14825	9.9
409.22940	0.7
421.16269	1.5
433.16187	4.3
451.17438	12.0
472.85071	0.8
571.44849	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.3419
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48321	0.5
55.05503	1.0
56.59962	0.5
57.07067	8.0
58.06582	2.5
67.05483	0.8
68.38239	0.5
69.07063	0.7
70.06580	22.7
71.08272	0.6
71.08621	4.1
75.45656	0.6
79.05467	1.0
81.07038	1.3
85.10146	0.9
88.07613	28.9
91.05457	1.2
93.07024	1.3
95.04948	1.4
95.08546	0.8
102.09162	20.3
105.03371	21.6
105.07041	1.0
105.94032	0.7
107.04948	1.5
107.08578	0.9
109.10156	0.7
131.08553	1.1
137.05959	4.5
145.10132	0.9
149.02336	16.5
149.05960	100.0
161.06032	0.7
181.06529	3.4
193.04922	13.7
203.19763	0.6
225.09106	1.1
256.26288	48.5
297.07535	15.5
305.42917	0.7
310.87857	0.7
341.10132	62.7
380.49426	0.7
457.98819	0.7
570.34100	87.7
571.34241	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	571.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38083	0.3
53.03926	0.5
55.01854	2.3
58.10979	0.3
59.26188	0.3
67.05479	0.6
68.67853	0.3
69.03425	0.4
71.04958	0.4
71.98769	0.3
79.05459	1.5
83.01318	0.6
91.05438	0.6
95.04943	0.8
100.21146	0.3
103.04750	0.4
103.05444	13.6
105.03382	0.4
105.06998	1.3
107.01300	4.1
107.04939	13.2
109.06505	1.7
111.04421	1.5
113.02357	5.2
115.05460	0.8
117.06964	0.4
119.23850	0.3
121.02842	0.8
121.06461	2.9
131.03441	5.6
131.04904	35.3
133.06448	1.4
134.30579	0.4
135.04381	4.2
137.05957	23.8
139.03894	3.9
139.07518	0.5
141.06989	4.0
144.05682	0.5
145.06419	2.6
147.04335	0.3
148.05179	0.5
150.36026	0.3
151.03865	0.6
151.07513	4.0
152.06172	2.3
153.05643	3.5
153.06866	4.0
154.07791	0.6
155.08524	4.1
157.06445	1.6
161.05971	1.3
163.07535	3.6
165.05441	8.8
165.06961	12.0
166.07712	0.6
167.07216	0.6
167.08521	6.6
168.05634	1.6
169.06448	12.8
170.07143	0.6
171.04337	0.7
171.08031	2.0
173.09659	0.6
175.03821	0.5
175.07494	1.9
176.06250	0.5
177.05402	1.3
177.06970	6.1
178.07767	0.5
181.06410	3.5
182.07335	0.6
183.08015	33.3
184.08638	0.6
186.06790	0.7
187.07544	2.2
188.08307	2.0
189.09109	1.3
191.07008	0.4
193.07683	0.5
194.07236	1.9
195.08015	17.8
196.08708	1.5
197.04228	0.6
197.05937	15.3
198.06648	1.5
201.09062	6.4
205.06459	2.2
207.08044	0.6
209.05936	1.8
210.06732	0.4
211.07405	0.8
212.08342	0.5
213.09038	3.3
214.06113	0.4
215.07002	10.1
219.10207	0.5
222.06674	0.5
223.07498	17.3
224.08255	0.6
226.06259	0.7
227.06979	0.7
229.08536	6.6
237.09111	0.5
238.09889	0.5
240.07764	2.0
241.05002	0.5
241.08531	2.1
243.10139	2.9
247.09630	2.8
251.06978	23.6
252.07616	0.5
254.05701	0.5
255.06409	0.5
255.10109	1.8
257.04224	0.7
257.07996	4.8
265.08527	0.8
267.10211	0.5
268.07184	3.4
269.08057	2.7
269.11673	5.4
281.08014	0.4
283.09592	100.0
284.09882	1.2
301.10672	20.6
407.15097	0.5
433.16446	3.1
451.17435	7.8
586.93634	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.3
54.54976	0.3
63.20630	0.3
67.05480	0.3
69.03402	0.8
70.06570	0.4
76.75067	0.3
77.96912	0.3
81.03412	0.4
84.02034	0.3
85.02876	2.0
86.09653	0.4
91.05444	1.8
93.07053	0.4
97.02840	0.6
107.04934	1.3
109.02895	0.4
113.94238	0.4
115.05460	1.3
117.06995	0.6
119.08576	0.4
128.06207	1.5
128.76633	0.3
129.06972	8.9
131.04868	1.6
131.08536	12.2
137.05969	1.4
141.06972	8.3
143.03285	0.4
143.08525	0.7
144.05692	2.7
145.06458	2.0
157.06453	8.7
158.07225	4.3
159.08017	13.5
160.05142	0.5
161.05975	0.5
161.09566	2.9
167.06929	0.5
169.06413	4.0
169.07565	0.9
170.07245	2.8
171.08017	0.7
172.05147	0.4
173.05920	0.8
173.09543	0.4
174.06715	18.6
175.07489	5.0
186.06763	3.6
187.07513	4.1
188.08240	0.8
189.09053	38.0
191.07104	0.5
191.10629	2.9
201.09062	11.4
203.06990	0.6
204.07747	2.5
216.01169	0.3
219.10118	100.0
220.10417	0.8
221.11740	0.5
228.07365	0.4
230.88429	0.4
231.10124	0.8
233.11670	0.5
237.11145	2.0
249.11147	36.8
251.12894	0.6
267.12424	0.7
450.03983	0.5
569.31409	1.5
570.31586	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
53.23824	0.7
54.57031	0.6
55.01846	0.8
57.03426	1.6
57.13559	0.6
59.93492	0.6
61.02912	1.2
63.49925	0.6
69.03408	5.4
71.04971	11.5
73.02881	0.8
79.05470	4.3
81.03406	1.4
81.07056	0.7
83.04958	1.2
85.02887	25.8
87.04467	0.7
91.03860	0.8
91.05460	9.3
92.08687	1.4
93.06998	4.9
95.04926	1.8
97.02845	5.1
99.04478	0.9
103.05441	3.2
105.07004	3.4
107.04935	18.2
109.02829	3.6
109.06516	1.1
111.04424	1.2
115.05443	1.4
117.06994	1.6
119.04960	2.5
119.08512	0.8
121.06497	10.6
121.10086	0.8
123.04387	3.5
123.08012	0.9
124.05145	0.9
125.05974	1.0
127.03912	1.6
128.06152	2.9
129.05418	3.1
129.06979	19.0
131.04909	5.0
131.08540	10.0
133.06485	2.7
135.04402	5.2
135.08029	3.4
136.05219	1.4
137.05959	9.6
141.06972	5.5
142.45740	0.7
145.04909	1.5
145.06482	4.3
145.33334	0.8
147.04449	2.4
147.06467	1.2
147.08038	0.9
148.05161	1.3
149.05945	3.2
151.03888	1.4
151.07515	10.3
152.04640	1.2
153.05484	5.4
157.06470	13.2
158.07240	3.3
159.08017	5.8
160.05183	1.2
161.05939	14.9
161.09599	6.1
163.07498	10.1
165.06888	2.7
165.09021	5.1
166.06219	5.0
167.07002	46.1
167.08372	1.7
169.06479	1.2
174.06709	17.5
175.07484	9.6
177.05473	0.8
177.09152	5.1
179.07056	1.1
179.08566	1.8
180.08795	0.9
181.06366	1.6
181.06673	1.9
181.08543	45.2
181.10139	1.5
182.07271	1.1
183.07964	1.2
186.06767	3.9
188.08363	0.9
189.09061	49.5
191.06934	1.3
191.08504	1.0
191.10556	1.3
193.06383	1.3
193.08592	1.0
194.07191	1.0
195.08122	5.0
196.08772	0.8
197.09637	5.7
199.07538	3.0
201.09077	8.9
205.06502	1.1
205.10120	1.0
207.08270	1.0
207.10118	5.8
207.11858	0.9
208.08902	1.1
209.05965	0.8
209.09593	0.9
210.06636	1.6
210.82199	0.8
211.07323	1.0
212.08301	0.8
219.08141	2.3
219.10110	41.7
221.05809	1.1
222.06615	1.2
223.07541	2.9
223.11108	2.8
224.08206	0.9
225.09065	9.9
227.06960	3.5
235.07469	0.7
236.08092	1.1
237.09105	1.3
239.10706	1.0
240.07759	1.5
241.08606	1.3
245.07956	8.1
247.07495	1.0
248.08078	0.7
251.06946	2.8
251.10585	3.0
253.08487	7.4
255.06384	1.3
255.10117	1.5
257.08203	1.0
257.11633	8.3
265.08566	1.2
267.10162	1.1
269.08002	1.6
270.08795	1.4
271.13303	1.0
279.10013	1.1
283.09583	8.3
283.13177	5.5
285.11130	15.4
297.11087	1.1
299.09222	1.2
299.12680	1.4
302.11426	3.7
311.09180	0.8
311.12744	3.0
315.12265	8.1
317.13840	10.5
329.13852	1.4
331.15390	1.8
343.15308	17.0
361.16376	100.0
362.16519	1.1
373.16339	0.9
381.11432	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.1
55.01840	0.2
57.03419	0.3
61.02913	0.2
64.33573	0.1
67.05459	0.2
69.03388	0.8
79.05450	0.1
81.03377	0.2
85.02424	0.2
85.02887	3.0
91.05455	1.7
95.04916	0.2
97.02847	0.8
103.05425	0.2
105.07041	0.1
107.04925	2.9
109.02854	0.2
111.04356	0.2
115.05421	0.7
117.06956	0.2
119.04912	0.9
123.04399	0.2
127.03857	0.3
128.06174	1.0
129.06047	0.3
129.06978	7.1
130.07774	0.3
131.04890	0.9
131.08540	9.6
133.10074	0.2
135.04390	2.5
137.05913	1.0
141.06970	6.0
143.04881	0.3
143.08566	0.7
144.05695	0.9
145.04965	0.5
145.06453	1.0
146.07306	0.2
147.07983	0.1
148.05173	0.2
151.07521	0.2
153.06984	0.2
155.08553	0.2
157.06464	6.8
158.07242	3.3
159.04327	0.2
159.08018	8.4
160.05142	1.0
161.05927	0.2
161.09564	0.8
163.07486	0.7
165.06953	0.2
167.06985	0.6
168.05672	0.2
169.05002	0.2
169.06419	3.9
170.07214	1.5
171.08058	0.3
173.05952	0.6
173.09561	0.2
174.06718	18.2
175.07498	4.2
177.09067	0.2
183.08025	0.9
185.05937	0.1
186.06738	4.4
187.07481	0.8
188.06737	0.1
188.08177	1.0
189.09064	35.3
190.09595	0.3
191.06975	0.2
191.10638	2.8
201.09071	13.5
203.10614	0.3
207.10222	0.2
211.07698	0.4
219.10121	100.0
220.10414	1.0
229.08536	6.4
237.11153	1.6
249.11159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
62.38980	0.2
69.21321	0.3
70.94915	0.3
79.05493	0.6
81.07024	0.3
83.01093	0.4
86.09680	0.5
92.64280	0.3
92.95834	0.3
95.05006	0.3
95.08627	0.4
96.62140	0.4
105.06989	0.4
107.04980	0.4
109.10151	0.5
109.10881	0.3
121.06451	0.5
123.08088	0.3
137.02344	0.7
151.07520	0.3
156.65733	0.3
159.11679	0.3
163.03882	0.4
183.21956	0.4
184.94434	0.3
185.04308	0.5
201.03758	0.6
203.05295	1.8
259.07883	1.7
267.10297	0.4
280.11307	0.3
281.08069	1.1
331.09940	2.7
333.20331	0.7
345.11569	0.4
387.16193	1.2
389.22925	0.3
407.23929	3.1
416.60968	0.3
419.15039	0.6
427.19482	0.5
441.20978	4.1
443.22443	1.2
471.22021	0.6
499.21039	2.0
569.29205	100.0
570.29553	1.6
572.66223	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2929
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
58.65162	0.5
60.79219	0.5
67.05475	0.7
81.07022	1.0
81.23862	0.5
86.09669	0.5
95.08598	0.7
105.07002	0.8
144.82747	0.6
147.30034	0.5
184.07353	1.1
242.68634	0.7
259.07874	3.0
277.05530	0.7
357.83917	0.5
362.48169	0.6
407.23965	5.4
419.15085	0.8
533.02716	0.6
551.28369	0.7
569.29205	100.0
570.29700	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	570.218
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01869	5.4
57.03430	6.1
60.04536	0.8
61.02909	8.2
65.82143	0.6
67.21468	0.7
69.03416	18.4
70.14549	0.7
71.04964	1.8
73.02898	3.0
79.05486	1.5
81.03403	9.0
81.07028	0.9
85.02889	86.8
87.04436	1.1
91.03938	3.6
91.05452	21.4
92.09363	1.3
93.06996	0.7
95.04919	1.6
97.02868	23.7
99.04444	3.9
103.03910	1.0
107.04938	54.3
109.02853	8.5
109.10163	0.9
111.04411	3.0
119.04910	20.3
119.08531	0.8
120.05695	3.5
121.02840	3.2
121.10134	0.8
123.04398	4.6
127.03889	18.4
131.04875	1.4
135.03371	1.7
135.04395	44.9
136.05159	1.5
137.05957	1.4
145.04936	17.5
145.06435	1.4
147.04359	1.6
152.11484	0.8
155.08562	1.3
159.04399	0.8
159.08041	1.3
163.06041	5.8
165.06923	5.4
181.06488	1.0
183.07973	7.4
187.07562	1.1
189.09076	0.8
193.06453	1.8
211.07552	6.9
219.10106	1.3
229.08553	100.0
237.11191	1.0
241.08588	4.9
253.08369	5.2
265.08472	3.0
270.81732	0.9
271.09552	1.7
295.09589	1.9
314.89777	0.8
355.11316	1.3
359.83725	0.8
373.12579	1.0
381.46219	0.8
383.88043	0.8
391.13986	1.3
493.79434	0.8
516.42004	0.9
558.00330	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13672	0.6
51.87629	0.7
52.21461	0.5
55.01852	1.7
67.05479	3.0
68.99770	1.5
70.62851	0.7
79.05470	1.4
81.07033	1.7
91.05439	3.9
93.06998	1.3
95.04925	2.8
98.16623	0.7
103.05420	1.4
105.07001	1.7
107.04947	8.2
107.08549	1.4
109.06485	1.2
115.05402	1.0
117.07029	0.7
119.08504	0.8
121.02808	0.8
121.06483	5.6
121.10165	0.8
121.32761	0.7
125.05959	1.6
129.06976	1.3
131.04906	6.6
133.06470	1.1
135.04425	1.0
137.05930	8.8
139.03784	1.2
139.07532	1.1
144.05650	3.3
145.06467	1.7
151.07520	7.8
153.04178	1.0
153.05438	29.7
153.06764	1.5
155.08536	1.5
156.47203	0.8
157.06473	27.9
161.05948	2.9
165.05402	4.4
165.06955	10.2
167.08490	1.6
168.05650	1.0
169.06425	2.8
171.04366	1.6
171.08029	1.5
178.07681	5.3
179.08534	13.2
181.06462	6.6
181.08578	5.8
182.07193	3.4
183.07993	4.8
185.05957	3.2
189.07016	4.5
193.06451	6.8
194.07240	3.5
195.04285	2.7
195.07999	5.0
196.05199	1.4
197.06000	3.0
197.09604	0.8
198.06526	0.8
205.06477	3.0
206.07236	3.0
207.08005	16.7
209.05936	4.1
210.06738	6.6
211.07520	5.4
218.07253	1.2
221.05988	4.4
222.06743	5.2
223.07336	1.2
224.04657	1.0
224.08252	6.7
225.05426	4.4
225.08980	5.9
227.06927	3.1
234.06709	4.8
235.07510	18.1
236.08218	1.7
237.05225	0.8
237.09119	3.8
238.06168	4.4
239.07010	3.0
239.10632	3.8
251.06889	1.6
252.07820	5.0
253.08499	7.7
255.10135	2.8
263.06921	6.9
265.08743	0.9
266.05585	8.1
267.07254	1.0
267.10107	29.5
268.10861	3.9
281.08020	65.4
299.05664	0.9
301.08511	1.0
359.12726	1.1
372.09946	0.8
373.10489	1.2
387.12125	4.3
419.14795	100.0
569.21539	3.6
569.38135	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	569.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57505	0.1
54.83174	0.1
55.05503	0.4
56.31471	0.1
60.08163	1.1
65.03922	1.7
67.05491	0.3
68.31250	0.1
69.07028	0.1
71.07366	0.2
79.05470	0.2
81.07018	0.3
83.04958	1.5
83.59898	0.1
85.02859	0.2
86.09164	0.2
86.09688	3.9
91.05436	0.2
93.07018	0.2
98.98469	0.2
101.10189	0.2
104.10715	5.7
105.06992	0.2
105.11059	0.3
107.04938	0.2
107.08546	0.3
109.06413	0.1
109.36883	0.1
111.04425	4.4
117.20686	0.2
119.04919	0.2
119.08569	0.2
121.02840	100.0
121.10081	0.2
122.03178	0.3
124.99958	2.3
135.11716	0.2
137.02310	1.4
151.07567	0.2
167.07036	0.1
184.07294	5.5
249.07530	11.9
267.08572	1.3
277.46658	0.2
277.86307	0.2
303.04910	0.9
327.05057	0.6
337.40808	0.2
345.06131	0.2
351.81064	0.1
386.37527	0.2
417.99744	0.2
550.30908	0.2
568.32715	1.6
569.32526	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.9
55.01863	3.7
55.05485	0.9
59.98181	0.9
62.88146	0.8
67.45713	0.7
68.99783	1.1
69.07029	1.0
72.08134	1.5
79.05471	1.7
81.07037	3.8
86.09687	10.8
88.94614	0.8
89.49091	1.0
90.78548	0.8
91.05450	5.9
91.05933	0.9
92.09205	1.5
92.36217	1.0
93.07034	1.9
95.04987	3.2
95.08575	2.0
95.60722	1.0
103.05450	8.3
103.71812	0.9
105.07041	2.0
107.04945	8.2
107.08566	1.7
109.06508	1.3
115.05445	3.9
119.08574	2.2
121.06475	8.3
122.03616	1.2
122.46915	0.9
129.06961	1.8
131.04918	15.8
133.06512	1.4
137.05942	20.1
139.03961	1.4
139.07454	1.3
144.05704	4.5
145.06459	3.8
151.07530	11.7
153.05441	30.4
153.06740	1.7
155.08490	1.2
157.06458	24.5
165.05428	5.4
165.06973	10.4
167.08543	4.1
169.06454	4.2
171.04361	4.0
171.08018	1.6
178.07741	4.4
179.08559	12.2
181.06439	10.5
181.08459	7.0
182.07246	3.7
183.08017	4.6
183.13254	1.0
185.05939	5.5
189.06984	6.0
190.07799	1.2
193.06416	8.7
194.07222	3.9
195.04303	2.3
195.07971	7.2
196.08675	1.1
197.05971	3.7
199.07448	1.6
199.18089	1.9
205.06418	1.6
206.07184	1.8
207.08022	19.7
209.06021	2.0
210.06744	7.5
211.07532	5.4
217.06448	1.5
218.07251	1.3
221.05943	5.6
222.06764	2.1
224.04613	1.7
224.08310	5.5
225.05435	5.4
225.09068	9.1
227.07024	7.2
227.17641	1.7
234.06808	2.2
235.07507	17.9
237.05495	1.0
237.09081	4.5
238.06152	3.5
239.06947	3.8
239.10593	5.1
249.05409	3.7
251.06958	3.6
252.07712	4.3
253.08517	13.8
263.07007	7.6
266.05713	10.3
267.10132	29.7
268.10898	6.6
280.07175	1.3
281.08026	84.3
290.09235	1.1
305.11728	2.0
327.10281	1.1
331.13403	1.4
333.10944	1.1
365.13766	1.7
386.10510	1.2
387.12012	1.5
404.12296	1.1
419.14804	100.0
569.21619	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	569.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05510	1.5
60.36123	1.1
67.85493	1.3
68.73979	1.1
68.99772	1.9
69.55791	1.1
79.05450	1.6
79.55884	1.2
80.89713	1.2
81.07040	2.9
89.09444	1.4
91.05477	2.8
91.86993	1.3
93.07014	2.3
95.04926	2.6
105.07024	5.3
107.04945	8.3
107.57919	1.2
115.05479	1.6
119.08613	2.4
121.06483	6.6
123.04425	1.3
125.05952	2.8
131.04930	6.9
136.16177	1.6
137.05980	6.6
139.03857	1.3
144.05624	2.3
145.06454	1.5
151.07587	8.6
153.05431	21.7
153.06718	2.1
157.06453	28.3
165.05447	5.4
165.07024	6.4
167.08487	1.4
171.07979	1.6
177.06982	1.4
178.07764	3.0
178.59943	1.4
179.08478	11.1
181.06494	8.0
181.08630	1.9
182.07243	2.2
183.08047	5.9
185.05910	5.1
189.07013	2.3
193.06490	9.3
194.07312	2.5
195.08031	3.2
196.05197	1.8
206.07246	2.4
207.08035	18.7
209.05954	2.0
210.06775	4.8
211.07556	5.1
218.07278	2.2
221.06059	1.8
221.09512	1.5
222.06828	2.5
223.07532	1.5
224.08267	6.9
225.05420	1.7
225.09015	2.9
227.07014	2.4
234.06738	2.6
235.07509	13.9
236.08171	1.6
238.06226	2.7
239.10716	5.5
251.07014	1.6
252.07573	1.5
253.08519	9.1
263.06912	8.9
266.05682	8.5
267.10104	25.0
268.10983	1.6
281.08005	64.7
387.12476	1.7
419.14825	100.0
448.43555	1.3
569.37256	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	568.4272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54100	2.5
55.05497	16.3
57.07066	24.7
67.05495	21.7
69.07059	18.6
70.06555	14.3
71.08610	5.3
79.05480	27.6
81.07043	45.7
83.08610	3.0
85.10172	3.4
88.07616	21.1
91.05462	50.3
93.07014	60.7
95.04944	46.4
95.08579	28.3
102.09162	14.3
102.95396	2.9
105.07014	100.0
107.08578	47.6
108.86604	2.9
109.06521	4.5
109.10136	19.8
117.06979	33.7
119.08558	97.2
120.09360	5.0
121.10131	28.9
123.08060	13.6
123.11626	2.9
128.06216	14.4
129.06961	25.2
130.07745	20.0
131.08531	50.5
132.09308	6.3
133.10103	53.5
135.07994	3.6
135.11647	13.1
138.10393	5.2
141.06996	7.3
142.07739	21.7
143.08557	56.9
144.09311	19.3
145.10109	84.3
147.11668	24.3
155.08504	15.9
156.09306	17.4
157.10118	43.3
158.10861	7.5
159.11664	37.2
161.09550	4.6
165.06975	5.6
167.08525	12.9
168.09276	4.7
169.10071	28.8
170.10893	4.6
171.11679	35.0
173.13237	19.5
175.14774	5.6
179.08553	12.4
180.09238	5.1
181.10057	18.0
182.10939	10.8
182.39668	3.7
183.10237	3.6
183.11577	27.0
185.13243	20.9
187.14801	11.0
191.14232	5.6
193.10089	5.8
194.10910	6.0
195.11691	16.7
196.12421	3.6
197.13213	13.2
198.14040	3.2
199.14859	6.6
201.16425	5.5
207.11720	16.4
209.13205	24.8
211.14848	6.5
217.15926	4.6
219.11621	4.0
221.13268	5.6
235.14809	5.1
237.16254	4.7
247.14653	3.7
283.26309	17.9
284.29465	34.8
287.68472	3.1
311.29318	33.3
312.32489	12.7
338.25854	32.5
341.61710	3.3
430.32104	12.0
476.36218	19.7
568.42828	32.8
568.56543	72.1
587.90771	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95839	0.4
53.03921	0.9
54.26099	0.5
54.81934	0.5
55.01859	1.2
55.05508	0.6
57.03421	2.4
69.03409	3.8
69.07035	2.3
70.06582	4.1
71.04989	1.2
72.08121	1.2
79.05463	4.2
80.00285	0.6
81.03374	1.3
81.07047	2.4
83.04929	0.9
85.02896	9.4
85.06529	1.4
87.05928	0.6
91.05464	2.6
93.07014	3.6
95.04936	1.5
95.08570	1.4
97.02876	2.9
99.04421	0.8
103.05453	0.8
105.07011	42.8
107.04935	2.4
107.08566	10.4
109.02870	0.9
109.06522	1.4
110.40081	0.6
113.02329	0.9
115.05460	0.8
117.06989	0.7
119.08549	3.4
121.06480	3.4
121.10126	4.1
122.03610	2.6
123.04407	2.3
124.05170	0.7
127.03905	2.9
130.06485	0.6
131.04890	0.9
131.08537	12.1
131.22725	0.6
133.06461	100.0
133.10089	2.6
134.06834	0.9
135.08051	1.5
135.11696	0.9
137.05946	75.5
143.08539	1.3
145.09073	0.7
145.10028	4.5
147.08080	2.4
147.11629	1.0
149.09587	6.4
150.06721	3.1
151.07544	0.9
154.22935	0.5
157.07568	0.9
159.08075	0.7
163.05977	0.7
163.11214	1.5
163.14815	4.9
165.09064	46.5
173.13210	4.3
175.07506	3.4
175.14804	1.2
179.06969	1.3
183.10114	0.7
191.10648	3.6
191.14343	3.9
203.10628	1.2
207.10194	1.1
209.11647	8.6
227.12799	1.1
257.07968	0.7
258.08670	0.7
269.10089	5.1
307.11911	0.8
315.10706	9.9
325.12741	2.7
353.11957	0.7
353.16098	1.5
371.13568	0.8
389.14325	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.2959
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
53.16343	1.2
55.01873	1.9
55.05507	12.5
57.03425	6.2
57.07061	6.4
59.05001	1.1
61.02917	2.8
62.33702	1.1
67.05499	12.6
69.03418	24.1
69.07052	22.0
71.04974	9.1
73.02905	2.0
79.05475	12.7
81.03388	5.0
81.07037	26.4
83.04967	20.5
83.08589	12.5
85.02885	30.0
85.06531	15.3
86.09700	1.6
87.04459	1.2
91.05456	13.5
93.07021	21.7
95.04953	34.3
95.08602	15.4
97.02867	8.2
97.06515	18.8
97.10133	1.4
99.04446	7.5
99.08058	2.3
105.07018	39.5
107.08579	44.4
109.02900	2.2
109.06500	39.6
109.10150	37.6
111.04436	1.7
111.08054	8.1
113.09595	1.4
115.07557	4.8
117.06995	6.1
119.08562	62.5
121.06466	4.5
121.10115	31.8
123.04395	1.3
123.08058	7.3
123.11696	10.5
125.09609	12.9
127.03892	5.6
127.07518	1.7
129.06989	1.6
131.08540	35.0
133.10106	100.0
135.08020	13.1
135.11655	20.0
137.09663	2.5
139.11151	1.9
143.08470	10.1
144.09283	2.0
145.04968	4.9
145.10107	23.1
147.07997	1.4
147.11673	27.6
149.09627	13.6
149.13222	18.2
151.11188	8.2
153.09088	14.5
157.10083	1.4
158.10864	14.4
159.11490	1.3
163.11147	3.0
163.14818	12.2
165.12773	5.1
167.10738	4.9
167.14311	6.3
173.13225	67.4
173.94884	1.4
175.14783	71.4
191.10664	8.1
191.14290	50.4
209.11792	8.2
209.15323	61.8
209.17316	1.9
227.12749	13.2
227.16362	25.8
309.61774	1.4
371.20441	2.0
448.47263	1.4
514.08698	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	568.4271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02339	1.3
53.03936	2.5
54.81783	1.2
55.05502	13.1
57.07055	10.1
57.70789	1.3
67.05490	16.8
69.07046	10.6
71.17222	1.2
74.75871	1.4
79.05473	26.7
80.06258	1.7
81.07040	35.0
81.10538	1.5
83.08585	3.2
83.48551	1.5
85.06528	3.6
86.16407	1.4
90.71492	1.4
91.02966	1.4
91.05458	45.0
92.09093	3.4
93.07021	52.9
95.04944	42.2
95.08578	24.7
103.05419	1.5
105.07018	94.8
106.07819	2.4
107.08580	41.8
108.09357	1.8
109.06508	8.3
109.10168	15.7
115.05434	3.8
115.72574	1.5
117.06999	32.0
118.07784	2.5
119.08559	100.0
120.09358	8.4
121.10130	24.3
123.08080	14.7
123.11678	1.7
128.06227	13.1
129.06978	20.0
130.07762	10.7
131.07632	2.7
131.08548	61.2
131.09564	2.1
132.09338	9.4
133.10123	59.1
134.10912	1.9
135.08032	2.5
135.11685	10.7
137.09587	3.7
138.10399	1.9
141.06989	6.3
142.07753	23.0
143.08545	47.1
144.09315	11.3
145.10103	81.7
146.10847	1.8
147.11658	18.3
149.09587	3.2
151.11241	2.2
153.06955	2.0
154.07732	3.3
155.08537	19.8
156.09319	18.8
157.10112	48.1
158.10840	11.1
159.11661	41.5
160.12439	1.6
161.09546	5.7
161.13258	3.5
163.11072	1.9
165.06929	6.9
166.07703	3.2
167.08527	9.1
168.09315	6.9
169.10098	29.2
170.10878	9.1
171.11647	36.3
172.12552	4.7
173.13231	23.3
175.14754	15.6
177.12744	1.9
179.08516	9.3
180.09354	3.3
181.10126	18.3
182.10780	11.5
183.11652	27.2
184.12488	2.9
185.13161	22.0
186.13945	2.3
187.14781	7.7
189.12714	2.0
191.14198	5.8
192.09335	2.9
193.10051	8.2
194.10840	8.9
195.11647	15.3
196.12471	6.6
197.13217	21.7
198.13956	2.6
199.14796	8.7
201.16347	6.7
205.10162	1.9
207.11592	11.0
208.12384	2.9
209.13222	22.4
210.13976	2.7
211.14766	12.5
213.16368	2.8
219.11754	2.6
219.17479	1.8
220.12305	2.5
221.13246	6.9
223.14809	9.8
224.15538	2.3
225.16309	8.8
234.13998	2.3
235.14757	6.5
237.16385	3.2
239.17917	2.3
247.14732	1.8
249.16403	2.6
251.17918	2.1
257.19135	1.9
261.16287	2.8
263.18060	3.0
265.19550	2.5
275.18039	2.5
284.29291	2.5
285.21918	2.0
311.29532	2.9
323.23715	8.2
338.26041	32.6
430.32178	11.7
476.36627	20.9
568.42737	38.4
568.56378	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	567.3139
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68905	0.6
55.05509	0.9
57.03440	1.2
67.05506	4.3
69.03429	0.9
69.07081	0.7
78.77588	0.6
79.05508	2.9
81.03442	3.0
81.07036	4.3
83.05006	0.7
84.71420	0.6
85.02915	1.1
91.05492	3.4
93.07060	2.9
95.04999	0.8
95.08606	1.3
97.06544	0.8
98.32603	0.6
105.07035	1.6
107.04968	1.4
107.08598	2.1
108.04234	0.6
109.06513	0.7
119.08616	0.9
121.10152	1.0
131.08578	0.9
133.10194	0.7
149.09607	1.2
171.11736	0.7
193.12305	0.8
208.34735	0.6
212.18840	0.6
218.70818	0.8
251.12694	0.8
267.16104	0.9
283.15109	17.8
307.15372	1.5
339.17767	7.8
555.07526	0.8
567.31580	100.0
568.31635	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.9
55.01857	2.9
55.05502	1.2
57.03415	1.9
62.44162	0.6
65.03881	0.7
67.05473	1.3
69.03419	1.2
71.04967	0.7
78.04704	1.3
79.05466	7.4
81.02931	1.4
81.03392	36.6
81.07024	3.3
83.04965	1.4
83.44086	0.7
85.02872	1.9
91.05449	6.7
93.07024	0.9
95.04932	4.5
95.08582	1.5
100.11227	0.8
103.05426	6.5
104.38650	0.7
105.06980	6.3
106.04182	0.9
107.04932	16.8
107.08542	1.5
109.02834	0.9
109.10114	1.4
111.04440	1.0
115.05429	10.3
116.06168	1.1
117.06985	16.0
118.04175	1.1
118.41276	0.7
119.04934	0.8
121.06471	1.6
123.04404	9.9
124.05194	5.4
125.05949	1.4
128.06157	1.1
129.06956	5.0
130.04131	1.0
131.04877	4.7
131.08543	7.2
132.05682	1.1
133.06418	5.9
133.10065	0.9
135.04352	0.8
137.05934	4.6
140.04640	0.8
141.06952	4.3
142.08656	0.9
144.05647	8.3
145.06450	36.5
147.04355	1.4
147.08006	1.8
149.05908	0.9
151.07539	1.9
152.04677	3.8
153.05450	6.3
155.05975	5.8
155.07074	1.6
156.05649	11.2
157.06427	1.8
158.07225	0.9
159.08009	14.4
160.05161	3.8
161.05914	7.7
163.03802	1.1
165.05415	1.7
166.06148	0.9
167.06990	100.0
169.06407	1.3
169.07681	1.2
172.05101	2.9
173.05936	36.1
174.06731	1.1
174.48254	0.7
175.03943	1.1
175.07475	3.6
176.04698	1.3
177.05388	1.6
178.06197	1.2
179.06989	1.4
181.04893	4.3
181.06345	0.9
182.15392	0.9
183.06468	1.0
184.05179	3.7
186.06773	1.3
187.07472	11.6
189.05447	4.4
190.06204	25.8
190.07828	1.4
191.06932	7.5
193.08566	4.4
199.07533	3.4
202.06180	6.3
203.06955	4.7
204.07755	3.3
205.08549	26.7
207.06487	1.7
207.09941	1.4
208.05193	1.0
209.08067	4.1
210.06711	0.9
211.07375	1.2
215.07036	3.0
217.06430	0.9
217.08533	26.1
218.09218	0.8
219.08012	3.3
219.10158	5.6
220.07153	12.3
231.08028	1.2
232.07149	1.0
232.09181	0.9
233.05524	0.8
234.06761	1.6
235.07468	1.1
235.09499	8.2
236.08299	0.9
239.07173	1.2
241.08469	3.0
241.10754	3.0
245.09619	0.9
247.07402	3.0
247.09599	20.4
248.08290	3.6
249.09068	1.5
254.05536	1.0
261.08939	1.0
263.06827	1.0
263.10739	1.4
264.07758	3.8
265.08344	2.6
269.07993	6.6
271.09552	1.8
275.06821	1.4
276.07785	1.7
277.08508	2.9
279.12476	6.8
280.06854	0.9
282.08765	3.1
283.09207	1.0
285.07245	1.0
290.09320	1.8
291.09592	1.4
291.12183	5.0
291.14944	0.8
293.08026	3.0
294.08810	0.8
299.08969	3.3
301.10428	1.1
305.08026	1.2
307.09546	3.7
310.08505	1.3
315.08505	17.5
319.09415	1.7
321.07495	1.1
321.13300	3.1
323.12445	5.9
329.10233	5.4
330.10904	11.2
331.11588	1.2
336.10043	1.2
337.10629	1.4
339.14764	1.2
343.11661	4.4
351.12152	4.7
353.10071	1.0
355.11441	1.0
356.12595	0.9
358.13635	0.9
367.11478	1.3
368.12308	1.4
369.13409	1.7
371.14822	3.2
383.14786	7.9
401.15759	1.8
404.14432	8.2
417.14972	1.0
425.15552	1.4
445.17981	1.5
457.18631	6.5
475.19598	9.9
478.18219	7.7
531.21869	4.8
549.23145	7.2
566.42145	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	567.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92820	0.3
53.03907	0.4
54.65392	0.4
57.03408	0.4
65.36190	0.3
67.05489	1.3
69.03413	0.4
78.31658	0.3
79.05453	0.4
81.03358	0.4
81.07029	0.8
86.09673	0.6
91.05445	0.4
92.08657	1.5
93.06995	0.8
104.10683	0.4
105.06969	0.6
107.04926	0.6
107.08564	0.6
109.10130	0.4
121.06489	0.6
137.05931	1.6
143.08496	0.4
151.03799	0.4
165.05461	5.3
195.08080	0.4
211.07449	0.4
221.05898	0.6
226.06177	0.5
227.12599	0.4
261.09058	0.5
269.07990	2.4
277.08047	0.5
281.07983	0.4
287.10535	0.8
288.07791	2.0
299.06995	0.8
299.10342	0.6
303.10117	2.1
309.07651	4.9
314.09369	1.7
315.10016	1.5
316.07251	0.8
317.08047	1.8
317.11691	0.6
329.08127	0.4
329.11703	0.9
331.09619	4.2
333.07614	0.6
341.07913	0.5
342.08780	0.6
343.09515	1.7
345.07373	0.5
348.09955	1.5
357.11252	1.9
359.09055	4.3
360.10037	0.5
363.12247	0.7
371.09055	4.1
373.10803	1.4
374.11301	4.4
385.10657	1.7
401.10089	5.7
402.10974	2.0
413.09970	0.6
417.13239	100.0
567.19971	44.2
568.20282	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.3534
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	1.8
55.05501	9.5
57.03418	3.4
57.07072	2.3
67.05492	28.0
69.03415	8.4
69.07051	15.7
71.04977	8.7
78.97046	1.4
79.05479	12.8
79.12003	1.6
81.03398	2.3
81.07036	100.0
83.04932	2.6
83.08601	7.2
85.02885	16.7
85.06526	8.3
86.06057	1.8
89.97929	1.5
91.05461	9.7
93.07021	23.3
95.04937	8.9
95.08586	24.9
97.06505	10.4
97.10124	3.5
99.04439	9.4
104.63099	1.7
105.07011	25.7
107.05002	2.1
107.08573	37.2
109.02868	2.2
109.06496	12.0
109.09398	2.3
109.10141	62.9
117.07032	2.0
119.08591	13.5
121.10114	44.8
123.04397	8.3
123.08061	7.6
123.10793	2.3
123.11682	71.5
127.03904	8.0
127.07512	8.2
131.04895	2.4
131.08530	7.1
133.10081	25.7
135.11662	9.8
137.05963	2.2
137.09605	3.2
137.13220	2.8
139.03877	6.6
139.11153	3.4
141.12761	2.4
145.10071	11.4
147.11653	32.0
149.05922	1.6
149.09587	3.4
149.13268	2.5
151.11159	46.8
153.01804	20.5
154.02208	3.0
155.03392	1.6
155.08572	7.6
157.06575	2.0
157.10094	1.9
159.11719	7.0
161.13263	3.5
163.11183	9.3
165.05501	5.6
165.12727	21.4
167.10663	2.3
169.12134	3.5
171.11664	2.1
173.05948	2.8
173.09654	2.2
173.13260	7.6
175.07527	6.0
175.11124	2.6
175.14807	1.9
177.05493	2.5
179.10657	9.6
181.12248	1.7
183.08032	3.6
184.07297	2.7
187.13361	5.6
189.12737	2.3
191.10652	2.1
193.12248	9.0
201.09076	39.7
207.13867	2.2
215.10725	2.0
217.16212	2.0
219.10144	2.2
225.09000	2.7
229.14349	3.3
235.16795	2.8
243.10031	3.5
261.11105	3.5
297.21997	6.3
315.23111	22.7
333.24167	84.8
333.28149	3.6
351.25223	71.6
369.13443	1.8
369.26331	21.4
463.57870	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	566.2807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	3.1
55.05499	18.0
55.41143	3.8
57.03427	14.5
59.04974	3.4
59.96047	3.6
62.52356	2.9
65.61626	3.0
69.03406	19.4
69.07053	4.6
70.06557	3.5
70.12375	3.0
71.04979	48.3
79.05482	5.2
81.03391	3.4
81.07034	17.7
83.04964	82.2
83.08604	5.1
85.02895	100.0
91.05490	5.6
93.07028	30.6
95.04979	4.4
95.08582	6.7
97.02872	16.2
97.92239	3.4
98.01486	4.6
99.08092	4.1
100.11236	26.3
101.58236	3.6
103.42662	3.5
105.07016	5.4
107.08570	23.7
109.02902	3.7
109.06490	5.6
109.10158	4.9
111.04418	60.9
112.57848	3.9
119.08570	14.7
121.06467	13.0
121.10032	10.8
123.08063	7.4
127.03874	7.7
129.05486	15.6
133.10127	4.9
135.07977	4.6
135.11662	41.5
137.09576	58.8
139.03879	7.6
142.23697	3.8
145.04974	6.6
149.05972	3.9
149.13223	12.9
153.05350	4.1
159.11710	15.1
163.07452	3.7
177.12721	69.8
181.08600	12.7
189.85498	3.6
195.13783	99.3
196.16821	4.3
205.12186	7.7
213.77388	3.5
223.13228	58.7
241.14304	79.8
271.05853	25.4
272.06174	25.0
388.84579	4.1
437.07416	3.7
566.42267	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	566.223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18583	0.9
53.03942	1.1
55.01857	2.4
55.05503	2.0
57.03427	34.8
61.02915	10.3
62.10094	1.1
63.83889	1.2
67.05473	2.8
69.03414	35.6
69.07049	5.3
71.01333	5.2
71.04998	4.8
73.02899	62.2
79.05470	5.5
81.03397	6.1
81.07033	10.4
83.04959	2.0
85.02888	54.3
87.04423	1.6
91.05437	2.9
92.09361	2.1
93.07024	9.5
95.04951	3.3
95.08589	3.1
96.04437	1.5
97.02868	49.4
97.06497	6.9
100.11228	2.6
103.03920	1.2
105.07001	5.2
107.04938	100.0
107.08591	7.4
109.02894	5.1
109.06457	1.7
109.10144	10.8
110.66179	1.3
115.03904	22.8
118.19957	1.5
119.08652	1.3
121.06464	8.4
121.10132	13.1
123.04389	6.4
123.11633	3.1
125.09648	1.3
127.03061	1.3
127.03852	11.7
127.07513	1.5
133.04942	6.5
133.10107	2.6
139.03879	14.1
145.04897	9.1
145.10100	2.1
147.11642	2.2
149.05969	12.9
150.07571	4.8
151.11130	8.3
159.11700	1.6
161.05952	2.6
162.07593	1.4
163.03835	1.9
169.12238	1.5
180.08647	2.4
184.07257	1.6
219.10133	6.3
223.06071	1.5
242.05222	1.1
255.10088	22.2
297.11108	2.3
312.12769	2.1
315.06702	1.9
315.23196	2.3
321.11270	1.7
333.24121	2.4
351.25430	9.5
369.26169	2.2
446.80240	1.4
481.70963	1.3
515.06458	1.5
539.44629	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	565.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05960	0.2
53.82541	0.2
55.05509	0.3
57.03421	0.3
61.92537	0.2
63.62938	0.3
67.05488	0.4
68.99744	0.4
69.03410	0.6
71.04961	0.6
73.25249	0.2
81.07008	0.5
83.04945	0.3
85.02898	1.9
86.09672	1.4
89.37566	0.3
91.05461	0.6
93.07005	1.5
95.04937	0.6
97.06487	0.3
99.87842	0.3
105.07013	3.8
107.04926	1.1
109.10067	0.4
111.00764	0.3
117.06989	0.4
118.06465	1.3
119.06477	0.5
119.07294	11.2
119.08579	0.4
123.04395	22.2
132.10240	0.3
133.10068	0.3
134.09624	100.0
135.04419	2.5
135.09978	0.4
137.05956	0.5
139.03841	4.0
147.04382	3.2
163.03827	1.4
163.07484	0.5
189.05444	1.1
255.06238	0.3
273.07510	5.8
287.05396	0.6
293.18503	5.9
294.02020	0.3
300.33246	0.3
404.17114	0.7
427.22055	0.3
479.23276	0.3
565.25275	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
51.11424	0.8
53.00306	1.0
53.03928	0.9
55.01860	5.2
55.05317	0.9
55.05505	15.9
57.03429	9.8
60.14268	0.9
61.02910	4.6
62.11813	0.9
65.03883	0.9
67.05495	30.1
69.03419	1.9
69.07059	25.8
71.04974	3.6
73.02891	1.1
79.05475	31.9
81.03382	3.8
81.07040	90.8
83.04959	4.3
83.08600	12.9
85.02885	3.8
85.06529	1.6
91.05466	26.0
92.66361	1.2
93.07021	24.1
95.04939	10.7
95.08593	27.0
97.02863	2.0
97.06506	7.3
99.08060	1.6
105.06323	1.2
105.07005	26.1
107.04919	9.8
107.08577	20.4
109.06503	31.0
109.10155	12.0
111.08055	4.9
117.06995	9.2
119.08559	25.7
119.09389	1.4
121.06481	4.8
121.10115	14.9
123.08053	9.0
123.11676	8.5
125.09595	1.3
129.07011	2.4
131.08565	11.3
133.06487	1.0
133.10103	18.9
135.08044	3.9
135.11629	6.9
137.09627	4.1
139.11185	1.1
145.10126	11.1
147.08057	1.4
147.11664	18.4
149.08449	1.0
149.09595	6.8
149.13226	7.9
151.11195	2.1
155.08572	1.6
157.10121	4.7
159.11612	8.8
161.13165	1.5
163.11177	9.3
163.14850	1.5
165.12732	4.1
171.11670	1.5
173.09624	0.9
173.13266	3.4
175.11148	1.9
177.12709	3.9
191.14339	1.5
193.12265	1.8
212.25592	1.1
229.19576	1.2
247.20520	4.4
257.18915	3.8
275.20013	31.0
293.21045	4.8
349.23700	66.5
350.24146	1.8
367.24722	100.0
368.25192	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74817	2.9
53.03925	3.3
55.01867	3.6
55.05503	19.9
56.47461	2.5
57.03432	5.5
57.81654	2.6
61.02894	2.8
67.05492	30.7
69.07048	12.5
78.04362	2.7
79.05470	27.0
80.42409	3.2
81.03405	4.0
81.07035	30.4
83.04948	5.6
83.08601	17.2
85.02889	5.3
91.05462	27.8
92.08654	8.1
93.07041	25.9
95.04942	18.1
95.08579	21.7
97.02899	4.6
97.06519	12.0
97.80503	2.8
105.07005	30.2
107.04907	3.4
107.08601	21.6
109.06507	4.3
109.10145	17.4
116.90853	2.9
117.06953	5.3
119.08565	23.1
121.10090	13.4
123.08029	3.4
129.06969	3.8
131.08516	16.8
133.10056	24.8
135.07961	4.7
135.11639	3.6
139.58476	3.5
145.10089	20.2
147.11636	5.9
149.09622	15.0
159.11743	4.2
161.15533	3.1
163.11168	22.3
199.14934	3.6
213.14719	3.3
240.64359	3.3
275.19940	24.3
289.79459	3.7
349.23560	27.0
367.24762	100.0
530.15759	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	564.3374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.73510	1.1
54.39952	1.0
55.01855	3.4
55.05503	19.8
55.32559	1.1
55.77348	1.1
57.03423	6.9
59.17751	1.3
61.02906	3.0
67.05485	32.1
69.03407	2.8
69.07057	11.7
71.04981	1.7
75.76945	1.2
79.05465	22.6
80.63026	1.3
81.03395	5.8
81.07034	31.8
83.04959	5.5
83.08610	16.5
85.02876	5.6
91.05455	30.7
92.09328	3.9
93.07010	25.5
95.04947	16.5
95.08575	20.3
96.14861	1.3
97.02853	1.4
97.06491	6.9
97.10155	1.8
99.08084	1.6
105.07008	28.1
107.04952	9.6
107.08583	17.0
109.06496	5.8
109.10149	12.1
111.08099	2.8
117.06995	9.8
119.08555	22.0
121.06470	5.5
121.10117	12.8
123.08023	2.5
123.11665	3.3
124.48071	1.4
125.09595	2.3
129.07028	2.2
131.08530	12.3
133.06474	1.8
133.10098	22.4
135.08037	6.7
135.11636	6.9
137.09616	2.8
138.68448	1.3
143.08533	1.7
145.10066	20.0
147.11662	7.0
149.09579	16.9
151.11122	2.5
157.10106	2.6
159.11653	6.9
161.13297	2.1
163.11139	17.6
165.12753	1.9
169.10014	1.6
171.11633	2.8
173.09555	1.5
173.13219	3.4
183.11705	3.2
189.12636	1.7
197.13219	1.8
239.17824	3.3
247.20563	1.6
257.18884	6.4
275.20013	33.4
293.21112	3.3
349.23672	23.0
367.24707	100.0
382.73529	1.6
529.29492	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	564.3376
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44217	1.8
53.03937	2.7
55.01862	12.0
55.05501	36.0
56.50845	1.9
57.03421	33.3
57.98668	1.7
58.91637	1.9
61.02904	11.1
62.28280	1.9
62.33919	1.9
67.05489	82.1
67.46159	2.1
69.03423	9.1
69.07051	48.9
71.04996	4.2
72.84410	2.2
73.59129	1.9
79.05471	75.1
81.03391	18.5
81.07037	100.0
83.04962	17.1
83.08595	26.0
85.02880	14.9
85.06526	5.0
87.99205	2.1
91.03925	2.5
91.05455	51.4
92.08669	8.2
93.07022	84.0
95.04942	26.6
95.08575	40.0
97.02890	10.3
97.06531	18.2
97.10161	10.0
105.07001	54.8
107.04945	11.9
107.08560	43.6
109.06501	10.0
109.10112	18.2
111.08083	5.0
117.06995	24.8
119.08555	31.1
121.06491	2.8
121.10127	22.3
123.11669	5.1
125.09635	5.1
127.03896	3.9
129.05426	2.4
129.06972	4.9
131.08510	21.9
133.10077	33.1
135.08025	4.5
135.11656	32.4
137.09601	3.2
143.08522	2.6
145.04913	3.5
145.10081	25.0
147.11655	18.3
149.09599	19.7
149.13217	24.7
149.47707	2.9
153.01804	15.5
157.10078	2.7
159.11650	29.9
161.13257	9.4
163.11142	15.2
165.12654	2.4
169.10138	2.4
171.02863	2.9
173.13217	5.3
174.25374	2.3
174.53195	2.3
177.12744	17.2
179.14241	4.6
181.12195	3.0
195.13768	3.5
197.13168	2.6
223.13329	3.3
227.12738	3.3
239.17947	3.9
255.15826	38.8
257.18936	10.7
267.16110	2.7
269.17416	69.5
275.19949	28.9
293.20859	2.9
349.23691	60.1
367.24716	29.7
385.12708	9.7
511.28900	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	564.3375
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	3.5
55.01872	5.0
55.05512	30.6
57.03438	33.3
59.74782	2.5
61.02913	7.2
61.80542	2.2
64.45551	2.6
65.38895	2.5
67.05491	57.5
69.03424	12.0
69.07058	23.9
71.04969	4.7
79.05480	53.9
81.03416	4.8
81.07042	69.9
83.04984	14.7
83.08614	18.2
84.48634	3.1
85.02898	18.3
85.06599	3.8
91.05463	50.4
93.07028	70.4
95.04961	16.5
95.08588	41.0
97.06516	12.3
97.10136	11.4
99.08053	4.4
105.06337	4.9
105.07016	66.8
107.04955	7.0
107.08575	44.1
109.06537	6.9
109.10153	14.3
111.08044	3.6
117.07014	29.7
119.08567	58.3
121.06500	3.7
121.10148	19.1
123.11683	3.0
125.09659	7.2
129.06958	21.5
131.08556	43.6
133.10094	30.7
135.11691	18.3
142.07738	2.8
143.08540	17.3
145.10124	36.2
147.11673	28.9
149.09619	12.5
149.13293	3.1
157.10150	15.5
159.11656	41.7
161.13194	11.2
163.11157	6.5
169.10083	5.3
171.11667	5.2
173.13231	15.1
185.13223	25.7
187.11127	3.9
187.14803	3.9
197.13211	3.7
227.12856	3.5
239.17960	7.2
255.15891	13.9
257.18991	24.1
265.29565	3.4
269.17487	13.9
275.19980	34.7
349.23651	100.0
367.24741	13.5
458.40918	3.1
516.63721	3.4
557.45374	3.3
564.31952	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	563.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.2
55.01853	6.3
55.05505	58.5
57.03419	26.4
57.07068	3.2
63.32786	2.7
67.05139	4.6
67.05489	98.7
69.03410	5.1
69.07059	29.4
71.04968	12.8
75.87231	3.0
77.27930	3.4
79.05467	79.6
81.03393	60.9
81.07033	100.0
83.04943	18.6
83.08606	26.9
85.02882	23.9
85.06546	3.8
90.57281	2.9
91.05459	61.8
92.08640	9.1
93.07011	76.8
95.04951	33.9
95.08582	62.4
97.06506	11.5
97.10152	16.1
100.76263	2.8
105.07003	59.4
106.28136	3.8
107.04889	4.9
107.08566	49.1
109.06483	6.4
109.10138	26.1
111.08039	6.1
117.06981	14.1
119.08557	49.2
120.00829	3.2
121.06437	3.5
121.10108	32.9
123.08054	5.4
123.11663	6.6
125.09576	5.5
129.06973	16.7
130.30518	3.0
131.08551	34.6
133.10092	37.4
135.08060	3.9
135.11653	14.5
137.09561	3.4
141.06976	3.1
143.08559	7.3
145.10109	18.8
147.11653	24.1
149.09616	6.1
149.13194	3.9
153.12715	3.3
155.08482	4.9
157.10107	21.4
159.11649	19.7
161.13258	3.3
168.67534	3.0
171.11633	6.4
173.13300	7.1
175.11159	12.9
183.11641	4.6
193.12202	33.7
197.13304	3.5
198.08434	3.4
211.13202	26.8
216.13264	3.3
260.72870	3.1
261.21921	4.1
267.15900	6.4
285.16873	18.5
301.25259	3.3
318.39862	3.1
335.25732	30.3
471.34607	3.8
527.37091	25.8
545.38312	59.4
563.38300	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	564.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05261	2.1
55.05500	31.9
57.03421	3.2
57.07043	2.0
67.05503	12.6
69.03405	8.0
69.07050	26.0
71.04971	6.7
77.91238	1.1
79.05467	10.9
81.03402	1.6
81.07026	47.6
83.04948	12.3
83.08600	8.7
85.02895	12.2
85.06525	5.6
86.09673	1.3
88.55602	1.1
91.05464	10.7
93.07010	27.4
95.04926	1.8
95.08572	37.6
97.02872	2.4
97.06499	10.3
97.10143	69.8
99.04401	2.5
105.07003	39.9
105.07665	2.3
107.04939	2.4
107.08574	31.2
109.02878	1.4
109.06483	18.3
109.10139	18.8
111.08106	1.7
111.11718	2.0
117.07027	1.5
119.08553	32.8
121.06471	1.6
121.10110	29.3
123.08041	18.4
123.11666	22.6
125.05887	1.8
125.09592	13.7
127.07510	7.1
131.08543	8.3
131.16733	1.3
133.10088	17.1
135.08017	5.4
135.11655	12.8
137.05884	1.4
137.09564	9.8
139.11151	10.6
141.09108	2.2
143.08542	2.9
143.10664	13.6
145.05014	1.4
145.10091	19.9
147.11656	73.5
149.09610	21.7
149.13251	6.9
151.07501	1.9
151.11151	13.3
157.10124	5.9
157.12189	2.8
159.08031	1.4
159.11644	16.0
161.09601	1.8
161.13213	22.0
163.11159	6.9
163.14729	1.6
165.09052	2.8
165.12703	45.8
169.10045	1.9
171.11661	3.2
173.13211	5.1
175.11111	10.5
175.14717	1.5
177.12712	12.7
179.10574	1.9
179.14264	8.2
185.13174	5.0
187.11156	3.1
187.14806	2.2
189.11189	2.0
189.12700	5.2
189.16325	2.0
191.10623	1.5
193.12186	35.3
195.13799	2.1
197.13225	2.1
199.14786	2.0
203.14264	3.1
205.12196	7.1
207.13736	12.5
215.14235	3.2
223.16873	1.4
229.14314	16.1
233.15298	3.0
235.17006	1.4
237.14877	1.3
241.59245	1.4
243.15831	7.9
257.32990	1.5
267.21002	6.0
285.22095	7.7
295.20483	6.8
298.07788	1.5
303.23108	17.3
305.24780	2.6
313.21524	25.0
321.24149	10.6
331.18707	2.7
331.22586	65.7
349.23651	54.9
353.21155	1.4
367.24689	100.0
385.25867	5.8
564.32043	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	563.394
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.0
53.40310	1.3
54.81621	1.6
55.05505	18.9
57.03431	16.7
57.07061	1.6
67.05495	65.3
69.03445	1.4
69.07055	23.3
69.94399	1.3
71.04967	2.6
76.03841	1.3
79.05473	43.7
81.03414	1.4
81.07038	100.0
83.04948	8.2
83.08588	9.6
85.06491	2.4
86.11635	1.4
91.05454	36.6
92.09335	2.7
93.07020	47.5
95.04948	3.2
95.08002	2.5
95.08582	43.6
97.06496	3.3
105.07013	39.1
107.08586	27.4
109.06486	3.1
109.10142	17.1
111.07994	2.0
112.74883	1.4
117.06984	8.6
119.08566	28.4
120.13580	1.6
121.10115	30.4
123.08073	2.7
123.11684	18.3
129.06963	2.4
131.08537	8.2
133.10107	6.9
135.11650	12.1
145.10103	7.2
147.11665	43.4
149.13242	3.7
159.11655	3.1
161.13191	2.3
165.12697	10.5
171.78027	1.5
173.13335	2.4
187.14883	2.1
243.20938	1.7
261.22125	13.1
267.15866	25.2
285.16913	17.3
335.25711	47.5
527.36896	3.2
545.38318	27.7
563.40088	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	563.3933
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	5.1
55.01850	4.4
55.05498	43.1
57.03425	15.8
57.33704	3.6
57.49500	3.6
61.83313	3.8
67.05482	89.1
69.03413	3.9
69.07048	26.0
71.04963	6.6
75.18111	3.8
79.05471	64.2
81.03389	55.3
81.07032	100.0
83.04951	20.4
83.08597	31.8
85.02884	22.2
85.06547	5.4
90.89725	3.5
91.05449	68.9
91.25317	4.4
93.07018	68.6
95.04939	25.7
95.08565	51.3
97.06480	5.7
97.10157	6.5
100.77871	3.6
105.06998	59.1
107.04920	5.2
107.08568	42.3
109.06503	15.0
109.10126	33.7
117.06969	19.4
119.08554	45.7
121.06479	3.9
121.10091	28.2
122.92279	4.1
123.11646	3.9
125.09635	6.1
129.06953	6.9
131.08534	37.6
133.10106	28.3
135.11691	20.2
142.07686	4.2
143.08553	16.7
145.10120	20.6
147.11664	21.2
149.09605	15.0
149.13158	5.7
157.10106	21.1
159.11662	8.5
169.10005	6.1
171.11566	7.0
173.13225	6.8
175.11166	9.2
193.12181	29.1
211.13240	23.9
261.21698	3.4
280.61298	4.2
285.16821	8.2
301.25223	4.2
330.65942	4.3
335.25595	29.4
435.32721	5.6
453.33023	4.6
527.37079	22.3
545.38031	68.0
563.38434	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	563.3912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.64751	1.4
57.07068	1.9
65.91675	1.2
67.05500	1.9
69.07059	1.6
73.13247	1.3
73.86100	1.4
81.07040	7.4
95.04917	1.6
95.08575	2.7
105.06960	1.8
107.08605	3.0
109.10139	2.7
119.08559	2.1
121.10075	1.6
165.03690	1.5
251.12485	3.0
276.92966	1.5
291.83249	1.6
307.15112	6.2
526.42401	1.4
563.39038	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84224	0.5
53.03926	3.5
55.01860	4.8
55.05505	15.3
57.03173	1.0
57.03430	21.2
61.97176	0.6
66.86870	0.7
67.05492	23.2
69.03401	3.6
69.07059	6.0
71.04967	3.8
73.70380	0.7
79.04996	0.8
79.05469	24.1
81.03399	100.0
81.07038	23.8
81.07755	0.8
83.04970	16.3
83.08601	22.2
85.02891	16.5
85.06529	1.7
87.04462	0.6
91.05457	28.9
93.07024	17.6
95.04949	33.5
95.08582	11.4
97.02895	2.6
97.06481	3.3
97.10154	4.9
101.46648	0.6
105.04524	0.7
105.06361	1.1
105.07014	22.1
107.04936	12.3
107.08573	7.9
109.06486	5.3
109.10139	4.4
111.04414	1.6
111.08043	7.7
115.05420	1.0
117.06973	1.6
119.08554	18.1
121.06472	5.2
121.10134	9.9
123.08047	1.7
123.11700	0.9
125.05959	0.9
125.09581	3.7
127.57122	0.6
129.06975	15.1
131.08543	13.7
133.06436	3.3
133.10100	8.8
135.08003	0.7
137.06058	0.7
137.09599	1.6
140.84940	0.8
141.06927	0.7
142.07758	4.3
143.08481	1.1
145.06465	3.7
145.10121	3.1
147.08029	4.4
147.11655	13.0
149.09610	5.4
157.06441	0.9
157.10088	13.9
159.11639	0.7
163.11163	1.2
165.12657	2.9
169.10193	0.9
175.11128	11.3
193.12209	28.7
210.81790	0.8
211.13258	12.3
215.14165	0.8
249.14774	1.0
255.13773	1.4
267.15854	68.7
273.14807	2.9
285.16885	12.4
341.21060	1.0
349.21429	1.7
367.22330	5.4
385.23694	8.2
403.24414	0.8
405.23907	0.9
433.25888	9.9
441.26224	3.8
459.27328	45.2
477.28366	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50512	1.0
52.59602	1.1
52.94938	1.4
53.00290	1.3
53.03933	5.4
55.01622	1.6
55.01859	12.5
55.05500	37.5
57.03424	21.8
59.04971	1.2
61.02902	2.2
61.65969	1.2
67.05490	46.5
69.03420	12.7
69.07052	33.9
71.04977	5.4
76.76114	1.3
78.81974	1.3
79.05467	41.0
79.56602	1.3
81.03397	94.2
81.07036	47.7
81.07523	1.7
83.04967	16.6
83.08595	36.1
85.02884	18.0
85.06516	2.8
87.04387	1.3
91.05456	47.6
92.64371	1.7
93.07015	32.2
95.04945	35.6
95.08588	17.4
97.02876	15.1
97.06519	6.6
97.10142	24.1
97.56009	1.4
104.91454	1.3
105.06357	2.5
105.07008	38.1
105.07667	2.5
107.04272	2.4
107.04940	31.8
107.08568	18.5
109.06485	9.4
109.10120	15.1
111.04432	2.8
111.08054	12.9
113.06004	1.4
115.05428	2.4
117.06985	12.4
119.04877	2.6
119.08551	33.1
121.06494	6.3
121.10114	13.4
123.04382	1.7
123.08041	7.0
125.05955	1.9
125.09580	13.8
127.03892	1.6
129.06969	16.3
131.08537	20.1
133.06493	8.2
133.10109	17.3
135.08026	3.2
135.11646	2.2
137.05966	14.4
137.09583	3.4
142.07767	6.0
143.08534	3.2
145.06494	5.3
145.10126	12.3
147.07997	11.2
147.11656	16.7
149.09584	7.5
157.10095	15.9
158.84692	1.6
159.11681	3.1
163.11116	5.9
171.11508	1.9
173.09583	1.4
175.11086	9.6
186.70468	1.4
189.11118	2.1
193.12177	28.8
203.18155	1.9
205.12164	3.1
211.13245	14.0
216.92319	1.5
223.13243	23.2
223.55247	1.3
227.12770	2.1
239.69739	1.6
243.10199	1.4
249.14720	2.6
267.15857	58.9
273.15137	1.6
273.18503	8.4
285.16843	16.0
291.19461	86.8
365.23126	100.0
367.22427	5.3
385.23676	6.6
433.25568	5.3
459.27328	36.3
477.28494	28.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34884	2.4
55.05509	9.7
56.08722	2.1
57.03425	14.3
57.07075	2.9
64.69197	2.7
67.05493	27.2
67.35420	2.4
69.03415	3.0
69.06724	2.9
69.07053	23.4
71.04607	3.4
71.04981	77.3
73.81242	2.4
79.05481	38.6
81.07045	51.6
82.71518	2.5
83.04988	3.6
83.08611	5.4
85.02890	100.0
87.04433	2.8
87.82536	2.3
91.05464	39.7
93.07008	41.8
95.04936	3.8
95.08588	34.7
97.02850	3.7
97.06522	15.6
97.10163	2.7
101.51397	2.2
105.07013	79.7
107.08570	39.3
109.06480	4.6
109.10147	41.8
111.04424	4.9
111.08076	2.8
117.07014	20.5
119.08561	25.3
121.02749	2.7
121.06486	10.5
121.10133	30.0
123.04414	11.4
123.11701	14.2
125.05956	3.4
127.03918	3.4
127.19666	2.9
129.04643	2.5
129.05461	24.7
130.07739	3.0
131.08542	33.4
131.42371	3.1
133.10086	13.6
135.08044	17.2
135.11673	91.5
137.06010	3.3
137.09618	2.8
139.07568	3.0
143.08517	3.8
145.10120	57.3
147.06496	11.4
147.11699	6.0
149.09618	11.1
149.13223	5.4
153.01828	12.0
159.11681	23.9
163.11182	12.3
169.43127	2.3
173.13190	3.4
189.16376	5.2
191.17941	28.7
193.12161	3.0
201.16367	63.5
205.15826	3.5
219.17419	46.0
222.29628	2.7
255.06560	2.9
347.22324	3.8
416.10571	4.0
473.32559	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	562.3215
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86184	1.5
52.43127	1.3
53.03941	2.7
53.05212	1.3
53.06947	1.3
55.01865	19.6
55.05509	20.0
56.22662	1.3
57.03426	19.4
61.02903	6.6
63.26117	1.4
64.33186	1.5
67.05491	71.8
69.03407	8.1
69.07050	22.7
69.71053	1.4
71.04967	7.9
72.40939	1.6
79.05470	46.8
81.03412	12.1
81.07037	85.7
83.04967	13.2
83.08607	10.4
85.02893	6.9
85.06527	13.2
85.59580	1.5
91.03947	1.6
91.05459	75.1
93.07021	41.9
95.04953	16.0
95.08584	20.5
97.02895	3.6
97.06525	6.5
99.04428	2.3
105.07014	67.5
107.04937	16.8
107.08575	53.2
109.06494	11.3
109.10142	85.2
111.04420	2.1
114.69393	1.8
117.06976	9.4
119.08539	17.1
121.04209	1.8
121.06479	9.7
121.10127	8.4
123.08042	2.7
123.11665	12.1
127.07539	2.1
128.06189	2.0
129.07022	2.5
131.08540	18.7
133.06464	8.6
133.10101	89.2
135.08009	8.7
135.11676	7.0
137.09596	2.6
143.08524	3.7
145.10114	8.5
147.08015	2.1
147.11662	2.9
149.09604	10.4
151.11159	34.1
157.10132	2.8
159.11639	2.9
161.09624	9.0
163.11105	2.0
169.12215	4.0
171.11624	2.5
205.50459	1.7
215.12733	2.2
253.14281	94.8
255.17287	2.6
263.20044	2.2
269.13794	3.3
271.15274	16.6
273.18527	15.2
277.32605	1.8
285.17029	2.6
291.19525	14.9
347.22131	9.7
365.23145	100.0
383.24063	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	562.322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	32.8
55.05502	58.1
56.36336	4.5
57.03429	47.0
57.07059	6.0
64.44841	3.7
65.97667	3.5
67.05488	75.7
69.03413	10.3
69.07042	25.5
71.04972	29.1
73.02896	11.0
79.05483	48.0
81.03390	31.3
81.07051	65.5
82.04178	10.6
83.04967	34.2
83.08590	10.7
85.02890	19.4
91.05454	56.5
93.07023	42.6
95.04955	41.1
95.08572	22.0
97.06480	10.9
97.10151	24.6
98.07280	11.5
105.06998	31.2
107.04954	18.3
107.08611	35.7
107.09217	4.6
109.06483	7.4
109.10152	28.5
111.08067	5.7
116.04680	30.0
117.07007	5.7
119.08541	23.1
121.06447	5.8
121.10089	18.0
123.08015	7.4
125.09586	25.6
125.65398	4.9
129.05455	90.7
129.06970	8.6
131.08554	21.4
133.10107	33.0
135.08012	7.0
135.11644	10.6
137.06013	5.9
137.24590	4.4
142.97943	5.3
143.06999	11.2
145.10124	8.7
149.09596	7.4
151.11107	4.7
153.12759	4.7
157.08578	40.5
157.09824	4.9
158.57291	5.3
161.09583	4.7
163.11139	8.0
171.10167	8.7
175.11081	5.1
176.01538	5.6
180.14397	5.3
189.11197	8.3
199.13322	5.3
211.87483	4.8
227.12804	20.2
253.14255	9.0
283.15485	8.2
301.16415	100.0
333.46097	4.6
347.25385	8.4
359.35681	5.3
365.22992	16.9
421.29611	7.2
493.28012	6.5
527.28461	41.9
563.20276	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	562.3219
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	3.5
57.03428	6.7
62.00786	2.0
67.05502	4.1
69.03423	2.7
69.07069	3.5
69.91155	1.6
70.06581	2.1
71.04971	41.5
73.02908	3.0
75.04462	1.7
79.05479	2.7
81.07043	28.9
83.04967	3.0
85.02887	45.7
85.03368	2.9
89.06023	2.6
91.05463	10.8
93.07018	12.3
95.08593	7.3
97.02848	1.7
97.06500	3.2
105.07005	100.0
107.04922	1.9
107.08573	11.0
109.06514	2.7
109.10153	4.0
110.88161	2.2
111.04471	2.4
113.72603	1.9
117.07009	3.4
119.08571	29.4
120.40414	1.6
121.02856	2.7
121.10126	2.3
122.93803	1.7
123.04407	1.7
127.03938	2.2
129.05475	9.8
131.08545	4.3
133.10080	19.5
143.08531	2.3
145.10114	22.6
147.04420	2.3
147.06549	2.9
148.91649	1.8
149.05933	1.7
153.01779	2.9
157.10091	2.5
158.05992	1.9
159.11650	11.0
161.13229	90.9
173.13130	2.4
201.16344	29.3
217.04924	2.4
309.11874	2.3
369.63864	1.7
372.07831	7.3
416.10394	9.6
478.89679	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.4665
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	21.6
67.05486	39.8
69.07048	28.1
71.04970	5.4
73.90208	4.0
75.49194	3.6
79.05469	33.3
81.07040	100.0
83.08562	5.2
91.05470	38.3
93.07024	83.5
95.04928	4.9
95.08582	94.6
97.10117	4.3
105.07010	72.3
107.08589	66.1
109.06504	9.6
109.10138	40.7
117.06989	5.6
119.08560	59.4
121.10110	43.8
123.11665	20.3
131.08575	29.3
133.10091	37.6
135.11647	23.5
137.75027	4.3
143.08514	8.8
145.10066	36.2
147.11621	26.9
149.13251	21.7
157.10129	16.5
159.11671	35.1
161.13202	25.1
163.14755	6.8
169.10045	5.0
171.11655	9.6
173.13225	19.3
175.14751	10.3
177.12584	4.7
185.13214	9.7
187.14777	8.0
199.14774	8.2
201.16341	7.3
213.16304	5.4
215.17902	6.3
229.19580	4.6
378.09195	4.2
471.85718	4.8
543.45404	8.9
557.29285	4.5
561.49414	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	561.5027
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	34.2
57.07045	8.7
67.05496	41.4
69.07051	47.1
79.05460	13.6
81.07048	100.0
83.08592	10.9
91.05454	9.9
92.08717	18.3
93.07014	54.7
95.08583	94.6
97.10162	10.4
105.07010	38.9
107.08591	67.7
109.10162	48.9
119.08557	42.2
121.10110	48.2
121.66599	7.3
123.11668	29.2
131.08591	9.2
133.10088	42.4
135.11708	25.7
145.10077	6.9
147.11642	26.8
149.13202	29.0
159.11700	14.4
161.13176	11.4
163.14703	11.2
173.13196	8.6
202.00731	6.1
257.22379	7.0
561.50043	68.2
577.09540	6.8
578.28223	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	561.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.5
54.81556	2.1
55.05493	16.3
57.07072	3.6
65.40515	2.0
66.25397	1.9
67.05476	24.2
68.67081	2.1
69.07061	27.0
72.52147	2.0
79.05464	25.7
81.06596	4.4
81.07033	68.4
83.04937	2.4
83.08600	9.5
91.05455	11.3
93.07024	30.2
95.04913	3.1
95.07713	2.5
95.08575	50.8
97.10131	3.0
105.07022	20.2
107.04935	71.3
107.08559	29.6
109.10142	31.3
119.08584	22.7
119.29559	2.3
121.10128	21.2
123.11681	10.0
131.08536	3.5
133.10098	13.2
135.11655	11.8
145.10081	13.4
147.11670	5.7
149.13264	18.4
157.10152	3.3
159.11673	4.8
161.13231	13.4
161.41393	2.3
163.14836	4.7
173.13243	5.0
175.07516	5.4
187.14821	5.1
191.07001	26.0
203.07042	5.7
227.10562	5.3
255.10080	3.8
269.11533	2.6
279.09952	3.1
297.11179	100.0
543.38574	2.5
561.40051	4.1
561.49994	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89574	2.1
52.61731	2.0
53.03936	2.9
55.01870	15.6
55.05261	3.4
55.05503	58.5
57.03411	13.0
57.07050	2.6
59.04948	3.2
67.05150	3.4
67.05495	93.2
69.03431	2.6
69.07056	23.8
71.04958	3.9
74.61068	1.9
79.05055	3.1
79.05476	58.2
81.03411	17.1
81.06599	4.0
81.07039	83.9
82.29185	2.2
83.04977	18.0
83.05384	2.0
83.08609	30.3
85.06509	3.2
89.37332	2.1
91.05460	53.3
93.07027	70.2
95.01564	3.1
95.04948	22.1
95.08579	48.9
97.02879	2.1
97.06503	3.7
97.10141	29.4
105.07018	50.9
107.04945	5.4
107.08579	53.0
109.06505	3.3
109.10145	26.5
111.04408	10.6
111.08049	4.0
117.06982	23.4
119.08561	45.3
121.06493	5.0
121.10138	24.1
123.08051	3.2
123.11715	4.0
125.09613	25.2
129.07016	17.0
131.08566	38.3
133.10103	30.5
135.08052	4.9
135.11670	16.5
141.07037	2.8
142.07713	2.6
143.08562	15.3
145.10101	31.0
147.08003	3.7
147.11664	17.2
149.09587	2.5
149.13266	8.8
153.12732	5.1
155.08548	8.5
157.10088	16.7
159.11658	17.3
161.13246	4.0
163.11166	18.0
163.14766	3.1
169.10133	9.6
171.11624	12.4
173.13254	12.4
175.14809	3.9
181.12207	3.3
183.11630	4.9
185.13249	10.4
189.11182	9.1
195.11659	3.5
197.13257	8.1
201.16373	3.2
211.14807	2.3
213.16393	3.4
227.12704	23.1
231.70015	2.3
243.20969	2.3
257.18820	2.1
261.22073	7.8
283.15353	15.9
299.23627	13.4
317.24811	2.9
335.25662	11.0
372.15225	2.3
433.30807	4.7
451.32001	9.2
469.32977	9.7
487.34070	4.8
515.37518	2.5
525.35950	22.4
543.36694	100.0
561.37830	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	561.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	11.5
55.05502	65.2
57.03443	5.2
59.04995	6.2
65.03931	4.6
67.05490	78.5
69.07058	35.1
69.07367	4.3
70.32014	4.3
71.04983	4.6
74.16452	6.1
79.05471	64.7
81.03394	10.9
81.07030	100.0
83.04956	22.1
83.08584	21.0
90.32685	5.5
90.65264	4.8
91.05460	66.3
93.07020	70.3
95.04941	19.4
95.08579	59.3
96.35056	4.4
97.06516	8.7
97.10136	19.3
105.07014	70.6
107.08573	58.4
109.06511	11.3
109.10140	36.9
111.08070	8.8
117.07030	27.4
119.08566	52.3
119.94411	4.8
121.10108	29.5
123.08076	6.7
125.09612	22.5
129.06996	21.3
131.08554	41.4
133.10095	31.5
135.07970	9.2
135.11717	23.5
137.09697	7.0
143.08517	25.5
145.10104	36.9
147.11659	20.1
149.13182	17.2
155.08554	10.0
157.10133	21.3
159.11629	35.4
161.13213	8.7
163.11255	5.9
169.10071	8.8
171.11629	7.6
173.13237	11.6
183.11635	5.2
185.13237	6.2
187.14819	7.1
189.11171	5.9
189.12755	5.6
197.13074	6.7
209.13304	6.8
227.12596	8.4
258.58994	5.0
280.75082	5.3
283.15341	10.5
299.23615	8.7
335.25568	9.7
363.22549	7.2
368.12088	5.7
389.74084	5.2
411.16153	5.1
451.31647	6.9
525.35712	20.5
543.36511	87.5
561.38055	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	561.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	18.4
55.05508	64.6
57.03424	16.2
57.07060	4.1
59.05001	2.7
65.03909	2.4
67.05493	84.5
69.03424	3.2
69.07056	23.0
71.04960	3.7
71.11003	2.3
73.06508	2.3
74.56535	2.3
75.55542	2.0
79.05479	76.5
81.03400	10.6
81.07038	80.5
83.04966	22.5
83.08607	30.9
85.06475	2.7
89.15170	2.1
91.05461	50.3
92.09320	7.3
93.07030	66.7
94.24718	2.4
95.04948	19.1
95.08584	50.3
97.06503	2.2
97.10142	30.9
105.07016	49.5
107.04939	10.7
107.08572	47.3
109.06491	9.9
109.10137	25.7
111.04427	10.5
111.08054	10.3
114.36630	2.2
115.05434	3.8
117.06979	24.8
119.08569	33.0
121.06455	5.7
121.10094	16.9
123.08045	5.0
123.11677	5.9
125.09595	21.4
129.06989	17.6
130.07811	2.6
131.08540	38.8
133.10110	24.2
135.08044	11.5
135.11673	23.6
137.09549	3.7
138.32762	2.2
143.08522	20.0
145.10123	34.8
147.08049	3.5
147.11662	17.9
149.09596	3.5
149.13229	5.7
151.11180	2.5
153.12711	4.6
155.08563	5.8
157.10121	13.4
159.11731	19.6
161.09497	3.7
161.13190	9.1
163.11154	12.8
167.08601	2.8
169.10110	11.7
171.11626	8.9
173.09538	4.2
173.13219	11.8
175.14792	4.2
181.10042	3.8
183.11630	4.0
185.13242	9.3
187.14729	2.7
189.11163	4.4
191.10608	3.6
193.12234	4.4
195.11661	4.2
197.13260	2.8
197.70645	2.8
199.14825	4.9
224.91217	2.3
227.12773	26.5
261.22028	5.5
283.15277	18.0
299.23672	12.9
317.24661	4.0
335.25656	9.6
350.53131	2.5
433.31012	3.7
451.31973	12.3
469.33069	5.3
515.37042	3.6
525.35553	18.0
543.36761	100.0
550.60431	2.6
551.13171	2.5
561.37878	36.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.3064
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00300	0.9
53.03934	1.1
55.01866	1.3
55.05505	7.2
57.03431	15.0
66.42513	0.9
67.05473	4.1
69.03436	0.9
69.07044	2.5
71.04977	86.6
73.02899	2.0
75.04459	3.9
79.05467	2.4
81.03365	1.2
81.07038	10.4
83.04969	17.0
85.02888	100.0
85.06505	0.9
87.04435	1.1
91.05447	5.6
93.07032	7.1
95.04932	6.0
95.08569	5.1
97.02852	2.0
99.04391	2.0
105.07003	32.7
107.04922	8.1
107.08578	6.4
109.06499	1.9
109.10132	5.2
111.04413	4.7
117.07030	1.3
117.36180	1.0
119.08551	14.4
121.10138	1.9
123.08044	1.1
127.03870	2.0
129.05449	25.8
129.06927	1.8
131.08549	2.4
133.10106	9.2
135.08104	1.2
137.05927	1.5
137.09554	1.1
143.08563	1.8
145.10059	1.7
147.06532	9.9
147.11679	7.9
161.05898	0.9
161.09572	1.4
161.13155	1.4
161.22379	1.0
173.99142	1.0
175.16618	0.9
186.25009	1.1
189.16365	24.3
199.14723	1.3
217.15837	24.7
235.16870	11.6
273.09793	1.4
337.69440	1.0
363.21622	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	561.1602
Annotation	3'-Deoxymaysin
Peak:m/z	Relative Intensity
53.24026	0.9
55.01862	1.2
55.03723	0.9
55.05491	1.9
57.03432	9.7
61.02909	1.2
67.05502	1.6
68.99778	11.8
69.03411	2.8
69.07052	1.5
70.86666	1.1
71.04977	50.7
73.02884	1.2
79.05456	3.8
81.07023	5.8
83.04955	5.1
85.02889	47.8
87.04478	1.3
91.05460	5.2
93.07034	2.6
95.08591	2.9
97.02861	1.4
97.06544	1.4
105.07015	4.5
107.08564	2.4
108.42874	1.3
109.06477	1.7
109.10188	1.8
111.00765	2.6
111.04459	1.6
119.08539	1.4
121.06504	1.7
121.10098	2.5
123.04410	6.2
127.03875	1.5
129.05487	4.2
131.08517	1.3
137.02274	1.5
137.06001	2.1
139.03784	1.7
145.10149	1.3
149.05965	2.4
151.07588	1.3
153.01805	87.6
161.05905	1.5
163.03885	4.5
165.01811	2.8
171.08066	2.0
173.05939	2.5
175.03836	1.5
175.07529	2.6
177.05453	4.6
178.06177	1.8
179.03336	11.1
187.07555	1.7
189.05507	5.4
199.07501	1.2
199.54427	1.2
201.05453	1.2
203.03374	1.5
205.05046	1.4
207.02866	15.2
212.72221	1.3
215.07002	2.2
217.04892	13.4
217.08571	1.7
227.06851	3.9
229.01358	1.3
231.06480	1.7
243.06451	9.1
245.04326	2.5
245.08049	1.7
255.06422	5.0
257.08044	1.8
259.05936	2.4
271.06006	1.7
273.07446	9.3
279.06439	1.8
281.04575	1.3
282.05133	1.7
283.05899	1.6
287.05353	1.9
297.03885	7.5
297.07465	4.5
313.03311	1.9
313.07013	1.7
323.09100	1.5
325.06879	9.1
327.05038	2.3
327.08698	1.6
329.06543	1.8
335.09064	1.8
339.84656	1.2
351.08682	4.8
353.06381	1.5
355.08026	2.1
371.07535	51.0
381.09671	5.3
397.09091	31.0
399.10870	9.4
415.10129	100.0
416.09949	1.7
559.52234	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	561.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02363	0.3
52.17584	0.2
53.03946	0.2
55.01858	0.3
55.05500	0.3
59.01041	0.2
64.99632	0.2
65.03929	0.2
67.05487	1.2
68.99784	1.2
69.03439	0.2
69.07047	0.9
70.15596	0.2
70.70836	0.2
71.04971	0.4
77.03912	0.2
79.05470	1.2
81.07050	1.9
83.04955	1.1
84.42966	0.2
85.02895	0.3
87.04462	1.1
91.05448	0.8
93.07023	1.8
95.04951	1.9
95.08582	0.9
97.02888	0.4
97.06504	1.0
99.04442	0.4
105.03352	0.9
105.07021	1.1
107.04929	0.4
107.08569	1.2
109.06491	1.0
109.10117	0.7
110.04709	0.2
111.00788	1.5
111.04409	2.3
111.08131	0.2
117.06973	0.3
119.04916	0.4
119.08530	0.4
121.06479	1.3
121.10101	0.2
123.04407	100.0
123.11636	0.2
125.06022	0.3
125.33839	0.2
127.03934	0.3
129.06970	0.2
131.08571	0.3
133.10088	0.4
135.04384	2.2
135.08003	0.4
135.11639	0.2
137.05984	0.3
139.03883	56.0
143.04956	0.3
145.06441	0.2
145.10109	0.4
147.04384	6.7
147.11621	1.7
149.05930	0.2
151.03883	3.9
153.01752	0.2
153.05461	0.2
153.06961	0.3
157.06566	0.2
157.10081	0.7
161.05966	0.8
163.03876	1.6
163.07417	1.5
165.05426	0.5
165.12621	0.3
175.11156	1.2
181.04845	0.2
189.05426	1.2
189.12685	0.3
193.12152	0.3
199.07539	0.2
199.11143	0.4
203.07137	0.2
207.13707	0.2
211.13371	0.2
217.12161	1.8
227.07063	0.6
235.13290	2.7
235.23619	0.2
237.05533	0.2
245.04330	0.4
253.14323	2.0
255.06380	1.0
271.15363	0.4
273.07516	21.6
291.08487	0.9
368.27017	0.2
401.32120	0.2
415.10001	0.8
452.58990	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4867
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60968	2.0
55.01867	2.3
55.05501	26.4
57.07061	4.7
60.11935	2.2
62.49826	2.0
64.70083	2.3
66.35455	2.5
67.05486	38.1
69.07047	33.3
72.90350	2.2
75.38123	2.2
79.05478	25.9
81.07034	100.0
83.08604	10.1
91.05464	20.9
93.07021	66.2
95.08585	86.6
97.10152	4.3
105.07004	61.6
107.08569	64.1
109.10126	52.8
109.63387	2.4
116.39131	2.2
117.06996	5.7
119.08561	56.2
121.10113	52.9
123.11661	16.8
129.07004	2.9
131.08517	14.9
133.10089	28.5
135.11639	27.9
137.13210	3.7
143.08557	5.8
145.10120	28.5
147.11681	28.4
149.13237	20.0
155.08537	2.5
156.09265	2.9
157.10057	18.5
159.11646	29.7
161.13268	15.6
163.14783	10.4
169.10144	4.5
171.11647	9.4
173.13255	15.3
175.14781	11.0
177.16373	3.3
183.11603	2.5
185.13203	12.3
187.14781	13.9
189.16429	11.1
191.17868	3.2
199.14816	12.0
201.16379	11.6
203.17796	3.8
213.16319	3.0
215.17885	4.4
217.19464	4.7
226.17137	2.5
227.17830	3.9
229.19475	3.4
269.22525	4.2
323.55685	2.5
365.97470	2.7
403.87775	2.9
471.59488	2.4
541.47559	9.6
559.48535	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	559.4873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	1.0
53.03933	2.6
54.81421	0.9
55.05501	18.6
57.07054	5.1
67.05142	1.4
67.05495	41.0
67.19168	1.0
69.07054	31.7
70.80117	1.1
79.05043	1.9
79.05475	28.9
79.06378	1.0
81.07039	100.0
83.04959	6.3
83.08604	11.6
85.06547	1.4
91.05460	22.8
93.07021	70.1
95.04926	4.3
95.08585	82.5
97.06465	2.1
97.10130	5.7
105.07012	47.0
107.07856	2.5
107.08581	64.3
109.10143	48.3
111.08065	1.5
111.11700	5.2
114.36976	1.3
117.07001	6.1
119.08559	57.1
121.10118	48.0
121.62590	1.1
123.08057	1.3
123.11675	18.5
125.09597	1.2
129.07004	2.4
131.08527	17.1
133.10114	26.0
135.07928	1.5
135.11665	23.7
137.13213	5.3
142.07730	1.3
143.08572	8.1
145.10097	27.5
147.11668	24.8
149.13243	21.5
151.11168	1.4
156.09352	1.2
157.10120	8.1
158.10925	1.6
159.11652	26.6
161.13208	18.3
163.14807	11.1
169.10092	2.2
171.11676	10.0
173.13182	15.5
175.14821	9.6
177.16347	6.4
183.11647	4.9
185.13202	7.6
187.14748	11.0
189.16331	7.0
191.17886	1.9
197.13213	1.8
199.14764	6.6
201.16388	9.4
203.17883	5.2
205.19514	1.3
211.14735	1.7
213.16347	6.1
215.17970	6.1
217.19460	2.8
223.14989	1.5
227.17891	4.8
229.19507	4.7
239.17775	1.9
241.19402	1.9
243.21011	2.2
255.20979	1.7
269.22568	2.7
337.28607	1.5
541.47675	12.9
559.48657	45.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	560.2335
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80662	0.1
57.03416	0.2
61.02909	0.2
61.29530	0.1
67.20417	0.1
69.03403	0.3
69.57012	0.1
70.06575	0.2
78.04675	1.0
79.05449	0.7
81.03382	0.2
85.02890	1.9
86.09686	0.2
91.05456	0.6
92.08672	0.2
95.04930	0.7
95.08525	0.1
97.02849	0.8
99.04380	0.2
103.05430	0.3
105.06989	0.6
106.04154	0.8
107.04901	0.6
109.02882	0.2
119.04900	0.2
121.06474	1.2
123.04396	4.7
124.05213	2.0
127.03889	0.3
131.04892	1.4
133.02832	0.2
133.06494	0.3
134.03540	0.2
135.04411	0.3
137.05984	1.2
145.04887	0.2
147.04431	0.2
149.05919	0.2
151.03870	1.2
152.04623	1.7
153.05417	0.2
153.06834	0.2
161.06009	0.2
162.07631	0.2
165.05415	0.2
165.06847	0.2
167.06995	100.0
168.07335	0.7
177.05511	0.3
180.08705	0.2
181.06427	0.4
181.08508	0.7
191.06979	2.3
193.08568	0.3
195.08034	0.2
198.06755	0.3
199.07491	0.2
209.06001	0.2
209.08020	0.2
213.09079	0.7
225.09045	0.2
226.06195	0.3
227.06911	0.3
241.08600	0.3
253.08505	0.6
267.10101	0.2
269.08066	0.3
270.08813	0.2
271.05832	0.3
273.11090	0.7
275.09082	0.2
284.10361	0.2
285.11209	0.3
295.09607	0.3
301.10794	1.1
313.10568	2.4
314.11389	0.7
333.13165	1.7
342.45911	0.2
345.13254	9.9
363.14191	2.1
366.74503	0.2
585.21088	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4868
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	2.3
55.05507	21.1
57.07063	6.5
59.56685	0.9
63.02238	1.1
66.04225	1.2
67.05489	35.1
69.03439	1.5
69.07053	32.0
70.06593	1.1
75.29852	1.1
79.05475	25.6
81.07038	100.0
83.04967	4.8
83.08603	12.4
88.42665	1.0
90.35549	1.0
91.05465	22.2
93.07021	58.8
95.04958	4.8
95.08585	83.2
97.06503	6.6
97.10132	5.2
100.42308	1.1
105.04545	1.1
105.07011	51.6
107.08577	65.9
109.06498	4.8
109.09395	2.3
109.10141	54.6
111.08154	1.2
111.11723	1.3
117.06995	8.0
119.08559	57.0
120.08847	1.1
121.10120	39.9
123.08025	1.7
123.11669	23.1
125.09613	1.9
128.06163	1.6
129.06975	1.9
129.25356	1.2
131.08566	15.8
133.10104	31.5
135.08061	1.9
135.11681	24.2
137.09590	1.5
137.13242	6.4
142.07668	1.4
143.08533	6.0
144.09326	1.6
145.10109	28.1
147.11668	26.2
149.13260	24.9
151.11169	2.2
156.09346	1.7
157.10141	11.1
159.11671	28.6
161.13191	19.6
163.14815	12.1
169.10117	5.7
171.11665	8.7
173.13234	17.0
175.14751	13.4
177.16374	2.6
183.11694	2.8
185.13234	7.6
187.14771	11.7
189.16391	11.0
191.17874	2.1
197.13240	4.5
199.14809	4.9
201.16341	10.4
203.17929	8.3
213.16383	4.7
215.17934	6.3
217.19479	4.3
225.16446	1.9
227.17892	2.7
229.19518	2.3
231.21008	1.7
239.18001	1.7
243.20984	2.1
245.22609	1.2
255.21002	2.3
257.22684	2.0
258.25500	1.2
269.22437	4.5
271.24112	1.4
297.25870	1.9
317.38889	1.2
410.93231	1.3
446.70279	1.2
541.47516	8.3
559.48792	38.0
576.79163	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.399
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63923	2.2
53.00297	3.6
53.03930	5.1
55.01856	5.5
55.05505	30.9
57.03423	14.4
57.07062	2.7
65.03920	2.8
67.05492	86.1
69.07057	22.4
79.05473	100.0
81.03397	9.8
81.07040	80.2
83.04958	12.4
83.08624	5.5
91.05454	58.6
93.07021	78.4
95.04950	18.8
95.08588	53.8
97.06474	3.6
105.04528	3.4
105.07019	48.2
107.04937	3.6
107.08577	36.6
109.06505	3.3
109.10143	13.0
117.07002	6.6
119.08556	40.5
121.10136	20.2
123.08043	2.9
129.06972	13.9
131.08551	13.5
133.10092	17.4
135.11699	5.7
143.08546	5.3
145.10109	10.7
147.10654	3.3
147.11639	30.8
156.09161	2.6
159.11707	5.9
161.09610	3.4
161.13239	6.3
171.11674	14.1
207.13770	6.5
281.17413	22.1
310.81738	2.8
335.25635	40.0
541.38647	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.4871
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94283	1.2
53.03935	2.4
54.36113	1.4
55.05508	19.3
57.07060	5.4
61.38907	1.2
65.03906	1.8
67.05142	1.4
67.05496	35.1
69.03375	1.7
69.07053	31.3
70.62891	1.3
73.25727	1.2
79.05471	30.0
81.07035	100.0
83.08596	9.8
85.06516	1.5
91.05461	20.8
92.40244	1.5
93.07023	61.6
95.04925	5.6
95.08586	82.1
97.06511	2.2
97.10118	2.7
105.07013	58.0
107.08571	64.6
109.06456	1.6
109.10137	53.6
111.08052	1.7
111.11704	1.9
115.59250	1.4
117.06995	2.9
119.08562	54.1
121.09254	1.6
121.10123	47.3
123.11670	16.9
125.09570	2.8
127.05350	1.4
129.06966	1.9
131.08531	15.6
133.10095	35.5
135.11656	30.6
137.13214	5.9
143.08539	7.8
144.09367	1.7
145.10097	25.9
147.11670	28.6
149.13235	24.5
157.10120	9.8
159.11665	28.4
161.13239	20.8
163.14822	10.1
169.10141	2.5
170.10889	1.7
171.11662	11.1
173.13184	15.9
175.14828	12.8
177.16341	3.3
183.11607	5.4
185.13243	7.8
187.14740	14.6
189.16327	9.0
191.17824	1.7
197.13300	1.6
199.14777	9.2
201.16307	7.3
203.17941	6.3
211.14749	2.0
213.16255	7.2
215.18002	2.8
217.19495	6.0
227.17879	6.3
229.19398	2.8
239.17841	1.8
241.19431	1.5
243.21091	2.0
255.21107	1.6
257.22598	1.6
267.21048	1.8
269.22537	3.0
351.30429	1.4
439.23883	1.4
541.47632	14.2
559.48608	45.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	559.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.5
55.01859	11.5
55.05505	61.4
57.03417	19.4
64.28375	2.8
67.05481	42.4
68.73988	2.4
69.03397	4.4
69.07054	26.5
71.04981	10.8
79.05467	59.0
81.03400	100.0
81.07039	53.1
83.04958	13.6
83.08604	33.1
83.62602	2.6
85.02885	4.6
91.05451	51.5
93.07029	39.1
95.04948	74.3
95.08572	22.5
97.06504	5.5
97.10146	14.5
104.74752	2.6
105.07010	42.4
107.04948	30.8
107.08577	21.7
109.06473	5.7
109.10152	12.2
111.04380	3.3
111.08037	6.3
116.23411	2.6
116.97682	2.6
117.06986	16.0
119.08558	31.1
121.06469	18.1
121.10146	22.8
125.09641	12.1
129.06981	17.5
131.08514	26.8
133.06526	6.0
133.10104	15.8
135.11691	4.8
137.05942	5.6
143.08534	6.8
145.10066	21.7
147.08047	5.1
147.11678	11.4
149.09599	14.2
151.07492	6.3
157.10080	15.3
159.11699	4.5
163.11162	16.6
169.10118	3.2
171.11681	6.2
172.66061	2.7
175.11171	4.6
187.11119	3.9
189.11076	3.9
193.12230	13.5
223.13219	4.2
257.04330	3.6
257.18982	4.0
265.22113	3.0
267.15787	31.9
275.20084	31.5
323.87766	3.1
349.23663	19.2
433.25848	13.7
522.17841	3.4
541.34973	21.4
559.36084	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	558.4358
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00284	2.3
53.03925	3.6
53.24685	1.2
55.01870	3.2
55.05502	38.4
57.03427	47.4
57.07066	85.3
63.49210	1.2
67.05491	58.8
69.03419	6.7
69.07050	22.7
71.04961	8.2
71.08611	50.3
77.25957	1.4
79.05470	46.2
79.05901	2.8
81.03396	91.9
81.07033	68.6
83.04963	25.6
83.08601	40.0
83.98068	1.5
85.02885	45.5
85.06539	2.8
85.10169	22.2
89.06002	2.3
91.05463	51.2
93.07020	29.7
95.04939	36.0
95.08583	54.1
97.02878	3.3
97.06521	9.2
97.10125	12.5
105.07011	43.2
107.04927	11.3
107.08562	15.4
109.06507	8.5
109.10139	20.9
111.04369	2.7
111.08060	14.0
113.05991	1.8
115.05443	2.1
117.06948	1.6
119.08552	33.6
120.41289	1.4
121.06519	2.3
121.10121	14.7
123.08049	2.8
123.11692	7.8
129.06975	20.3
131.08563	17.6
133.06416	1.5
133.10110	19.4
137.13289	1.9
142.07799	2.9
145.10095	2.3
147.07991	1.9
147.11665	18.4
149.09630	7.8
157.10081	25.7
165.12668	2.8
166.96936	1.5
175.11145	18.6
185.13254	1.5
193.12218	52.5
211.13252	56.0
239.23689	2.1
257.24692	3.1
267.15756	16.2
285.16910	68.7
313.27301	100.0
505.38757	14.7
523.39832	86.1
523.47662	3.2
557.52765	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	559.3622
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	5.5
55.01859	11.5
55.05505	61.4
57.03417	19.4
64.28375	2.8
67.05481	42.4
68.73988	2.4
69.03397	4.4
69.07054	26.5
71.04981	10.8
79.05467	59.0
81.03400	100.0
81.07039	53.1
83.04958	13.6
83.08604	33.1
83.62602	2.6
85.02885	4.6
91.05451	51.5
93.07029	39.1
95.04948	74.3
95.08572	22.5
97.06504	5.5
97.10146	14.5
104.74752	2.6
105.07010	42.4
107.04948	30.8
107.08577	21.7
109.06473	5.7
109.10152	12.2
111.04380	3.3
111.08037	6.3
116.23411	2.6
116.97682	2.6
117.06986	16.0
119.08558	31.1
121.06469	18.1
121.10146	22.8
125.09641	12.1
129.06981	17.5
131.08514	26.8
133.06526	6.0
133.10104	15.8
135.11691	4.8
137.05942	5.6
143.08534	6.8
145.10066	21.7
147.08047	5.1
147.11678	11.4
149.09599	14.2
151.07492	6.3
157.10080	15.3
159.11699	4.5
163.11162	16.6
169.10118	3.2
171.11681	6.2
172.66061	2.7
175.11171	4.6
187.11119	3.9
189.11076	3.9
193.12230	13.5
223.13219	4.2
257.04330	3.6
257.18982	4.0
265.22113	3.0
267.15787	31.9
275.20084	31.5
323.87766	3.1
349.23663	19.2
433.25848	13.7
522.17841	3.4
541.34973	21.4
559.36084	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	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01862	3.0
55.05493	0.8
55.69358	0.7
57.03419	4.0
61.02914	1.5
64.18681	0.7
64.33312	0.9
69.03410	9.3
71.04982	0.7
73.02883	1.2
76.56329	0.8
79.05494	5.7
81.03387	6.7
85.02881	20.3
87.04456	0.8
91.05450	16.3
93.07011	1.5
94.04153	1.3
95.04942	1.7
97.02863	10.0
98.24196	0.8
99.04455	1.4
103.03918	0.9
103.05433	17.4
105.06361	1.1
105.07006	17.4
107.04932	34.6
109.02839	3.1
109.06498	1.8
110.23515	0.7
111.04372	0.8
115.03883	1.2
115.05436	4.9
117.06992	1.8
119.04912	16.8
121.05682	1.0
121.06483	10.4
122.03611	3.7
123.04390	3.5
127.03915	5.4
128.06216	0.9
129.06970	4.5
130.04134	1.1
131.04893	16.7
131.08495	3.3
133.02824	16.6
133.06461	19.7
135.04399	3.7
135.08002	10.5
137.05946	100.0
139.61467	0.8
143.04889	0.8
145.04890	1.6
145.06453	1.7
145.07529	1.7
146.07213	1.7
147.04388	17.6
147.08057	1.5
148.05159	1.9
149.05943	22.3
150.06734	4.5
151.03867	0.9
151.07510	31.4
157.06454	4.9
159.04294	1.0
159.07999	0.8
161.05937	82.5
161.09573	22.5
162.06741	7.8
163.03828	1.7
163.07498	58.6
165.05449	4.7
165.06831	0.8
165.09065	5.6
167.06989	12.4
167.08516	3.4
169.06377	1.1
173.05876	1.1
174.06708	3.2
175.07480	11.4
176.04669	0.7
177.05443	4.2
177.09052	3.2
179.07001	12.8
179.08427	1.5
181.04962	9.2
181.06387	1.6
181.08533	11.4
187.07535	3.1
189.09053	45.9
191.07011	7.5
193.06535	1.4
193.08565	7.3
193.10081	1.2
195.01950	0.8
195.08031	3.6
195.09906	1.1
197.05916	1.5
199.07484	0.8
201.09018	1.6
203.07010	4.0
207.10121	55.2
211.07561	1.2
211.09612	0.9
213.08934	1.0
215.06989	3.8
217.08733	0.8
219.10080	3.4
221.05931	1.3
221.09656	1.3
223.07401	1.2
224.08221	1.3
225.08980	3.1
225.11180	1.6
227.10620	4.9
229.08588	1.4
241.08415	0.9
245.07994	1.0
247.09668	1.0
249.11194	1.1
252.07629	0.9
253.08455	3.7
253.12172	4.1
255.10097	6.2
265.08215	1.0
267.10019	1.1
273.11130	5.4
285.11111	6.5
286.03064	0.8
287.12787	7.2
291.12161	10.3
293.10535	0.8
297.11212	2.9
299.12784	1.8
310.30630	0.9
311.11581	1.1
313.14252	8.5
323.11264	1.7
325.14182	1.3
331.15314	29.9
341.12311	1.0
343.11584	4.2
343.15268	9.0
357.64874	0.9
361.12646	1.5
370.41452	0.8
379.13712	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	558.2906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01868	1.2
55.05495	1.3
57.03422	4.5
61.02907	8.1
62.23635	0.6
67.05492	1.6
69.03422	12.7
69.07050	1.2
71.04974	8.7
73.02889	2.9
76.55791	0.7
79.05473	1.5
81.03390	5.0
81.07027	3.7
83.04955	1.4
85.02888	73.8
87.04451	0.8
91.03923	2.9
91.05453	3.0
93.07017	3.1
95.04961	1.2
97.02872	18.0
99.04441	4.0
105.06989	4.1
107.04935	3.6
107.08603	1.2
109.02818	4.7
109.06525	0.8
109.10117	1.2
111.04429	1.0
119.08576	3.1
121.06508	1.5
123.08022	0.7
127.03913	11.7
128.06174	1.4
129.05452	1.2
129.07028	2.8
131.08488	2.5
135.11761	0.7
137.05969	2.6
139.07521	1.1
141.06952	1.2
142.07756	14.3
143.08537	17.6
145.04955	17.5
145.10104	2.8
155.08563	1.4
156.09297	0.9
157.10103	100.0
159.07896	0.9
163.05971	6.8
171.11678	4.0
181.10117	1.3
199.14809	25.8
217.15788	4.3
313.15210	0.7
325.11209	3.3
361.20087	2.6
460.27530	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01857	4.8
55.05518	0.7
57.03421	1.7
61.02906	1.7
62.28097	0.6
69.03101	1.0
69.03415	11.6
70.06567	0.7
71.04945	1.2
71.15797	0.6
71.84645	0.8
73.02898	1.0
73.20973	0.7
79.05468	5.7
81.03397	7.4
81.07020	1.3
83.04935	0.8
85.02891	26.8
91.05458	17.7
92.09245	1.5
93.06989	1.1
94.04179	1.3
95.04936	3.2
97.02871	9.9
99.04431	1.7
103.03930	1.5
103.05451	17.6
105.03387	1.0
105.07014	19.7
107.04937	37.7
107.08556	0.9
109.02876	4.0
109.06477	1.6
111.04428	0.8
115.03899	1.1
115.05420	5.3
117.06996	1.2
119.04923	14.5
121.06489	10.5
122.03601	4.1
127.03891	5.2
129.06956	6.4
130.04047	0.7
131.04906	19.4
131.08571	1.5
133.02821	18.5
133.06474	18.6
135.04419	3.3
135.08018	10.0
137.05954	100.0
141.06970	1.1
143.04950	0.7
145.04887	1.0
145.06465	2.9
145.07553	1.0
146.03549	0.7
146.07257	1.7
147.04385	20.3
147.07944	1.6
148.05153	3.7
149.04877	1.3
149.05960	18.8
150.06685	5.1
151.07518	27.6
152.52795	0.9
153.01877	1.8
155.92857	0.8
157.06438	5.6
159.04333	1.3
161.05946	82.2
161.09572	23.1
162.06760	10.5
163.07504	54.4
165.05475	5.5
165.06790	0.9
165.09111	6.5
167.06963	4.3
167.08388	1.4
169.06471	1.2
171.07935	0.8
174.06735	3.8
175.07483	10.8
177.05399	4.4
177.09074	3.8
179.06995	16.9
179.10645	1.2
181.08540	8.7
187.07494	3.7
188.08295	1.0
189.09068	44.4
191.07013	5.3
193.06493	1.3
193.08424	1.0
193.10066	1.1
195.08055	5.9
197.05940	1.6
201.09073	1.6
203.06927	4.8
205.08559	1.2
206.52359	0.8
207.10130	54.9
210.06754	1.4
211.07555	1.4
213.09041	1.0
215.06995	3.8
217.08530	1.1
219.10146	3.5
221.05902	3.2
221.07843	1.3
221.09767	0.9
222.06757	1.3
223.07440	1.5
225.09094	1.3
225.11111	1.1
227.07158	0.8
227.10571	6.7
229.08505	1.7
231.10132	1.2
233.08134	1.1
245.08000	1.2
252.07709	1.1
253.08488	2.8
253.12122	3.2
255.10060	5.5
265.08609	1.2
267.10034	1.7
269.08005	1.6
273.11200	4.2
275.08917	1.6
285.11166	5.8
287.12857	6.0
291.12283	6.3
292.56326	0.7
297.11026	1.6
299.12732	1.1
309.13489	0.8
311.11981	3.4
313.14294	5.1
323.10977	1.0
331.15326	23.1
343.15378	7.5
457.17892	0.8
469.18286	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.2481
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10592	0.2
53.03938	0.4
54.17638	0.2
60.64466	0.2
71.95114	0.2
79.05475	2.3
81.03407	0.3
81.07030	0.3
91.05444	0.5
92.02285	0.2
93.06985	0.2
95.04942	1.5
103.05472	0.4
105.04478	0.2
105.07024	0.2
107.04937	63.0
109.06510	0.5
113.02457	0.2
116.67987	0.2
121.06504	1.9
122.03607	0.4
123.04378	2.0
125.05959	3.7
131.03374	0.4
131.04918	1.5
135.05489	1.9
137.05954	100.0
147.04439	0.2
149.05916	1.8
151.03868	0.4
151.07518	0.4
157.06441	0.4
161.05934	0.5
171.04402	0.3
175.07524	2.2
179.07001	0.7
187.07561	0.2
227.85840	0.2
234.06760	0.3
237.94449	0.2
237.96820	0.3
249.09029	0.3
255.10109	1.7
257.08023	1.3
258.08377	0.4
266.09375	0.4
267.10184	0.4
273.11111	4.8
276.07764	0.8
277.08548	1.5
278.09317	0.3
279.06604	0.3
281.11600	1.4
291.10095	1.0
292.16324	0.2
293.08060	0.9
294.08841	1.3
297.11111	0.3
309.11127	10.1
399.15820	0.3
408.15042	0.4
416.16071	2.7
417.17010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	558.254
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03953	1.3
54.81324	0.9
55.01854	2.2
55.05474	0.9
58.86498	0.8
61.03902	0.8
62.49767	0.8
65.03920	1.1
67.05483	0.9
69.03402	1.8
70.06569	1.2
71.05003	1.0
79.05470	6.1
81.03375	1.3
81.07030	3.9
85.02906	8.2
91.05468	18.6
93.07029	2.1
94.04148	1.5
95.04948	5.6
97.02876	2.1
103.05465	13.8
105.06998	15.0
107.04938	34.8
107.05627	1.9
107.08627	1.1
109.06484	2.0
115.05409	2.2
117.07003	1.9
118.73169	1.0
119.04919	22.2
119.08575	1.3
121.06511	8.2
122.03638	4.6
122.07266	1.4
123.04385	1.3
123.08081	1.8
128.92662	0.9
129.06990	11.1
131.04886	22.0
131.08524	3.8
133.02840	5.1
133.06485	8.0
135.04424	1.1
135.08015	12.9
137.05952	98.5
145.06476	1.5
146.07265	4.0
147.04390	14.4
148.05203	1.7
149.05965	9.3
151.03976	1.1
151.07524	42.0
152.06157	1.1
157.06470	7.4
160.05081	1.6
161.05943	100.0
161.09596	24.4
162.06697	8.8
163.07509	54.7
165.06891	1.2
165.09077	1.6
167.07129	1.8
167.08482	3.2
174.06705	7.3
175.07498	13.8
177.09111	3.7
179.07005	4.9
181.08551	8.3
189.09065	63.5
191.06998	4.0
193.06413	2.0
193.10101	1.6
195.08029	9.2
206.07372	1.1
207.10136	56.5
209.09486	1.1
210.06775	1.3
219.10149	6.5
221.05927	2.1
221.09572	3.6
223.07590	3.7
224.08385	1.7
225.09018	1.9
227.10590	9.7
233.09558	1.4
237.09012	1.3
239.06946	1.2
253.08430	6.7
253.12175	4.8
255.10109	10.0
257.07901	1.0
265.08432	2.2
267.10284	2.0
269.07852	1.1
269.11951	1.2
281.11703	1.5
285.11096	9.6
287.12683	23.3
297.11093	2.1
299.12723	4.6
311.12704	9.6
313.14288	16.1
331.15332	60.6
343.15442	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.4044
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	25.9
55.05507	30.6
56.53610	2.8
57.03432	34.7
57.07064	100.0
67.05488	42.4
69.03413	5.2
69.07050	24.9
71.08618	54.0
73.02902	3.6
73.06533	6.5
79.05477	30.0
81.03401	7.5
81.07040	48.2
83.04964	16.3
83.08606	20.2
85.10159	26.3
88.92234	3.0
89.06013	78.0
91.05478	19.9
93.07029	19.6
95.04971	12.8
95.08570	37.6
97.06480	3.7
97.10150	18.1
105.07001	13.1
107.04961	3.5
107.08582	20.5
109.06485	3.5
109.10140	18.5
116.04691	17.3
119.08557	14.9
121.10156	12.6
123.08054	3.4
123.11763	4.5
125.09650	12.5
129.05457	43.1
133.08556	27.6
133.10121	6.7
135.11711	4.3
143.07043	5.5
145.10115	5.6
147.11688	3.4
157.08572	15.7
157.10007	4.7
166.95345	2.8
177.11201	5.1
189.11244	4.9
199.13303	4.4
227.12737	3.8
257.24585	4.0
301.16388	62.0
310.22919	3.1
313.27307	62.5
367.28302	4.1
371.22549	7.1
372.22971	4.5
438.36572	5.2
526.26624	4.1
539.39429	46.4
540.41449	12.2
560.62891	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79528	2.6
53.03928	4.2
55.05506	40.2
57.03426	13.8
58.06377	2.7
58.71141	3.3
65.03925	5.5
67.05490	77.2
69.03426	3.5
69.07053	25.3
79.05470	72.6
81.07036	77.1
83.04974	5.5
83.08594	7.0
91.05461	74.9
93.07021	71.9
95.04945	22.9
95.08588	49.7
97.06442	4.7
105.06355	5.8
105.07014	86.0
107.04911	18.7
107.08598	32.0
109.06496	6.0
109.10135	19.1
115.05432	4.1
117.06992	32.9
117.50758	3.2
119.08553	57.3
121.06480	5.6
121.10170	8.2
123.08021	3.8
128.06195	4.7
129.06972	35.3
130.29686	3.0
131.08548	51.1
133.10120	30.7
135.08005	4.8
135.11678	14.0
141.06952	7.6
142.07765	8.3
143.08527	44.0
145.10106	43.7
147.01181	3.8
147.08060	3.8
147.11620	32.1
149.13251	3.8
155.08517	40.5
157.10097	38.3
159.11681	21.7
161.13205	16.0
167.08492	15.6
169.10088	31.6
171.11681	33.0
173.13234	15.2
181.10085	22.0
183.11653	17.8
185.13200	16.3
193.10054	4.4
195.11681	16.0
197.13229	15.0
199.14796	5.5
207.11623	6.5
209.13213	16.2
211.14861	4.2
223.14856	5.1
241.19345	5.7
259.20471	14.5
281.17410	15.0
333.24066	6.8
340.46365	3.7
429.31903	3.7
437.34015	7.7
447.32431	23.0
465.33469	16.0
483.34613	9.8
521.36182	6.6
529.38635	5.1
539.37164	100.0
557.38306	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	557.3835
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01850	4.3
55.05503	41.7
56.45718	2.9
57.03418	17.8
57.07060	6.7
62.23044	3.4
67.05491	69.2
69.07053	23.7
70.29279	2.8
79.05476	58.6
81.03397	3.6
81.07030	65.6
82.81163	3.0
83.04963	5.9
83.08609	15.0
85.06493	3.3
91.05448	66.6
93.07022	57.8
95.04944	17.5
95.08593	38.7
97.06487	5.1
105.07021	71.7
107.04918	18.4
107.08584	35.1
109.06495	3.9
109.10130	15.4
117.07027	25.6
119.08549	50.9
121.06468	4.7
121.10104	21.7
123.11645	4.7
127.54987	3.3
128.06201	5.1
129.06984	27.8
131.08530	41.0
133.10092	38.6
135.11664	14.1
141.06979	6.6
142.07721	6.5
143.08551	33.5
144.32217	3.7
145.10118	35.2
147.08067	5.2
147.11658	31.8
151.07498	21.8
155.08534	24.6
157.10095	33.8
159.11674	24.5
159.72972	3.8
161.13214	12.9
165.86627	3.5
167.08479	12.0
169.10068	25.5
171.11662	32.0
173.13208	8.4
175.14711	3.4
181.10078	8.0
183.11641	22.6
185.13187	16.0
193.10123	4.1
195.11671	16.9
197.13255	5.1
199.14864	5.5
207.11771	4.3
209.13242	5.7
211.14745	13.4
213.16411	4.4
221.13248	4.4
223.14885	5.1
241.19556	4.8
259.20496	21.8
281.17386	13.0
419.33118	4.8
437.34305	4.3
447.32343	20.9
465.33527	20.9
483.34601	6.2
521.35992	6.6
529.38928	3.7
539.37238	100.0
557.38275	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2529
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.7
54.81509	0.1
55.01858	0.2
55.05504	0.2
57.07052	0.2
65.03925	0.3
67.05499	0.2
69.07062	0.2
78.04674	0.3
79.05468	0.8
81.07047	0.3
91.05458	7.1
91.06005	0.3
92.63754	0.2
93.07024	0.7
95.04955	1.3
95.08585	0.2
103.05425	0.3
105.04486	0.2
105.07028	1.0
106.04129	0.6
107.04935	44.8
108.05241	0.4
109.06464	0.2
111.04399	0.2
117.07027	0.2
119.04906	0.7
119.08532	0.2
121.06479	29.2
122.06823	0.2
123.08039	0.7
131.04919	0.9
131.08504	0.3
133.06470	1.1
133.10161	0.3
135.07008	0.2
135.07990	0.4
136.05188	0.7
137.05948	0.9
139.07513	9.2
145.06435	0.2
145.10066	0.2
149.05960	1.3
149.07098	1.7
151.07516	100.0
152.07869	1.4
165.09050	1.7
167.07022	0.2
169.10014	0.2
175.07538	0.3
177.09091	0.7
181.08612	0.6
189.09056	0.2
193.08585	0.7
205.08609	0.3
224.99226	0.2
257.11615	0.4
269.11664	1.0
271.13196	0.2
287.12814	1.6
313.14236	0.3
325.14200	0.3
328.65805	0.2
352.09296	0.2
419.18246	1.0
422.96716	0.2
539.36475	0.3
557.37982	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.3291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.46684	0.3
60.37102	0.3
67.05473	0.6
67.28055	0.4
79.05486	0.7
81.07033	0.8
85.02859	0.5
91.05458	1.5
92.08652	0.8
93.07014	0.7
95.04933	0.9
95.08586	0.7
105.06998	0.8
107.04936	5.3
107.08590	0.6
109.06494	0.5
109.10120	0.5
119.04912	0.4
121.02856	0.5
121.06513	1.3
131.04880	1.4
134.81068	0.5
135.04410	0.6
137.05954	1.9
139.03873	0.4
147.04401	1.5
147.64224	0.4
153.01836	0.7
153.05479	0.8
165.05392	4.1
167.07014	0.3
177.05464	0.7
229.37646	0.3
269.08057	0.9
271.06128	0.5
271.09460	1.2
287.05399	0.9
301.10712	2.3
311.05530	1.8
343.58032	0.5
365.10101	0.4
384.53983	0.4
395.27441	2.3
407.14783	1.6
422.12704	0.5
435.10843	2.0
459.27478	0.6
513.33722	1.5
539.31805	0.6
557.15381	2.8
557.32837	100.0
558.33264	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2167
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81749	0.9
55.01858	1.4
55.05499	1.5
57.03432	0.7
57.46847	0.6
63.94564	0.6
65.03918	0.8
67.05486	1.7
69.03416	1.4
79.05463	5.8
81.03388	1.6
81.07037	4.9
82.61617	0.6
83.01328	1.2
83.04955	0.8
83.08567	0.8
85.02896	1.5
91.05473	5.3
93.07022	3.9
95.04961	5.3
95.08595	2.8
97.10143	0.9
103.05450	19.2
105.07026	4.6
107.04942	34.4
107.08604	2.8
109.06501	3.5
109.10127	0.9
113.02341	20.2
117.07006	2.9
119.04839	0.9
119.08524	3.1
121.06503	3.1
121.10107	0.8
123.04411	5.8
123.08031	1.0
129.06952	2.9
131.03377	50.7
131.04907	47.7
131.08577	1.5
133.06473	1.3
133.10136	1.5
135.04425	0.9
135.05457	0.9
135.08018	1.2
137.05965	16.4
141.06924	5.2
142.07811	1.0
144.05673	3.2
145.06418	1.4
145.10144	1.0
147.04427	1.0
151.07506	1.0
152.06248	0.9
153.05453	1.5
153.06960	0.6
157.06471	39.5
157.10088	0.9
159.08006	0.9
159.11761	1.0
161.05960	3.3
163.07501	6.5
165.05455	3.0
165.06891	2.4
167.06952	0.7
167.08530	0.9
169.06471	12.6
171.02893	1.4
171.04373	42.4
175.07542	3.3
177.05482	0.9
179.03363	7.3
181.06618	0.9
183.08063	3.9
185.05823	0.7
187.07538	1.3
195.08041	2.9
197.05927	12.1
198.06551	1.0
203.07043	1.3
211.07500	0.7
223.07497	2.6
224.08017	1.0
225.05403	5.3
227.06906	0.9
229.08603	4.5
239.06934	0.9
241.04848	0.7
243.06413	4.0
251.06975	3.2
253.08395	1.1
255.10107	5.1
257.08032	100.0
269.08096	0.7
271.09595	2.8
283.09573	10.3
287.09119	1.6
407.09918	1.4
407.14859	20.5
435.94861	0.8
437.15826	0.9
476.45529	1.0
525.16589	0.8
534.21674	0.8
557.34174	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	557.18
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61011	1.0
53.03942	1.3
54.59757	1.0
59.47663	1.1
64.79836	1.1
67.05492	1.9
69.07034	1.5
79.05473	5.6
81.07024	7.3
91.05437	4.7
93.07006	2.8
95.01292	2.0
95.04928	1.9
95.08588	2.2
97.06490	2.0
99.04350	1.3
105.06984	2.0
107.04935	25.7
107.08591	2.8
109.06500	2.6
114.29613	1.3
115.05454	1.3
119.04900	2.6
119.08537	2.0
121.02793	1.6
121.06481	6.6
121.10132	1.3
123.04383	1.4
131.04880	1.7
131.08522	1.7
137.05934	24.7
143.08559	1.5
147.04391	29.1
149.05959	1.7
151.07498	7.6
165.01804	1.6
165.05437	2.9
166.06213	1.9
171.04370	2.0
181.01280	11.0
183.02946	1.8
191.03337	5.7
191.07016	6.2
210.85480	1.3
211.03815	4.8
215.03307	3.1
229.04874	2.9
243.10101	6.6
257.04382	100.0
275.05399	10.6
283.05875	1.6
287.05508	5.8
301.06976	9.0
322.38425	1.6
351.08643	1.5
393.09616	37.7
414.37921	1.5
437.12454	11.1
491.06964	1.6
539.34601	1.5
557.34595	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	4.5
55.05485	1.9
65.99125	0.9
67.05479	6.9
69.03424	1.1
69.07021	1.5
71.04951	1.8
79.05473	8.5
81.03397	1.0
81.07034	2.5
83.01337	1.3
83.04933	1.6
85.02856	0.9
88.54570	1.0
91.05457	6.4
91.79202	1.0
93.06998	5.0
95.04908	6.2
95.08585	2.5
99.04414	2.0
99.47514	1.1
103.05450	19.6
105.07024	8.0
105.07602	1.1
107.01286	2.0
107.04937	37.5
107.08563	5.4
108.61765	1.0
109.06490	2.3
109.14020	1.0
113.02377	10.9
117.06953	1.3
119.04928	1.4
119.08556	4.1
121.02831	1.7
121.06471	4.5
123.03523	1.8
123.04402	42.8
125.05972	1.4
129.07001	1.9
131.03412	14.3
131.04898	49.2
132.05602	1.1
133.06474	2.4
133.10078	1.2
133.34387	1.0
135.04401	9.8
137.05945	21.5
139.03886	5.1
141.06967	4.4
143.08492	2.2
144.05699	1.7
145.06436	2.4
145.10059	1.9
147.04349	1.7
147.11620	1.4
149.09633	1.6
151.03856	1.7
152.06151	1.8
153.05441	6.3
153.06940	4.8
155.08522	5.2
156.42307	1.2
156.65549	1.0
157.06471	2.5
157.10147	1.4
159.08058	1.3
161.05948	4.5
163.07474	5.9
165.05431	22.0
165.06970	11.1
167.07198	1.2
167.08437	7.8
169.06409	13.2
171.04376	1.2
172.05180	1.6
174.06654	1.8
175.07532	1.7
176.06252	1.4
177.05411	3.9
177.06956	7.3
179.03354	8.3
181.06358	4.5
183.08011	37.6
187.07477	15.4
195.08015	17.2
196.08595	1.2
197.05930	15.5
198.06792	1.5
199.07497	7.3
201.05443	24.8
201.09071	1.5
209.05928	1.6
211.07494	1.4
223.07480	15.5
227.06970	1.3
229.08566	14.3
233.08017	6.7
239.07137	1.6
240.07822	2.1
241.04800	1.7
241.08627	1.2
251.06943	26.7
255.06407	4.2
255.10054	9.9
257.08093	10.4
268.07248	1.5
271.09433	1.6
279.62189	1.1
283.09586	100.0
287.09064	51.6
301.10403	1.5
377.20914	1.2
407.14667	2.6
437.15857	16.6
575.20660	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69298	0.5
54.56996	0.5
61.02893	0.6
65.63042	0.5
67.01881	0.6
67.05485	1.1
68.99779	1.1
69.03427	1.0
69.07040	0.7
76.55939	0.5
79.05487	1.3
81.03420	1.1
81.07056	3.2
85.02934	1.0
91.05467	3.4
93.07050	1.0
95.04930	0.8
95.08588	1.5
97.02893	0.6
97.06528	0.9
105.07036	4.0
107.04941	19.5
107.05624	1.0
107.08586	1.0
109.10182	0.6
112.64118	0.5
119.04898	7.9
119.08579	1.2
121.06474	2.1
123.04454	4.0
125.06007	1.1
125.09589	0.7
133.06493	4.8
135.04376	4.4
137.02344	4.0
137.05977	1.3
139.03931	1.0
145.10146	0.8
147.04453	3.2
147.11699	0.7
151.07605	0.7
153.01794	8.2
161.02391	1.1
161.06001	0.7
163.03769	0.8
171.02898	2.6
171.08052	0.7
183.08049	0.6
196.57875	0.6
229.05011	1.3
243.10272	1.3
253.05109	0.8
253.08482	0.7
269.04385	0.9
271.06012	0.7
281.08038	0.5
287.05444	100.0
288.05768	0.9
299.05402	8.1
300.06314	1.0
311.05453	3.2
326.04245	0.7
327.04984	4.9
333.71976	0.6
391.08304	3.4
405.09665	16.4
411.23563	0.7
433.09006	5.2
459.27512	1.3
557.14465	39.6
557.32788	2.7
567.25598	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	557.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01870	1.2
67.05472	2.1
68.99765	1.5
70.22189	0.9
79.05464	1.9
81.07037	3.8
91.05463	5.1
92.99744	4.6
93.07001	1.4
95.01302	2.1
95.04978	4.3
95.08559	1.5
96.47070	1.1
103.05446	4.9
105.07013	2.0
107.01282	1.2
107.04933	27.8
107.08595	1.6
109.06468	1.2
109.10136	0.9
113.02340	2.2
117.06994	1.6
119.04895	1.3
119.08591	1.2
121.02833	1.5
121.06493	1.7
123.04396	19.2
128.06239	1.1
131.03368	4.2
131.04887	14.1
131.08498	1.4
135.04359	1.7
137.05939	21.7
145.02899	1.2
145.06499	4.1
145.10020	1.7
147.04381	24.3
147.08081	1.0
149.05946	1.1
151.03853	1.1
151.07518	1.9
153.05508	1.0
153.06973	1.2
155.04910	1.7
157.06323	1.0
161.05922	4.3
163.07529	1.5
165.01695	2.0
165.05472	5.8
165.06990	5.9
167.08505	1.3
168.05731	1.1
169.06453	2.2
169.68964	1.0
171.04329	3.7
173.06000	6.1
175.07504	6.0
177.01845	3.8
177.05418	5.0
177.06908	1.8
180.05721	1.1
181.01302	10.2
183.04474	1.3
183.08017	10.9
187.07552	6.1
191.03366	4.8
195.08006	5.5
197.05930	7.4
201.05450	9.5
203.06990	17.0
209.05959	1.1
211.03885	5.2
215.03403	4.1
223.07484	7.0
229.04868	5.2
229.08580	4.2
233.08131	1.6
239.03421	3.6
251.06963	9.3
254.05606	1.0
255.06386	1.8
257.04385	100.0
273.03873	1.6
274.06863	1.3
275.05338	8.2
283.05963	17.2
283.09586	31.3
287.05661	3.7
287.09088	19.7
313.06985	34.5
313.09906	1.4
327.38977	1.0
407.11029	27.9
407.15759	1.3
433.12372	2.1
437.11438	1.7
437.16486	1.9
463.13748	19.6
486.02036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	556.2036
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19262	0.8
53.05524	0.8
55.05496	0.9
57.03423	11.8
59.04975	1.3
59.64647	0.8
67.05494	3.6
69.03413	41.2
69.07047	3.8
70.62195	0.9
71.04979	1.1
75.04444	2.2
75.21902	1.0
79.05465	1.8
81.03405	0.9
81.07051	6.8
82.07367	1.1
83.08620	1.1
85.02885	26.2
87.04447	20.8
91.05458	100.0
93.07019	3.5
95.08585	5.2
96.08910	1.3
97.02863	23.4
99.32945	0.8
105.07013	1.6
106.07352	0.9
107.08564	4.0
108.08921	0.9
109.02914	0.9
109.10128	3.2
115.03895	22.7
119.08549	6.0
120.08836	1.2
121.10060	3.7
123.04414	1.3
127.03883	3.5
131.08502	0.9
133.04935	21.3
133.10106	2.0
134.10405	1.4
135.11656	1.5
137.02379	0.9
145.04951	1.7
145.10123	1.3
149.02316	0.9
159.11621	1.3
161.13182	4.4
162.13579	3.3
167.03360	4.2
197.15204	1.3
242.57387	1.0
245.08006	4.3
269.07968	6.0
304.23355	2.0
309.24249	1.1
322.24521	1.3
323.08923	1.4
323.24570	1.5
341.10220	1.4
556.27405	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	556.421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	3.5
55.01865	4.0
55.05509	30.2
57.03421	19.3
57.07070	81.9
67.05489	39.4
69.07056	29.3
69.32484	3.7
70.06585	8.0
71.01318	4.0
71.04964	5.5
71.08611	46.4
76.56417	3.5
79.05474	45.0
79.60781	4.2
81.07036	55.9
83.08604	27.4
85.10149	33.2
89.05983	29.2
91.05479	19.5
93.07021	50.9
95.04942	16.2
95.08587	77.6
97.06480	4.9
97.10152	6.9
105.07032	15.9
107.04939	16.7
107.08585	51.6
109.10157	22.5
117.06979	19.4
118.09562	4.3
119.08575	14.2
121.06447	8.8
121.10135	20.8
133.08545	6.5
133.10103	6.0
135.11658	83.5
145.10106	57.9
163.11147	90.5
181.12268	14.1
185.44266	3.9
196.66150	4.2
227.12724	80.0
228.78758	3.8
256.26175	5.8
257.24789	5.0
283.15286	49.2
283.26196	33.4
300.28787	28.3
308.91116	4.5
313.27325	100.0
379.48950	3.9
404.12067	4.5
451.41479	4.0
521.38232	78.7
556.52527	35.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01819	3.3
55.05464	0.5
60.50967	0.4
68.99738	0.8
69.03382	0.7
79.05417	2.1
80.45026	0.5
81.03372	0.6
81.07018	1.1
85.02851	0.5
88.46362	0.5
91.05386	2.2
95.04890	1.1
95.08537	2.1
97.06457	0.8
98.89048	0.6
103.05427	1.9
103.71722	0.4
105.06985	0.8
107.04936	6.9
107.38097	0.5
119.08488	0.7
120.68283	0.5
123.04345	2.0
125.05923	2.4
125.09482	0.6
129.06926	2.5
131.04903	7.4
135.04373	0.5
137.05931	6.4
139.03844	2.0
141.06891	0.8
144.05606	3.0
145.06451	0.7
151.07500	0.9
152.06039	0.5
153.05443	32.1
153.06775	2.1
155.08534	0.8
157.06453	23.1
165.05511	0.9
165.06944	8.9
167.06947	3.1
167.08446	3.1
168.05702	0.6
169.06390	2.9
171.04353	2.1
171.07982	2.7
177.06898	1.2
178.07751	4.8
179.06982	0.9
179.08485	12.9
181.06447	7.0
182.07191	2.9
183.08025	5.9
185.05962	3.6
189.06946	4.2
190.07666	0.6
193.06395	6.7
194.07195	1.1
195.04433	1.0
195.08043	6.1
196.05176	1.0
197.05873	3.5
197.09547	2.3
199.07445	0.9
205.06390	0.9
206.07312	1.0
207.07988	15.8
209.05791	1.1
210.06709	6.7
211.07538	5.6
217.06320	0.7
218.07153	0.9
221.06012	3.5
222.06590	1.0
223.07529	3.8
225.05350	3.1
225.09042	7.4
227.06993	3.7
229.08478	0.6
234.06778	0.7
235.07478	13.3
237.05437	1.1
238.06215	3.9
239.06973	5.6
241.08580	0.7
249.05386	1.2
251.06909	2.0
253.08536	22.5
254.09283	2.2
263.06943	7.1
266.05649	7.0
280.06900	0.6
281.08014	56.1
284.08105	0.6
285.08911	0.7
287.06897	0.7
291.09915	0.7
301.08414	0.6
302.09055	0.6
313.08572	0.6
319.09470	0.7
330.08685	2.5
345.11191	1.0
351.12323	0.8
358.08163	1.1
373.10651	2.5
375.25259	0.8
393.26144	2.9
405.13220	100.0
406.13821	0.8
456.72781	0.5
511.32437	0.6
555.31274	63.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01854	0.2
55.05503	0.3
59.90531	0.1
62.32581	0.2
65.03912	0.3
67.05493	0.2
69.07053	0.3
77.03898	0.2
78.04681	0.4
79.05470	0.7
81.07061	0.7
88.31337	0.2
91.05460	6.8
93.07037	1.4
95.04940	2.4
95.08570	0.3
103.05436	0.2
105.04468	0.3
105.06974	0.3
106.04128	0.7
107.04935	40.4
107.08585	0.5
109.06537	0.2
109.10163	0.3
119.08582	0.4
121.06477	25.2
123.08057	0.8
131.04892	1.1
136.05188	0.3
137.05946	0.4
139.07516	8.3
142.11885	0.2
145.10109	0.5
147.04411	0.3
149.04907	0.2
149.05934	1.9
149.07089	1.4
151.07516	100.0
152.07889	0.3
162.06752	0.2
163.07434	0.2
171.66133	0.2
181.08601	0.3
193.08504	0.8
253.66081	0.2
257.11780	0.2
269.11807	1.4
287.12753	1.7
323.12643	0.4
568.57605	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	555.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.9
60.76359	0.3
67.05479	0.4
68.99760	2.6
69.03403	0.4
71.01295	0.3
75.36646	0.3
79.05449	1.5
81.03386	0.6
81.07027	0.7
83.01294	0.4
83.04974	0.5
91.05451	1.8
93.03360	0.4
94.04150	0.4
95.04937	0.7
97.02875	0.4
97.06477	0.3
103.05428	2.0
105.06985	0.5
107.04921	6.4
107.08554	0.4
109.02851	0.7
109.06537	0.4
109.10132	0.4
115.05429	1.7
115.40334	0.3
119.04932	0.5
119.08553	0.3
121.02864	0.5
121.06487	0.4
123.04379	3.2
125.05953	2.6
128.06212	0.4
129.06996	1.3
131.03391	0.4
131.04878	7.5
135.04393	0.4
135.08003	0.4
137.05949	6.2
139.03860	1.6
141.01797	0.3
141.06956	1.4
143.04836	0.7
143.08447	0.3
144.05672	4.0
145.06493	0.5
151.03848	0.8
152.06197	1.6
153.05429	30.4
153.06882	2.0
154.07765	0.5
155.08511	1.5
157.06450	24.7
163.07358	0.4
165.05534	1.1
165.06931	8.9
166.07742	0.6
167.06978	3.4
167.08514	3.2
168.05675	0.7
169.06429	2.8
169.10138	0.5
171.04384	2.0
171.07961	2.7
177.05479	0.3
177.06924	1.6
178.07724	4.6
179.08498	13.0
181.06418	6.9
181.10065	0.3
182.07227	3.8
183.08006	6.4
184.05168	0.4
184.07231	0.5
185.05946	3.8
185.09641	0.4
189.06944	4.6
190.07788	0.6
192.05678	0.5
193.06395	6.4
194.07158	1.3
195.04393	2.1
195.07994	6.0
196.05098	2.2
197.05954	2.3
197.09544	3.1
199.07455	1.5
205.06468	2.1
206.07249	1.6
207.07999	15.4
209.05914	2.7
210.06705	8.1
211.07509	7.1
217.06436	0.7
218.07251	1.5
221.05873	3.5
223.07489	2.7
224.04639	1.2
225.05547	2.5
225.09048	6.1
227.06949	3.6
234.06694	0.8
235.07466	16.5
235.09793	0.7
236.08244	0.6
237.05429	1.2
237.09009	0.5
238.06154	4.5
239.06871	4.1
241.08574	0.7
249.05472	1.5
250.06229	0.4
251.06895	1.7
253.08521	23.2
254.09354	3.5
255.06509	0.4
263.06982	6.6
264.07666	0.6
265.04987	0.4
266.05643	8.4
274.09763	0.5
277.08572	0.5
280.07150	0.7
281.07993	58.1
282.08237	0.6
285.08978	0.7
287.06866	0.7
291.10141	0.7
301.08612	0.4
302.09323	0.8
311.09222	0.4
312.07654	0.4
313.08484	0.7
317.11636	1.3
319.09485	0.6
327.10162	0.5
328.10770	0.4
329.08188	0.5
330.08859	2.1
341.08075	0.7
345.11145	1.7
355.09680	0.5
358.08215	1.7
373.10526	3.3
389.09982	0.3
405.13199	100.0
406.13437	0.6
463.12906	0.4
555.19592	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.3536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62105	1.1
53.03940	1.6
55.01853	1.4
55.05496	19.9
55.82568	1.3
57.03429	2.8
57.07058	6.4
66.03974	1.3
66.76540	1.4
67.05488	44.2
69.03400	8.4
69.07050	26.2
71.04983	2.9
71.08604	2.2
74.99415	1.5
79.05473	33.8
81.03403	2.3
81.07036	96.4
83.04959	3.8
83.08594	14.7
85.02895	11.0
85.06529	2.1
90.89036	1.8
91.05463	27.3
93.07017	71.7
95.04939	8.2
95.08582	100.0
97.02859	3.2
97.06499	6.7
97.10153	6.2
103.05440	1.6
105.07008	69.4
107.04938	1.9
107.08574	70.7
109.02850	1.9
109.06483	8.6
109.10137	49.9
111.08066	8.6
117.06988	10.7
119.08556	95.1
121.10128	44.9
123.04427	2.8
123.08044	10.4
123.11662	11.4
125.09586	7.4
127.03939	1.9
131.08545	27.8
133.10094	57.0
135.08003	7.6
135.11650	38.7
137.05945	3.1
137.08617	3.0
137.09590	41.1
137.13245	6.5
139.11124	2.9
143.08522	7.3
145.10092	35.8
147.11656	36.2
149.09605	2.5
149.13240	33.7
150.53169	1.6
151.11166	6.6
153.09085	1.7
155.08539	2.0
155.10606	3.7
157.10065	8.9
159.11652	46.6
161.13214	73.2
163.11139	1.9
163.14766	6.2
165.12714	17.8
165.16277	2.3
169.10184	1.5
171.11627	6.4
173.13191	27.0
175.14755	8.9
177.05357	2.6
177.16347	2.5
183.08018	1.6
183.11679	7.9
185.13222	3.6
187.14764	2.6
189.16277	1.5
191.14232	2.0
193.15849	3.4
197.13208	6.2
199.14781	3.8
201.16351	3.9
203.14218	1.6
209.15469	2.4
215.14258	2.3
227.17992	2.3
243.21046	1.7
255.20938	2.5
257.18903	1.9
257.22610	7.6
259.20551	3.5
261.22141	7.8
267.21024	13.4
273.22098	9.3
275.23709	2.3
277.21429	2.5
285.22083	32.1
291.23099	26.6
303.23120	74.2
309.24097	21.9
321.24200	91.1
339.25275	22.2
357.26389	3.9
535.37958	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.4623
Annotation	Unknow
Peak:m/z	Relative Intensity
51.82030	2.8
57.07068	40.5
69.07040	3.5
71.08607	26.7
73.06561	3.1
80.89184	3.1
83.08604	3.3
85.10153	17.3
89.06011	100.0
91.05785	6.8
92.09225	18.2
93.07003	3.6
97.10184	4.1
99.11779	3.4
99.75206	3.4
104.74371	3.2
108.43433	3.2
110.14385	3.0
121.33665	3.5
133.08566	27.7
141.21173	3.6
177.11172	6.6
204.53314	3.2
225.04233	13.5
299.29474	7.9
327.19901	7.3
352.49969	3.2
480.04193	3.7
537.43597	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	555.2007
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.9
55.10445	0.5
55.26163	0.5
59.27243	0.5
67.05489	0.6
68.99775	2.3
79.05457	1.0
80.47190	0.4
81.07039	0.7
86.09009	0.5
91.05476	0.9
92.64725	0.5
93.07043	0.6
95.04959	2.1
103.05436	2.0
107.04949	8.3
109.02864	1.0
115.05424	1.1
121.02829	0.6
123.04396	2.7
125.05960	3.4
129.06999	0.8
131.04895	6.6
137.05951	6.8
139.03925	1.2
141.01807	0.5
141.06978	1.2
144.05724	4.8
145.06485	1.2
151.03880	0.5
151.07475	0.5
152.06169	0.7
153.05455	33.4
153.06778	2.0
154.07764	0.5
155.08533	2.3
157.06467	27.5
165.05531	1.6
165.06970	8.3
167.06996	4.6
167.08551	3.4
169.06476	3.0
169.10136	0.5
171.04393	2.9
171.08104	1.7
177.06958	2.1
178.07813	3.7
179.08517	12.1
181.06425	7.3
182.07265	3.2
183.08029	6.2
185.05963	3.6
187.07481	0.7
189.07042	3.7
190.07822	0.7
193.06468	6.6
194.07317	1.1
195.04457	1.0
195.08008	6.8
196.05206	2.4
197.05977	2.9
197.09679	1.8
201.05507	0.7
205.06425	0.7
206.07303	2.1
207.08008	15.8
209.05998	2.3
210.06775	7.9
211.07472	5.6
217.06340	0.6
218.07227	1.0
221.05933	3.0
223.07443	4.0
224.04721	0.9
224.08517	0.7
225.05412	2.6
225.09048	5.6
227.06966	5.1
229.08308	0.6
234.06732	1.2
235.07507	14.8
237.05482	0.8
238.06262	4.7
239.06897	4.6
247.07426	0.7
249.05347	0.8
251.06961	0.9
253.08540	22.8
254.09325	2.6
259.07602	0.5
263.06995	6.5
266.05646	7.6
269.07925	0.9
281.08029	56.8
284.08188	0.7
285.09262	0.8
287.06738	0.7
291.10083	0.8
319.09735	0.9
330.08829	0.8
345.11218	1.2
351.12289	0.8
358.08200	1.1
373.10690	2.4
405.13251	100.0
406.13779	0.8
555.19965	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.7
55.01862	0.7
55.05491	3.2
57.03426	12.5
59.04978	0.7
60.97744	0.4
61.02908	1.3
65.03922	0.9
67.05481	0.7
68.99779	0.6
69.03417	5.3
71.01310	1.9
71.04974	76.3
72.04642	0.6
73.02895	3.0
75.04462	7.0
79.05479	1.0
81.03391	2.4
83.04967	8.0
85.02886	100.0
85.06511	0.6
85.10208	0.5
87.04446	3.1
87.57323	0.6
91.05458	13.6
93.07017	1.0
95.04933	2.5
97.02884	6.0
97.20189	0.6
99.04434	3.3
107.04933	39.7
107.08580	1.3
109.02880	2.6
110.87705	0.5
111.04427	6.4
115.05461	0.7
119.04916	13.2
119.54915	0.5
120.05663	2.6
121.02840	3.4
121.10130	0.8
123.04391	1.4
127.03876	3.6
129.05446	24.6
131.04906	3.9
135.04388	28.5
136.05168	1.2
137.05963	2.3
141.06941	2.1
145.04948	0.6
145.06445	2.5
146.08086	0.9
147.06483	10.6
155.08536	1.0
157.06346	0.8
159.07976	0.7
161.05989	0.6
163.07434	1.2
164.09181	2.1
165.06937	4.7
174.06720	2.7
175.07457	5.3
183.08002	5.7
187.07506	1.3
189.09111	0.9
191.06937	0.6
193.06471	1.1
207.08131	0.6
211.07535	4.2
215.07021	0.9
225.09160	2.0
229.08549	69.1
230.08827	0.7
233.07999	3.8
235.07533	0.6
235.09720	1.1
241.08513	6.5
244.23059	0.6
253.08577	5.7
265.08450	2.4
267.10056	0.9
271.09607	2.7
277.08560	0.7
283.09518	0.8
285.11145	1.1
295.09534	4.7
309.11566	1.0
339.12170	0.9
345.13275	0.8
352.57452	0.6
391.13846	0.8
487.80142	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	554.223
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01264	3.0
55.05500	2.7
57.03420	4.0
58.51073	3.0
59.67171	2.7
63.16602	2.8
69.03408	5.5
70.06564	13.6
71.04961	13.4
79.05463	3.6
81.07048	4.1
85.02877	41.8
89.98428	3.0
91.05424	3.8
93.07019	4.8
95.08585	6.3
97.02859	6.5
101.58112	2.7
102.40522	3.3
105.07027	5.0
107.08598	5.3
109.02859	4.4
109.10114	4.0
114.37186	3.0
119.08497	4.5
121.10087	5.2
127.03876	6.9
129.06984	27.2
133.10075	4.7
135.11613	3.7
137.05951	57.6
139.03859	3.8
143.04918	3.3
148.11203	12.5
153.05490	5.2
155.04944	5.0
158.07234	7.0
161.05936	27.3
163.07524	4.2
165.06929	5.5
173.05898	6.3
174.06676	47.6
174.07822	3.1
175.07457	22.1
177.05496	4.8
187.07455	38.5
188.04620	3.9
189.09068	37.1
191.06909	3.2
193.06488	4.9
193.15874	4.3
195.49026	2.9
203.07004	23.5
205.04945	7.4
210.06810	5.2
215.06956	23.6
221.05983	20.2
225.09100	22.9
233.08032	99.7
238.06184	5.5
251.09007	15.8
253.08479	49.1
267.10019	19.0
277.08521	6.3
285.11108	100.0
295.09570	6.4
297.11203	5.5
307.06119	3.2
309.11157	5.0
327.08661	6.0
327.12192	95.4
345.13229	71.8
355.25317	3.3
357.12970	4.1
497.72113	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	552.3741
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81606	1.4
55.05503	13.5
56.71999	1.4
57.03426	2.6
57.07063	7.1
60.50733	1.3
67.05494	26.5
69.03412	1.8
69.06772	1.5
69.07061	24.2
69.97189	1.3
71.04955	2.4
79.05486	14.3
81.07039	100.0
83.08613	17.4
85.02888	8.1
85.06522	10.9
86.09702	3.4
91.05461	6.6
93.07022	29.7
95.08591	73.2
95.09199	2.9
97.06494	9.7
97.10149	3.0
102.37221	1.5
105.07011	12.2
107.04935	3.1
107.08580	37.1
109.06499	9.9
109.10141	50.9
111.08039	2.2
111.11697	3.4
119.08577	13.6
121.10118	31.2
123.08028	6.8
123.11694	36.6
125.09602	2.8
127.07529	7.4
131.24532	1.6
133.10130	15.6
135.11673	29.5
137.09613	3.3
137.13203	12.0
143.08534	1.8
145.10115	3.5
147.11658	8.2
149.13240	22.4
151.11186	6.1
151.14784	1.9
153.08957	1.6
159.11610	6.1
161.13220	10.3
163.14793	8.9
165.12729	2.4
171.11656	2.5
173.13248	3.1
175.14790	2.6
177.12738	2.0
177.16356	6.2
179.14276	2.8
181.12160	2.4
184.07317	8.7
191.14157	3.1
195.13847	1.6
201.16422	1.7
203.17953	2.6
205.19470	3.8
207.05014	1.6
263.19952	3.1
283.24130	7.6
284.20343	1.6
291.26645	2.1
301.25186	12.2
319.26248	66.0
337.27310	55.9
355.28427	1.6
552.35547	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	553.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05492	2.3
68.52803	1.0
71.28505	1.1
79.05474	2.6
81.07047	2.2
91.05452	12.8
93.07014	4.9
93.60532	1.1
95.04952	2.1
95.08575	1.8
105.07015	15.5
107.04935	100.0
107.08576	1.9
109.10139	1.2
111.04431	2.7
119.04906	40.9
119.08585	2.6
121.02856	1.9
121.06473	9.8
121.10081	1.3
131.08580	1.3
133.06471	13.6
133.10083	1.6
135.04407	2.1
135.08095	1.8
137.05981	2.8
139.07552	2.1
145.06499	2.7
147.04381	18.1
149.05887	1.3
151.07520	11.6
159.08000	1.4
161.05936	2.9
165.05402	2.4
165.06982	1.3
167.08461	1.2
167.39359	1.3
177.96114	1.2
179.08528	1.5
185.13490	1.3
190.96114	1.4
193.10191	1.6
197.09604	2.5
203.07028	1.8
225.09122	1.4
226.09831	2.6
242.09320	4.7
257.11642	32.8
267.10123	2.6
281.11688	2.9
285.11115	11.6
309.11136	7.0
437.42075	1.3
553.38495	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	553.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81863	0.5
58.88260	0.5
60.06042	0.6
61.02887	0.7
61.43996	0.6
67.05485	2.6
73.91273	0.5
76.17124	0.6
79.05492	0.9
81.07009	2.2
81.27675	0.6
83.01074	1.0
84.13016	0.6
91.05460	1.6
93.07011	1.4
95.04951	0.8
95.08615	1.3
105.07028	1.4
107.04933	3.6
107.08582	1.4
109.06493	0.9
109.10160	1.0
133.10039	0.8
145.06435	0.7
161.66449	0.7
185.04179	2.6
201.03696	1.6
203.05284	1.5
259.07907	2.6
331.09839	3.4
359.13083	0.8
415.19351	1.6
483.21991	2.3
548.20966	0.7
553.29718	100.0
554.29950	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	552.374
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.7
53.03935	0.9
55.01860	0.8
55.05502	13.0
57.03405	0.6
57.07058	5.0
65.03914	1.0
67.05492	19.1
69.03401	1.5
69.07053	27.1
71.04961	2.6
71.08611	0.7
73.06492	0.6
79.05479	10.9
81.03415	0.7
81.07037	100.0
83.04956	4.0
83.08598	12.9
85.02886	7.0
85.06518	9.0
91.05445	5.4
92.66151	0.6
93.07019	30.5
95.04956	1.0
95.08582	74.5
97.02884	2.3
97.06522	7.9
97.10130	7.4
99.04430	3.9
99.08046	1.2
101.05986	0.9
103.42731	0.6
105.07016	13.7
107.08576	38.1
107.25275	0.6
109.02850	0.7
109.06496	7.2
109.10138	45.4
109.36433	0.6
111.04412	3.2
111.08087	4.6
111.11703	2.9
112.39664	0.6
114.55311	0.6
115.07497	1.0
115.83259	0.6
117.07052	0.7
119.08549	11.9
121.02840	53.1
121.06471	1.3
121.10123	30.8
123.08047	7.7
123.11681	29.4
125.05824	0.8
125.09599	3.3
127.03893	0.7
127.07536	6.8
131.08543	3.6
133.10104	13.1
135.08026	1.5
135.11667	25.8
137.09563	2.8
137.13242	11.5
138.56068	0.6
141.09058	1.0
145.10100	5.1
145.68568	0.6
147.08098	0.7
147.11668	15.0
149.09602	4.0
149.13235	17.9
151.11163	11.3
151.14792	1.2
153.12697	1.0
157.10077	1.0
159.11658	7.8
161.13210	9.1
163.11111	3.2
163.14775	7.2
165.12764	5.2
165.16411	0.7
167.10664	1.0
173.13220	3.1
175.11223	0.7
175.14859	5.1
175.16130	0.8
177.12737	2.5
177.16356	3.2
179.10626	1.4
179.14217	2.1
179.17972	1.0
181.12231	0.9
184.07233	2.5
185.13133	0.9
187.14810	3.1
189.16344	1.3
191.14320	1.2
191.17909	2.6
193.12154	1.3
195.13771	2.8
197.98947	0.6
199.14767	1.0
201.16402	2.6
203.17950	3.6
205.19547	2.6
206.92857	0.7
209.15369	2.8
219.17520	1.3
227.18011	2.5
237.18509	2.5
241.19334	0.7
245.19165	0.8
249.07552	6.4
249.18443	0.6
260.64954	0.6
263.20068	1.4
265.01816	0.6
273.25934	0.8
274.59845	0.6
277.25266	1.1
283.24210	4.9
291.26660	2.4
301.25214	10.2
319.26236	61.1
320.26511	0.9
325.22495	0.7
337.27292	85.8
338.27719	1.4
355.28339	8.4
373.29639	1.3
436.09546	0.7
552.35712	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	552.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.05507	8.9
67.05484	3.0
69.03401	3.2
69.07055	12.4
71.04981	7.3
79.05471	3.0
79.69081	0.5
81.03401	1.0
81.07038	10.3
83.08620	5.3
83.71815	0.5
85.02878	6.8
91.05463	10.7
92.08712	1.1
93.07030	7.7
95.04939	1.1
95.08584	10.6
97.02844	1.3
105.07013	25.2
105.57996	0.6
107.08576	16.9
109.06475	0.6
109.10136	1.3
117.06993	5.5
119.08556	100.0
121.10152	4.9
127.03884	2.1
131.08551	2.8
133.10106	29.1
145.04919	1.4
145.10069	2.8
147.11655	5.4
149.09608	0.8
160.12476	0.6
173.13210	1.3
175.14784	65.8
188.03537	0.5
209.15331	0.7
215.09146	1.1
233.10121	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	552.3295
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	1.7
58.06587	0.6
60.08155	19.5
67.05505	1.5
69.07080	0.7
71.07361	6.9
79.05492	0.9
81.07040	3.5
81.46344	0.7
83.04964	0.9
84.04138	0.8
85.02892	0.8
85.85133	0.8
86.09692	64.1
87.28831	0.7
91.05444	1.0
93.07014	3.1
95.08568	1.5
97.06572	0.8
98.98462	4.9
104.10725	76.1
109.10143	1.3
124.99075	1.6
124.99982	40.6
137.09630	0.9
145.10178	1.2
150.75850	0.8
184.07309	100.0
185.45015	0.7
219.01398	0.8
239.40001	0.8
403.11786	1.4
452.23822	3.5
495.13043	1.3
534.31622	6.1
552.32935	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3549
Annotation	Leu Lys Tyr Lys
Peak:m/z	Relative Intensity
52.09056	0.3
52.83764	0.3
67.05496	0.6
69.07051	0.6
81.07037	1.7
83.08582	0.4
92.08634	1.2
93.07006	0.9
93.29059	0.4
95.04942	0.6
95.08580	2.1
105.06995	1.0
107.08602	0.6
109.06571	0.4
119.04940	0.4
119.08586	0.9
120.79247	0.4
121.10157	0.5
123.11681	0.5
124.74558	0.4
135.11639	0.6
165.12895	0.4
184.07387	1.7
285.96292	0.5
353.26578	0.9
409.39120	0.5
515.33307	0.5
533.34528	3.9
551.35425	100.0
552.35455	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	3.8
53.68432	2.9
55.05490	20.3
57.03428	7.0
57.07063	40.1
65.66251	2.9
67.05495	25.9
69.03396	2.9
69.07046	21.0
71.08613	26.8
75.37498	2.4
79.05469	25.0
81.03395	49.9
81.07038	39.0
83.04951	5.4
83.08592	19.2
85.02908	22.5
85.10146	16.4
91.05443	18.8
93.07006	19.1
95.04948	20.0
95.08569	29.6
97.10105	3.6
99.29361	2.9
105.06982	24.5
107.04946	4.2
107.08566	15.4
109.10151	7.0
111.08069	4.2
114.02114	2.6
114.94339	2.8
119.08552	17.8
121.10091	14.3
129.06940	5.7
131.08517	12.5
135.11647	4.4
141.04042	3.4
145.10106	4.7
147.11641	5.5
157.10051	5.2
159.11603	3.8
171.58327	2.8
193.02837	3.2
193.12195	20.5
211.13254	14.7
267.15900	6.9
341.30432	5.7
384.49402	3.4
385.04050	3.2
528.95361	3.4
533.42151	5.1
551.35596	5.6
551.43018	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.3426
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57024	1.0
52.44218	1.0
53.03936	1.5
53.40167	1.0
54.51519	1.2
55.01866	1.3
55.05507	12.7
57.07058	5.6
59.03207	1.1
59.61357	1.0
65.03929	2.0
67.05487	22.4
69.03412	6.1
69.07056	30.6
71.04980	5.3
72.56781	1.2
79.05475	15.9
81.03351	1.5
81.07037	100.0
83.04979	1.9
83.08604	7.3
85.02883	5.7
85.06535	11.2
91.05460	12.6
93.03393	2.4
93.07023	43.3
95.04935	6.7
95.08583	58.3
97.02835	2.2
97.06492	7.8
97.10161	2.0
99.04442	8.4
101.05988	2.0
104.43018	1.2
105.07006	35.1
107.08576	58.7
109.06501	14.3
109.09386	1.9
109.10139	58.4
111.08086	2.7
119.08545	24.3
121.02838	5.1
121.06487	2.8
121.10120	43.6
123.08051	12.5
123.11681	52.2
125.05986	2.5
125.09650	2.5
127.03903	1.4
127.07523	13.5
131.08557	7.2
133.10097	33.5
135.08037	5.1
135.11667	35.5
137.05931	1.6
137.09608	2.6
137.13246	10.1
139.03793	1.5
139.11176	2.3
143.08444	1.4
145.10072	13.0
147.11668	35.9
147.12749	2.1
149.09598	5.6
149.13258	13.7
151.11159	51.6
153.05443	75.5
153.09102	1.9
153.12726	4.5
157.10135	1.8
159.11656	12.2
161.13216	8.9
163.11163	5.0
163.14754	1.7
165.12727	13.8
167.10629	1.7
171.11641	5.4
173.13249	7.0
175.11128	6.4
175.14767	7.1
177.12727	8.9
177.16327	5.0
179.10657	6.2
179.21300	1.3
181.12155	1.9
183.11777	1.4
183.13734	2.6
185.13278	2.6
187.13242	1.8
187.14755	4.5
189.12819	1.3
189.16458	1.6
193.12227	5.7
195.13815	5.8
201.16402	2.5
203.17931	5.2
205.15855	1.3
207.13768	2.5
215.12756	5.5
220.69588	1.2
247.25038	1.4
281.22476	2.1
299.23624	5.9
303.12253	13.5
317.24698	37.7
335.25729	99.5
353.26816	47.2
493.50626	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.2236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	0.6
55.05497	3.4
57.03432	13.3
58.78992	0.7
59.04976	0.9
61.02909	2.7
66.07872	0.7
67.05486	0.7
69.03420	4.1
69.07045	2.8
69.21368	0.5
71.01340	0.8
71.04981	77.5
73.02894	3.9
75.04449	4.2
77.28142	0.6
81.03416	0.7
81.07045	2.7
83.04978	9.1
85.02895	100.0
87.04431	1.3
93.07038	1.7
95.04957	0.9
95.08566	2.9
97.02874	5.8
99.04437	1.3
104.10679	0.8
105.07036	1.1
107.08570	2.9
109.02843	0.7
109.10120	2.6
111.04437	5.0
119.08549	0.7
121.10126	1.7
127.03888	3.7
129.05470	22.7
139.12390	0.8
145.04944	3.3
146.08119	0.8
147.06490	12.7
147.31120	0.9
157.05322	1.1
164.09219	5.4
171.08104	0.7
181.06418	1.5
250.08665	3.0
255.08418	0.8
365.30460	1.2
372.14331	3.1
551.35767	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	551.2824
Annotation	Unknow
Peak:m/z	Relative Intensity
67.05503	2.6
79.01595	8.9
79.05476	2.7
81.07058	2.9
85.49096	1.8
91.05474	2.3
92.08706	3.5
93.07013	1.7
95.04948	2.1
95.08573	2.0
105.07039	3.2
107.08544	3.4
119.04931	2.8
121.10169	2.4
133.10126	2.9
138.02834	3.0
139.03665	9.8
150.65157	1.9
153.05182	1.7
157.08376	1.8
184.07317	1.9
211.05838	6.7
221.11491	3.7
223.13072	7.0
239.44000	1.9
251.12526	12.9
257.06277	2.0
267.12067	3.3
281.14056	2.0
307.15219	12.7
323.14627	3.3
326.82242	1.7
337.16153	7.8
366.16498	6.5
379.17194	13.8
449.25153	6.2
450.25806	2.3
551.28192	100.0
551.34973	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	551.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52440	2.6
55.05503	13.6
57.07051	6.5
57.07590	2.9
58.43160	2.9
67.05482	17.0
69.03392	4.8
69.07057	33.2
71.04977	6.1
71.42504	3.1
72.05270	3.0
79.05461	14.0
81.03384	4.0
81.07037	100.0
83.08611	8.2
85.02890	19.0
85.06506	12.8
91.05457	20.2
92.08614	6.8
93.07021	54.8
95.04952	3.9
95.08588	75.8
97.06487	6.2
97.10143	6.9
99.04443	5.4
105.07014	29.1
107.04884	3.9
107.08579	74.1
109.06480	7.9
109.10141	46.9
111.08089	3.8
119.08502	31.7
121.10120	62.4
123.08057	5.3
123.11666	31.5
125.05960	4.2
127.07526	14.1
131.08517	4.6
133.10095	26.2
135.07994	3.9
135.11667	62.0
137.13275	4.7
143.08540	3.8
145.10139	6.1
147.11684	35.7
149.09575	6.2
149.13199	18.5
151.11159	19.8
153.01825	4.3
153.05455	85.5
153.12790	6.0
159.11690	15.4
161.13191	8.4
163.11171	5.5
165.12685	4.6
167.10550	3.9
175.14738	15.0
177.12698	6.6
177.16341	8.4
181.12184	7.0
195.13588	3.6
203.17909	13.6
233.63947	3.6
244.40331	3.9
317.24719	42.3
335.25668	49.1
353.26602	35.8
480.72644	3.9
482.85495	3.5
543.04877	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	551.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.2
56.75274	0.2
66.19436	0.2
74.02413	0.3
82.71539	0.3
92.09382	0.3
101.55746	0.2
103.05447	0.3
105.06981	0.3
106.06536	1.0
109.05386	0.3
109.98270	0.2
115.05430	1.4
117.05679	0.4
130.06506	2.5
131.04947	0.5
132.04420	1.3
132.08047	3.1
133.05270	0.4
134.05983	24.6
142.06473	0.4
146.05939	1.8
147.06732	0.3
148.07524	3.9
157.07597	2.6
158.05978	9.0
159.06738	3.4
160.03925	0.6
160.07539	16.4
162.05463	77.8
175.08633	7.0
176.07028	0.3
186.05455	8.2
203.08098	2.3
204.06519	100.0
221.09164	28.8
221.10870	0.4
272.32260	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.4464
Annotation	Unknow
Peak:m/z	Relative Intensity
51.95677	0.9
54.00603	0.9
54.33937	1.1
54.81470	0.9
55.05503	2.5
57.07069	13.2
58.06590	1.0
62.40055	1.1
67.05506	1.9
69.07059	1.3
70.06577	17.6
71.08617	1.7
79.05499	1.3
81.07044	2.7
85.96435	1.0
88.07612	22.3
91.05463	1.6
93.07030	2.0
95.08563	1.5
99.04446	4.6
102.09151	16.8
105.07040	1.8
107.08558	2.4
119.08580	2.0
121.10087	1.7
135.11726	1.4
147.94685	1.0
159.11740	2.0
161.09616	6.2
203.10703	5.4
217.15892	1.8
219.17332	8.1
254.24910	1.5
256.26291	100.0
259.16965	10.4
303.19650	2.0
476.37280	1.4
532.43610	21.2
550.45093	20.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	551.103
Annotation	Quercetin 3-(6''-malonylglucoside)
Peak:m/z	Relative Intensity
51.58819	0.2
51.63831	0.2
52.54109	0.2
53.03938	2.8
55.01871	2.6
57.03432	2.1
59.04971	0.2
61.02914	1.9
68.99763	1.6
69.03413	9.2
71.01293	0.3
71.04962	1.4
73.02895	2.0
81.03398	12.0
81.07018	0.3
83.68775	0.3
84.08087	0.4
85.02887	13.6
87.00812	6.5
91.03951	1.0
95.04910	0.4
97.02873	5.5
99.04431	2.9
105.01863	2.8
105.06998	0.3
107.08586	0.4
109.02860	7.3
111.00775	1.3
117.01849	1.4
121.02827	1.4
121.10126	0.4
123.04394	0.6
127.03891	8.0
129.01807	0.5
131.08522	0.4
133.10022	0.4
135.04424	0.4
137.02318	4.6
137.05966	0.4
145.04916	1.7
153.01791	6.3
157.06441	0.4
159.02843	3.8
161.06039	0.3
163.03883	0.9
165.01791	2.7
173.05933	0.3
181.06369	0.4
183.02843	1.3
183.04314	0.3
187.03859	0.3
201.05447	2.6
227.07027	1.8
229.04930	6.2
231.04919	1.0
247.05952	1.2
251.06635	0.3
257.04404	3.6
274.04620	1.2
285.03876	1.9
303.04929	100.0
304.05237	1.1
331.71832	0.2
346.74686	0.3
390.52417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.01847	1.0
55.05501	9.0
57.03407	1.8
57.07060	1.4
59.04958	1.0
60.08128	4.6
60.20813	0.6
61.02891	1.1
63.29696	0.6
67.05484	35.2
69.03398	3.8
69.07043	12.0
71.04961	4.2
79.05453	8.4
81.03381	3.2
81.07029	74.6
83.04964	6.8
83.08608	7.6
85.02872	8.3
85.06507	4.9
86.09677	11.9
91.05457	8.3
92.63262	0.8
93.07011	17.2
95.04937	5.2
95.08575	21.2
95.71712	0.7
97.02858	1.3
97.06483	1.7
97.10128	3.7
99.04414	1.6
99.08054	3.0
104.10719	10.9
105.07001	32.9
107.04967	0.8
107.07861	1.1
107.08563	23.4
109.06475	12.1
109.10129	100.0
111.08047	3.5
111.11691	0.8
113.05992	1.2
117.07011	1.0
119.08541	19.2
121.06411	1.1
121.10106	11.9
123.08028	8.7
123.11668	51.6
124.99953	11.2
125.09585	3.1
127.07492	7.3
127.11170	1.7
131.08502	2.8
133.10091	14.1
135.11670	8.7
137.05852	1.0
137.09541	4.9
137.13211	4.5
141.12732	2.8
143.08478	1.7
145.10103	5.4
147.11656	44.1
149.09569	3.3
149.13235	13.8
151.07472	1.2
151.11151	14.9
157.10043	3.0
159.11656	4.6
161.13213	32.7
163.14780	3.2
165.12669	16.2
169.12166	1.5
171.11624	4.0
173.13156	1.1
175.11154	1.4
177.12717	3.0
179.14227	6.8
184.07292	24.2
187.13190	3.5
189.12717	5.8
189.16336	1.7
193.12170	21.5
205.15717	0.8
207.13760	16.4
207.17361	1.7
208.61325	0.9
209.15247	1.1
209.47073	0.8
229.14276	7.3
235.16673	0.8
243.15736	8.1
281.22449	1.1
299.23590	4.5
317.24667	11.8
321.63544	0.8
335.25687	84.3
336.25967	1.1
353.26773	63.2
371.27829	1.3
550.31885	4.5
551.34808	1.3
563.46796	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	3.7
55.59885	0.5
55.66144	0.5
57.03420	1.1
57.07068	1.3
58.64029	0.4
60.08158	7.9
67.05495	8.3
69.03414	1.3
69.07052	13.6
71.04976	2.7
71.07359	3.8
76.56830	0.6
79.05479	5.6
81.03384	1.2
81.07037	36.7
83.04967	2.6
83.08612	2.9
85.02897	6.0
85.06518	4.9
86.09692	46.9
91.05463	4.0
92.08634	1.7
93.07019	14.6
95.04942	5.3
95.08586	24.5
95.59441	0.6
96.53930	0.5
97.02855	1.3
97.06515	3.1
98.98441	3.1
99.04432	7.4
104.10717	5.3
105.07012	10.9
107.08577	21.1
109.06506	6.7
109.10144	12.2
111.08050	2.3
117.05480	0.7
117.06979	0.8
119.08562	8.2
121.10125	13.5
123.08050	7.7
123.11683	19.2
124.99060	1.3
124.99980	30.7
127.03957	0.9
127.07526	6.5
131.08566	3.4
133.10109	12.3
135.08035	2.9
135.11670	14.2
137.09566	0.9
137.13229	4.1
139.03912	0.7
143.08578	1.2
145.10120	3.7
147.11662	11.8
149.09657	2.6
149.13246	4.2
151.11156	24.4
151.12172	0.9
153.09099	1.9
153.12689	0.8
157.10121	1.3
159.11670	7.8
161.13251	2.9
163.11183	3.6
163.14842	1.1
165.12688	3.7
171.11681	0.8
173.13200	1.3
175.11169	3.4
175.14847	0.7
177.12746	3.3
179.10640	5.9
181.12149	0.8
183.13794	1.1
184.07301	100.0
187.14877	1.2
189.12738	0.8
193.12256	0.7
195.13646	0.7
199.14824	0.9
201.16339	0.7
207.13805	2.2
215.51541	0.5
215.91820	0.6
235.16869	0.7
237.18491	1.0
251.19936	0.6
273.24466	0.6
281.22733	0.7
299.23706	1.4
307.26538	0.6
317.24713	14.0
335.25732	56.6
336.26324	0.9
353.26797	44.3
459.46167	0.6
532.29669	1.1
541.10626	0.7
550.31213	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	550.3222
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23595	3.0
50.77136	4.0
55.05502	15.7
67.05481	22.2
69.03409	7.2
69.07047	7.0
71.04975	23.5
78.81783	3.4
78.88823	4.4
79.05471	15.8
81.07034	54.0
83.04947	8.4
83.08597	3.7
85.02888	16.2
85.06518	4.5
91.05460	10.0
92.08673	7.8
93.07024	47.1
95.04935	17.1
95.08593	30.9
96.40097	4.3
97.02854	5.9
97.06499	5.3
105.07013	36.1
107.08575	48.8
109.06503	9.1
109.10131	43.9
117.07031	8.0
119.08583	31.4
121.06484	9.1
121.10098	30.2
121.49560	4.8
123.08031	14.7
125.09563	9.6
127.07536	5.0
127.11142	4.9
129.06982	5.3
131.08517	18.2
133.10126	26.0
135.07997	23.5
135.11696	7.2
137.09592	100.0
139.03894	6.4
139.11142	7.4
142.07753	5.2
143.08543	16.2
145.10062	34.4
147.08002	5.2
147.11717	17.3
149.09590	9.7
153.09091	4.1
157.10121	17.7
159.08017	5.0
159.11659	21.5
161.09521	17.5
165.09050	17.3
169.10094	7.5
171.08046	5.7
171.11719	7.9
173.09624	9.2
173.13248	5.6
175.11105	8.9
185.09625	4.9
185.13194	22.1
187.14832	8.9
189.12692	5.4
191.06998	5.6
191.14325	5.6
195.11632	6.1
196.67938	4.1
199.14726	9.2
201.16513	6.3
211.14871	8.9
213.12718	32.0
219.13889	4.8
229.15918	5.6
231.13806	27.4
247.16898	5.9
271.20401	9.1
299.20059	41.1
317.20984	52.5
335.22110	52.0
353.23254	5.8
357.52618	4.7
444.66962	4.1
542.05469	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	548.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	21.4
57.03418	13.9
57.07064	3.9
57.39033	2.1
61.02894	6.1
61.38226	2.2
67.05486	50.7
69.03403	3.5
69.07049	26.7
71.04954	2.7
79.05469	77.0
81.03351	2.6
81.07035	54.4
83.04960	5.4
83.08582	10.5
85.02885	6.3
85.06543	3.4
91.03904	4.5
91.05449	70.6
92.81814	2.5
93.07018	95.2
95.04940	12.5
95.08582	39.8
96.43046	2.3
97.06519	3.7
105.07005	72.5
107.08577	55.1
109.06454	9.1
109.10131	16.5
112.39583	2.4
117.06985	22.7
119.08553	54.7
121.10105	44.0
122.32646	2.7
126.67506	2.8
129.06998	9.1
131.08530	26.4
133.10127	48.1
135.11638	27.8
143.08534	13.9
145.09065	2.5
145.10051	22.4
147.11635	40.9
149.13255	18.2
157.10095	12.4
159.10497	2.5
159.11591	21.2
161.13188	26.1
163.11182	2.8
163.14754	4.2
171.11667	11.2
173.13248	13.1
175.14793	5.6
181.95839	2.6
185.13229	14.0
199.14786	4.8
213.16431	3.7
231.21068	3.5
241.19482	21.0
259.20480	63.5
277.21490	5.6
333.24066	5.8
339.17096	2.8
351.25235	100.0
441.26028	6.0
495.29663	4.2
548.31470	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	550.1767
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96558	1.2
66.16984	1.0
68.54841	1.0
69.03423	1.7
70.01127	0.9
74.46556	1.0
80.39439	0.9
85.02900	5.8
91.05410	1.2
97.02895	4.7
111.04462	1.8
117.03370	9.1
117.08267	1.1
119.04954	4.6
125.05975	10.8
127.03895	1.2
131.04839	1.5
135.04399	1.3
137.05991	4.7
145.02824	49.4
146.03618	2.2
147.04414	13.5
149.05957	9.1
153.05443	36.4
159.04364	5.1
161.05972	7.9
163.03946	10.2
175.07538	2.6
177.05424	88.5
187.03944	5.4
189.05461	2.6
191.03413	5.3
191.06949	4.2
195.06546	10.6
198.01678	1.3
200.33743	1.3
201.05414	1.7
202.02599	2.8
203.07076	3.9
205.05013	1.6
209.04352	1.4
215.03336	5.7
217.04918	100.0
219.06458	11.4
227.06981	1.4
229.04921	16.5
233.04333	4.5
235.05989	1.4
243.06508	2.0
245.04416	15.3
247.06013	14.1
271.01407	1.2
275.05472	11.1
289.07092	1.6
293.06516	20.6
305.06519	13.7
317.06747	2.0
335.07477	12.7
353.08603	41.4
391.02054	1.1
395.11539	1.2
578.44305	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	550.3134
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73222	0.3
56.05015	0.5
57.03417	0.5
58.06572	0.8
60.07864	0.6
60.08152	14.0
64.33305	0.5
67.05483	2.3
67.09615	0.4
68.45507	0.4
69.07059	0.9
71.04955	0.4
71.07345	5.8
75.69694	0.4
76.56261	0.4
79.05437	1.8
81.03384	0.5
81.07040	3.3
81.10870	0.4
83.04964	1.1
86.09686	54.2
91.05447	2.2
93.06987	2.1
95.04906	0.5
95.08595	1.0
97.06495	0.6
98.98441	3.9
99.56853	0.4
104.10721	36.3
105.06989	2.9
107.04990	0.6
107.08573	0.6
109.10085	0.6
112.29514	0.4
115.31847	0.4
119.08529	1.0
121.10178	0.6
123.08000	0.8
123.11633	0.5
124.99973	33.7
159.07953	0.4
173.13054	0.4
174.02519	0.5
184.07298	100.0
452.23911	1.1
509.59244	0.6
532.30359	3.3
549.33356	0.7
550.31128	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	548.2981
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08716	0.3
50.86646	0.3
53.35739	0.4
55.05504	0.4
57.91298	0.3
60.07912	0.5
60.08157	9.0
67.05484	2.5
69.07061	0.8
71.07357	4.6
75.76885	0.4
76.97964	0.4
79.05461	1.8
81.03369	0.5
81.07034	3.0
83.04956	0.6
85.02879	0.4
86.09690	48.7
91.05454	2.0
93.07019	0.9
95.04954	0.7
95.08595	0.8
97.06529	0.4
97.71248	0.4
98.98448	3.8
104.10723	5.3
105.06998	1.7
107.04994	0.7
107.08573	0.8
109.06400	0.5
109.10114	0.6
119.08554	0.7
121.10149	0.6
123.08054	0.4
124.99979	35.5
133.10167	0.6
137.18698	0.5
143.01022	0.4
184.07304	100.0
205.26814	0.4
285.16721	0.9
440.30685	0.5
519.74103	0.4
530.28613	0.7
547.32336	0.5
548.29712	8.7
551.37457	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	548.3427
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.8
55.05511	31.3
55.28263	3.0
57.03429	15.1
59.48038	3.0
60.09441	2.5
61.02913	3.6
61.91992	3.2
67.05486	71.2
69.07050	28.7
69.68311	3.0
71.08622	5.1
73.31488	2.7
79.05477	56.2
81.03400	4.1
81.07038	74.4
83.04932	4.1
83.08601	20.2
85.02889	5.3
91.03957	3.2
91.05466	45.8
93.07024	67.4
95.04942	7.1
95.08575	36.5
97.02876	5.7
97.06519	15.7
97.10157	6.5
105.07021	47.7
107.08589	46.8
109.10121	22.5
111.08075	4.0
117.07021	17.4
119.08549	37.2
121.10137	24.6
123.11746	3.7
125.09673	4.7
129.07018	3.9
131.08545	20.1
133.10103	27.7
135.11653	17.4
143.08502	3.6
145.10115	19.2
147.11678	23.4
149.09619	3.9
149.13287	6.7
151.11108	3.8
159.11679	12.5
161.13257	7.1
171.11699	6.2
173.13274	4.6
179.14241	5.4
185.13145	4.7
187.14836	4.6
211.20607	3.0
229.14400	6.8
241.19435	6.4
242.08556	3.6
259.20554	19.6
277.21594	20.4
351.25217	100.0
351.29105	5.5
481.83832	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	547.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	2.0
55.01861	12.1
55.05503	40.9
57.03436	10.6
57.07071	1.1
61.02906	0.9
65.03919	1.2
67.05489	38.2
69.03401	4.1
69.07053	22.1
71.04961	6.4
75.24554	0.9
75.65859	1.0
76.56698	1.3
79.05474	39.6
81.03395	7.4
81.07035	34.8
83.04961	17.7
83.08600	26.2
85.02879	10.4
85.06532	1.3
91.03928	1.3
91.05455	25.5
93.07021	39.2
95.04948	76.9
95.08575	25.3
97.02847	1.5
97.06514	8.3
97.10138	11.4
99.04433	6.1
105.07005	30.4
107.04936	11.4
107.08571	34.7
109.06503	10.1
109.10140	12.5
111.04425	18.4
111.08030	7.6
117.07016	11.8
119.08553	23.0
119.29053	1.0
121.06483	9.9
121.10109	18.8
123.08019	7.7
123.11678	1.8
124.57256	0.9
125.05955	1.4
125.09634	9.8
127.44850	1.0
129.06981	5.3
131.08546	15.8
133.06482	1.4
133.10106	15.1
135.08026	6.5
135.11674	9.1
137.09587	2.5
139.07446	1.0
139.11125	2.4
141.06985	1.0
143.08514	4.1
145.10106	21.8
147.08006	4.6
147.11667	8.3
149.09596	31.8
149.13278	1.8
151.11166	1.5
153.12700	1.8
155.08568	1.3
157.10045	1.2
159.11668	12.3
161.09557	2.2
161.13275	2.2
163.11143	27.8
169.10056	1.4
171.11583	1.7
173.09581	1.8
173.13249	2.5
175.11122	1.3
177.12666	2.1
181.12201	2.3
189.11159	7.9
193.12259	1.4
197.13225	1.7
205.12213	5.0
223.13257	31.3
229.19583	1.6
231.07263	1.0
247.20335	1.7
257.18912	6.2
275.19983	39.6
293.21075	23.4
320.15247	1.2
349.23581	7.6
367.24713	100.0
529.30066	1.8
545.43756	1.2
547.31934	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	546.3994
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.1
55.01863	1.6
55.05500	13.6
56.73741	1.1
57.03428	2.2
57.07066	2.6
59.06911	1.0
67.05489	40.8
69.03411	5.0
69.07053	30.7
70.72219	1.1
71.04971	6.3
76.03509	1.3
77.03870	1.2
79.05472	22.0
81.07037	100.0
83.04955	7.0
83.08583	9.9
85.02895	5.3
85.06537	7.1
91.05464	16.7
91.34027	1.1
92.64391	1.1
93.07019	53.1
94.33533	1.1
95.04944	9.1
95.08582	61.8
97.06503	7.3
97.10137	2.4
99.04459	2.1
105.07008	33.1
107.04923	2.5
107.08576	55.3
108.08908	1.1
109.06499	13.5
109.10139	62.9
111.04446	1.4
111.08059	6.4
117.06990	1.8
119.08563	27.7
121.06489	12.1
121.10120	36.8
123.08045	63.2
123.11679	34.6
125.05974	6.1
125.09610	4.7
127.07480	1.7
131.04874	1.4
131.08516	7.6
133.06470	1.6
133.10118	26.9
135.08049	20.1
135.11665	24.2
136.08806	9.2
137.05965	4.9
137.09583	15.5
137.13225	8.8
139.07507	16.3
141.09103	1.7
143.08575	2.9
145.10110	10.6
147.08051	5.0
147.11652	21.0
149.05962	2.2
149.09601	32.7
149.13249	15.5
151.07512	11.2
151.11111	9.8
153.05519	1.9
153.09091	2.3
153.12715	1.4
156.09326	2.2
157.10136	8.1
159.08009	2.3
159.11659	19.5
161.09581	15.9
161.13278	8.7
163.07541	1.5
163.11110	9.2
163.14742	2.6
165.09067	11.1
165.12714	6.6
171.11688	6.2
173.09550	2.6
173.13217	7.6
174.10338	1.6
175.07559	1.5
175.11157	10.0
175.14819	5.3
176.11845	1.9
177.09052	16.5
177.12677	8.8
177.16325	1.8
179.10649	15.7
183.11656	2.6
185.13243	1.8
187.11156	2.8
187.14763	4.3
189.12714	7.5
189.16443	1.4
191.10670	2.5
191.14275	2.7
193.12210	18.3
195.10150	6.2
195.13765	2.5
197.13177	2.3
199.14801	1.5
201.12761	1.6
201.16293	1.3
203.14302	2.5
203.17964	2.3
205.12184	2.5
207.11485	1.3
211.14803	1.7
215.14336	1.5
217.12132	1.3
221.11757	6.8
223.13123	2.0
227.14345	2.2
239.12747	4.5
259.20566	1.6
269.19177	1.6
273.18314	1.6
285.18304	1.2
287.19962	6.1
301.25159	2.3
305.21063	7.1
317.24704	10.9
323.21991	8.9
335.25638	15.3
353.26715	6.6
397.30905	1.7
406.73682	1.3
411.32501	7.2
415.31888	2.3
421.30811	4.3
429.33594	45.0
433.33005	4.0
439.32010	18.8
457.33014	49.7
475.27155	2.1
475.34073	52.5
493.35168	27.3
511.35651	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.1
55.05500	16.6
57.03411	8.6
57.07069	3.8
61.02911	2.2
67.05492	34.1
69.03409	9.1
69.06781	1.5
69.07058	28.0
71.04978	21.3
79.05478	29.5
81.03387	7.3
81.07040	76.7
83.04960	6.9
83.08579	9.3
85.02888	30.9
85.06521	3.8
91.05470	16.7
92.08675	3.4
93.07027	40.6
95.04931	11.5
95.08585	45.2
97.02861	3.6
97.06513	13.3
99.04451	2.0
105.07010	29.1
107.04909	14.4
107.08574	31.1
109.06491	10.8
109.10141	38.8
110.10413	2.1
111.08018	3.9
117.06972	2.1
119.08553	26.2
121.06444	9.5
121.10120	28.9
123.04388	12.3
123.08048	42.3
123.11691	35.2
125.05965	3.5
125.09598	2.3
127.03953	2.7
127.07527	2.2
130.07684	2.3
131.04927	2.0
131.08508	13.1
133.06448	3.8
133.10092	17.1
135.04399	2.3
135.08029	16.2
135.11621	16.0
136.08852	6.6
137.05931	11.2
137.09592	13.9
137.13237	7.2
139.03899	2.1
139.07507	11.8
142.07718	1.8
143.08556	3.2
145.06471	2.3
145.10063	13.3
147.04405	7.2
147.08044	3.6
147.11646	14.3
149.05936	3.7
149.09599	32.9
149.13234	11.9
151.03891	3.9
151.07512	9.8
151.11168	8.3
153.01802	3.5
153.05431	12.0
153.06764	2.2
154.07796	2.3
155.07443	2.3
155.08560	12.0
157.10083	7.3
159.07991	2.8
159.11653	15.4
160.25917	1.8
161.09557	10.2
161.13258	8.0
163.03926	3.7
163.11127	7.1
165.05415	14.0
165.09183	3.7
165.12715	3.1
167.03354	31.2
173.09535	4.1
173.13208	4.1
175.11153	10.3
177.05440	2.6
177.09099	11.4
177.12698	4.2
178.12247	7.7
179.10661	4.2
183.07985	2.2
185.13214	1.7
189.12755	2.8
189.16246	1.9
189.93993	2.1
191.10555	3.1
193.12213	9.9
195.10172	2.9
201.09076	100.0
203.14340	2.3
203.17892	2.3
205.12187	2.1
215.14291	2.4
219.10127	37.8
221.11720	3.0
227.14305	1.9
239.10556	6.6
297.07602	2.6
305.21112	2.8
335.25677	4.0
349.14224	31.4
367.15405	18.9
385.06973	1.8
397.60864	2.0
400.11050	2.4
411.32541	2.6
421.30804	2.0
427.15216	2.2
429.33499	53.9
439.31985	10.6
447.34677	2.5
457.32962	27.5
475.34128	34.5
493.35120	16.8
511.36316	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.1
53.03946	0.2
53.98259	0.1
55.05507	1.8
57.03434	1.4
57.07064	0.3
59.04953	0.2
67.05491	3.8
69.03413	0.2
69.06671	0.1
69.07053	7.2
71.04974	12.2
73.02899	0.2
75.04467	0.3
79.05476	3.8
80.20123	0.1
81.07038	24.4
83.04976	1.1
83.08605	0.7
85.02888	11.8
85.10149	0.2
87.04379	0.2
91.05460	8.6
93.07024	5.9
95.04964	0.6
95.08582	7.0
95.72853	0.2
97.10116	0.3
103.05441	0.7
104.01942	0.1
104.06262	0.2
105.07014	71.7
106.07341	0.1
107.04933	0.2
107.08578	6.1
109.09382	0.3
109.10137	7.1
111.11735	0.3
117.06996	3.3
119.08562	100.0
120.08897	0.8
121.10121	6.0
123.11678	1.9
127.03902	0.2
129.05469	3.3
131.08545	0.6
133.10109	13.3
135.11679	0.8
145.10106	0.8
146.08084	0.2
146.10895	0.7
147.06485	1.2
147.11665	16.6
159.11592	0.3
160.12450	1.2
161.13228	2.8
164.09123	1.3
175.14845	1.1
189.26169	0.1
203.17924	30.9
204.18271	0.3
251.76154	0.2
390.60291	0.1
533.92261	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.0
53.03936	5.6
55.01864	24.6
55.02113	1.6
55.05503	50.4
57.03425	49.0
57.07066	2.1
57.93225	1.0
59.04986	2.6
65.03918	2.7
67.05490	66.1
69.03410	11.9
69.07051	19.5
70.04185	1.2
71.04974	7.9
73.02892	9.5
79.05473	58.5
81.03394	100.0
81.07037	62.6
82.04179	6.9
83.04960	40.9
83.08600	36.5
85.02885	37.8
85.06532	4.6
86.84464	1.1
91.05454	66.6
93.07021	45.1
95.04942	51.6
95.08585	23.4
97.02872	7.2
97.06499	15.1
97.10145	20.3
98.07292	7.1
101.05981	1.1
101.83389	1.1
103.03921	1.1
105.07014	46.4
105.59344	1.1
107.04943	18.8
107.08582	23.2
109.06509	13.2
109.10153	10.6
111.04416	4.9
111.08070	12.9
111.23643	1.1
113.05991	4.3
116.04683	24.5
117.06992	6.5
119.08546	35.0
121.06483	6.3
121.10125	19.9
123.08045	12.4
123.11671	1.4
125.09602	19.0
127.11172	1.3
127.60072	1.3
129.05455	56.1
129.06926	21.3
131.08536	22.2
133.06468	2.4
133.10095	20.4
135.08014	2.4
135.11673	6.5
137.05888	1.4
137.09579	6.1
142.07751	4.6
143.07030	10.9
145.10129	7.7
147.08026	6.4
147.11652	23.9
149.09549	9.3
152.17767	1.1
157.08578	24.8
157.10112	22.7
163.11147	4.8
165.12737	4.5
171.06522	1.8
171.10147	4.8
173.09610	1.2
175.11122	20.6
185.11684	1.6
189.11176	7.9
193.12207	60.2
199.13298	6.1
200.13994	2.5
207.13457	1.2
209.11667	4.3
211.13246	53.6
227.12767	14.6
250.73633	1.2
255.15744	1.6
267.15848	16.1
283.15442	4.9
285.16888	53.6
301.12991	2.2
301.16382	63.3
350.14655	1.1
374.86301	1.3
420.51767	1.4
439.26926	2.1
459.26959	2.3
477.28082	1.7
493.27982	9.3
494.28543	1.9
511.28876	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	546.3274
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05511	13.5
57.03437	15.4
57.07057	1.8
60.77839	1.3
61.02907	2.2
67.05491	20.6
67.55805	1.3
69.03402	2.1
69.07053	25.7
71.04977	78.6
79.05468	17.1
81.03415	2.2
81.07049	26.3
83.04966	3.0
83.08609	3.3
85.02891	90.2
87.04497	2.4
88.77596	1.4
91.05470	25.3
91.07503	1.4
92.04961	1.4
93.07020	33.6
95.08588	33.2
97.02859	3.1
97.06499	10.0
97.51929	1.5
102.21004	1.4
105.07012	43.3
107.04940	3.1
107.08578	34.5
107.09302	2.5
108.59818	1.4
109.06501	2.7
109.10144	70.9
111.04369	1.7
111.90666	1.4
117.06984	2.4
119.08564	28.2
121.10145	19.1
123.04407	9.5
123.07908	1.3
123.11720	10.8
129.05453	19.1
131.08528	2.3
133.10103	41.1
135.08058	2.2
135.11714	2.4
145.10120	3.3
146.08046	2.4
147.06485	9.2
147.11673	100.0
157.10048	1.4
159.11687	1.8
161.13220	11.4
164.09155	7.1
168.61597	1.8
170.97937	1.5
172.67436	1.7
173.13148	1.9
175.11067	1.6
175.14677	1.7
203.17929	97.0
219.10150	12.8
275.20065	3.8
291.19287	1.8
334.10898	1.6
349.23663	13.1
367.15094	6.9
367.24954	2.2
457.58902	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14230	0.9
53.03930	1.9
53.57302	0.8
55.05507	18.1
55.05764	1.4
57.03435	9.3
57.07059	4.1
65.03904	1.7
67.05494	86.5
68.05818	1.1
69.03424	2.0
69.07056	17.7
71.04972	1.3
73.02879	1.2
76.49509	0.9
78.27447	0.9
79.05476	57.9
81.03407	0.9
81.07041	100.0
83.04966	2.0
83.08612	7.9
83.46078	0.9
85.02892	7.9
85.06530	2.4
87.69120	0.9
91.05460	27.1
91.05993	1.4
92.09169	1.3
93.06407	1.4
93.07024	70.3
95.01286	7.3
95.04942	6.8
95.08585	78.6
97.06512	4.9
97.10152	5.0
99.08066	2.1
105.07011	25.1
107.08579	43.8
109.06502	2.4
109.10144	30.6
111.08068	2.2
113.02366	1.4
117.07011	11.5
119.08559	23.8
119.49277	1.0
121.10123	38.5
121.18604	0.9
123.08049	2.0
123.11687	11.0
125.09641	1.6
129.07069	1.7
131.03357	1.3
131.08551	24.9
133.10094	19.4
135.11659	23.9
137.09570	1.7
137.13248	3.9
141.01842	9.5
145.10095	18.5
147.11655	9.6
149.13228	16.2
151.11279	1.6
155.76834	1.1
157.10088	2.2
159.11671	16.4
161.13245	8.6
163.11116	1.0
163.14822	11.8
165.12793	1.9
173.13222	13.8
175.14781	3.9
177.16370	4.8
179.14342	1.4
187.14778	6.0
201.16368	3.8
213.25278	1.1
233.22533	3.8
241.25659	1.1
243.21045	19.6
261.22086	58.0
279.23154	1.9
335.25699	18.3
353.26819	21.7
378.21088	1.1
403.64453	1.0
452.44711	1.3
511.29111	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	546.3182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67231	1.0
55.01852	1.3
55.05497	8.2
57.03417	6.2
57.07061	2.1
67.05499	15.9
69.07059	13.4
71.04964	1.4
71.08611	7.3
79.05469	7.9
81.07041	25.1
83.04964	2.3
83.08614	3.9
91.05479	7.4
92.08741	1.3
93.07008	16.1
95.04960	2.4
95.08580	18.9
97.06497	4.4
97.10129	1.0
98.98459	5.4
99.08070	2.1
105.07011	14.3
107.08585	15.3
109.06498	11.9
109.10127	6.8
111.08049	1.2
117.07003	2.2
119.08566	16.8
121.10116	11.3
123.08051	25.2
123.11678	2.3
125.09608	1.6
131.08519	6.1
133.10107	16.0
135.08025	14.0
135.11617	2.1
137.09572	1.9
143.08539	2.4
145.10133	7.6
147.11693	8.2
149.09595	2.0
149.13264	4.2
157.10106	5.8
159.11613	4.7
161.09505	1.6
161.13191	1.6
163.11078	1.3
169.05963	1.0
171.11537	1.0
173.13287	2.4
175.14755	5.3
177.12697	5.9
179.14278	29.1
185.13206	1.5
191.14290	1.3
193.15898	1.4
205.15816	1.5
243.77159	1.2
261.22171	1.4
263.20016	2.0
289.21695	3.6
293.20923	1.1
303.26736	1.5
331.26245	19.5
349.27280	6.3
375.28632	1.5
387.28775	5.3
405.29926	100.0
503.27328	2.1
546.31683	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	546.3271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92232	0.9
52.61179	0.7
53.03941	3.8
55.01857	6.8
55.05505	8.5
55.06971	0.8
57.03411	1.9
59.09439	0.8
61.02915	1.6
67.05487	21.4
69.06714	1.1
69.07055	19.4
73.85868	0.9
76.20700	1.0
79.05477	18.3
81.03392	9.8
81.07033	35.0
83.04958	7.7
83.08595	4.9
85.02865	3.6
91.05454	28.6
91.47527	0.9
93.07024	25.1
95.01289	6.0
95.04945	7.7
95.08583	17.9
97.06493	13.2
97.10147	1.6
100.67257	1.2
105.06294	1.7
105.07005	46.7
107.04922	12.8
107.08562	13.7
109.06477	6.1
109.10134	2.0
111.08073	1.5
117.06989	8.4
119.08547	27.2
121.06461	4.6
121.10128	4.8
123.08021	6.9
129.07014	1.2
131.08504	12.1
131.98300	1.0
133.10091	23.8
135.08063	1.4
135.11644	4.9
137.09624	1.8
141.06987	1.2
143.08452	1.8
145.06485	1.4
145.10115	10.2
147.11682	7.9
149.09578	4.2
157.10078	1.3
159.11659	6.5
161.13223	2.0
163.11177	2.0
169.10110	1.9
171.11737	1.0
173.13275	1.2
175.14685	1.0
177.12679	1.3
179.14299	6.6
183.11705	1.2
187.11101	1.4
197.13052	1.1
205.12202	1.2
229.19440	1.2
257.18887	1.3
275.20007	28.2
349.23654	100.0
511.28937	1.7
524.70740	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.6
55.05504	18.2
56.83119	2.7
67.05499	60.0
69.07053	18.2
71.39183	3.3
79.05476	49.0
81.07040	100.0
83.08622	6.7
83.91960	3.2
91.05467	33.0
93.07035	38.9
95.04953	5.9
95.08589	38.4
99.89333	3.4
105.07010	36.3
107.08584	25.4
109.10131	13.4
117.06999	5.3
119.08556	29.8
119.11006	3.0
121.10130	19.3
123.11690	16.0
131.08551	15.2
133.10100	17.7
135.11716	4.8
145.10051	4.7
147.11678	24.4
157.10088	4.7
159.11694	4.5
165.01852	3.2
165.12698	6.2
185.13150	5.1
221.73238	3.5
261.21906	5.3
267.15906	19.1
302.32077	3.3
403.40280	4.0
534.96729	4.0
545.38312	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.4181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.87931	2.1
55.05495	4.8
57.07064	2.2
63.97650	2.3
67.05486	10.2
69.07034	10.0
79.05460	5.3
81.07031	32.1
82.07368	4.1
83.85992	2.6
93.07023	11.1
95.08589	21.7
96.08907	3.3
104.96872	2.4
105.07011	6.2
106.07304	3.1
107.08575	15.4
107.90398	2.4
109.10123	9.3
117.03708	2.6
119.08546	6.0
121.10091	10.1
133.10063	11.4
135.11661	3.0
151.59679	2.4
159.11676	3.8
216.96542	2.7
221.99826	2.2
251.12390	3.1
395.15079	2.6
458.95123	3.1
545.41754	100.0
545.49939	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	545.4714
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86963	8.9
55.05508	16.7
56.66177	9.9
60.29290	10.2
67.05489	28.9
69.07030	14.9
71.04987	15.5
79.05463	21.3
81.07055	87.1
91.05479	18.8
92.08642	24.2
93.07025	74.9
95.08587	100.0
105.07018	64.0
107.08599	60.6
109.10126	46.3
109.35694	12.1
111.08099	14.5
118.00451	12.5
119.08568	83.0
121.10126	66.2
135.11642	23.7
145.10078	16.9
147.11699	24.5
149.13272	19.1
153.57416	12.4
159.11732	27.4
161.13164	13.4
163.14774	12.6
173.13205	13.7
175.14706	14.8
201.16270	15.4
359.31250	13.9
440.40289	12.4
545.47278	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.3832
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	1.9
53.03932	6.9
54.81933	1.0
55.01855	4.8
55.05267	1.6
55.05505	36.8
57.03428	14.7
57.07056	1.1
61.47356	1.0
65.03921	2.1
65.45618	1.2
66.58469	1.1
67.05491	72.1
69.03413	4.8
69.07054	22.0
71.04966	7.2
79.05473	70.9
81.03396	51.9
81.07033	75.6
83.04960	12.7
83.08597	16.9
85.02885	24.4
85.06520	1.7
88.18700	1.0
89.56814	1.2
90.24574	1.0
91.05453	60.1
93.07018	66.8
95.04948	31.4
95.08003	2.0
95.08581	41.0
97.02911	1.7
97.06510	7.2
97.10134	6.3
99.08069	1.9
103.05419	1.2
105.04483	1.8
105.07010	42.6
107.04942	6.3
107.08567	30.0
109.06511	6.3
109.10130	13.0
111.08073	4.7
112.39710	1.1
113.05955	1.2
115.05455	1.6
117.07001	9.3
119.08552	35.2
120.10602	1.0
121.06497	2.2
121.10104	22.8
123.08052	2.4
123.11678	5.5
125.09589	4.1
129.06955	12.3
130.07762	1.4
131.08524	19.8
133.10110	16.4
135.11665	8.9
137.09587	1.7
142.07776	1.8
143.08537	2.3
145.10103	13.6
147.08028	1.9
147.11667	15.4
149.09595	4.5
149.13228	5.2
155.08542	1.7
157.10117	12.3
159.11682	6.2
161.13242	4.4
169.10110	1.3
171.11682	2.2
173.13213	4.2
175.11183	8.2
175.14854	1.0
185.13243	2.6
187.14763	1.7
193.12199	18.8
209.13292	1.3
211.13255	22.4
223.68246	1.1
248.19839	1.2
261.22116	2.6
267.15775	9.8
335.25812	7.4
453.33365	2.0
527.37195	14.3
545.38269	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2956
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02281	1.7
51.80647	2.2
53.03934	10.5
53.37133	1.7
55.01859	18.1
55.05503	46.0
57.03422	18.9
57.07061	2.3
61.02907	37.0
65.03932	3.3
66.51554	2.2
67.05487	53.8
69.03421	27.0
69.07047	34.2
70.06582	11.2
71.01334	3.2
71.04975	16.7
73.02906	19.3
79.05475	56.9
81.03412	21.3
81.07036	100.0
83.04963	24.0
83.08603	18.0
85.02892	40.0
85.06533	4.6
91.03934	10.5
91.05462	34.0
93.07021	64.2
95.04946	25.8
95.08595	39.6
95.24334	2.5
97.02880	30.9
97.06514	22.6
97.10155	20.0
99.04419	5.8
99.08086	4.2
99.66623	2.5
101.02354	5.5
105.07021	41.2
106.04290	2.7
107.04932	18.4
107.08574	45.3
107.16600	3.0
109.02862	4.4
109.06513	17.1
109.10136	38.6
111.04418	18.0
111.08073	12.4
117.06987	15.7
119.08554	30.7
120.08080	4.1
121.06479	12.1
121.10101	31.8
123.04419	5.7
123.08040	35.6
123.11690	15.0
125.06010	4.6
125.09628	23.3
127.03894	10.1
129.06972	4.9
131.08568	16.6
133.06506	4.5
133.10095	24.3
135.08017	12.0
135.11638	21.9
136.08746	2.9
137.05954	19.4
137.09566	11.0
138.80379	2.4
139.07529	4.0
143.08554	10.6
145.06393	2.8
145.10110	21.8
147.08014	11.6
147.11667	14.0
149.06097	2.7
149.09601	15.5
151.03798	3.3
151.07542	11.4
153.01778	5.0
153.12715	4.3
155.08472	2.7
157.10097	11.3
159.11658	13.5
161.09555	12.0
161.13263	3.9
163.11177	10.9
165.09105	9.6
167.07014	3.5
171.11639	5.3
175.11197	5.9
177.09109	5.7
177.12724	3.7
179.10596	4.1
181.12228	6.2
189.11203	14.2
189.12708	3.4
191.10619	4.6
193.12244	12.9
199.11229	2.8
227.12712	5.4
263.19876	3.0
270.97446	2.5
273.18497	14.9
291.19519	29.7
309.20905	3.1
315.18906	2.7
317.62595	2.6
365.23053	17.9
383.23984	19.7
399.10522	4.1
455.31613	11.1
473.32846	19.0
491.33887	4.3
545.31842	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	545.383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	2.2
53.03924	8.3
55.01853	10.3
55.05502	46.5
57.03228	1.5
57.03426	25.0
57.05658	2.0
57.07051	2.6
60.30822	1.8
65.03909	2.7
67.05489	94.7
69.03406	2.8
69.07035	21.4
71.04967	4.9
79.05468	79.9
81.03396	71.0
81.07033	100.0
83.04956	8.7
83.08594	23.4
85.02878	13.5
85.06509	3.7
88.15962	2.1
91.05451	56.6
93.07018	65.4
95.04939	37.2
95.08009	2.9
95.08580	63.2
97.06493	3.5
97.10147	11.1
101.62749	2.4
105.07008	46.0
107.04927	4.7
107.08572	45.1
109.06502	4.3
109.10121	26.4
111.08046	5.0
117.06998	17.4
119.08559	37.7
121.06495	4.9
121.09303	3.1
121.10084	28.6
123.08008	3.3
123.11691	3.2
125.09579	10.7
128.06186	2.4
129.06952	14.7
131.08534	32.3
133.10088	21.9
135.08022	2.8
135.11658	14.0
143.08546	4.6
145.10104	19.9
147.08006	2.9
147.11649	17.7
149.09561	4.0
149.13258	3.5
155.08516	2.7
157.10063	12.5
159.11665	14.3
171.11662	4.3
173.13120	3.6
175.11142	10.7
183.11655	4.0
185.13229	2.6
189.11223	3.0
193.12186	19.1
199.05202	2.8
206.03488	2.4
211.13162	5.2
227.12695	3.7
249.14772	3.2
259.20624	2.3
261.21985	8.9
267.15833	22.2
301.25302	4.6
335.25687	24.7
417.31210	2.6
435.32440	2.7
453.33221	4.1
464.01166	2.6
495.90622	2.3
527.37000	26.5
545.38281	80.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36811	0.9
53.03917	1.5
55.01860	10.0
55.05496	17.7
57.03418	6.1
59.04974	1.0
61.02913	1.4
61.40407	1.0
63.20324	1.1
65.03943	1.1
67.05487	22.6
69.03409	5.7
69.07047	7.5
71.04960	8.0
72.36400	1.1
79.05469	44.8
81.03373	2.2
81.07030	100.0
81.96830	1.2
83.04959	19.9
83.08593	10.3
85.02885	14.0
91.05453	20.6
93.06483	1.9
93.07019	33.9
95.04951	14.4
95.08571	17.6
97.06477	2.9
97.10117	2.8
98.54256	1.2
99.04417	4.6
99.08088	1.4
105.07009	19.8
107.04916	8.4
107.08568	17.6
109.06493	32.4
109.10126	14.1
111.04408	20.0
111.08049	7.9
115.05383	1.7
117.07001	15.6
119.04916	1.7
119.08544	29.2
121.06463	8.5
121.10074	12.7
123.08028	9.3
123.11645	2.5
125.05959	7.9
125.09600	5.7
127.03881	1.2
127.07515	1.5
129.06938	5.2
131.08537	13.7
133.06505	3.7
133.10106	8.3
135.08005	6.2
135.11668	8.2
137.05916	2.9
137.09573	2.0
139.07483	2.4
142.07707	1.5
143.08521	5.9
145.10077	12.4
147.08017	11.3
147.11673	6.1
149.09592	7.1
149.13213	1.4
151.07466	1.8
153.05400	2.0
153.12726	5.4
157.10072	6.3
159.11627	4.5
161.09596	7.6
163.11180	11.8
165.09070	4.9
169.10014	1.7
171.11659	2.4
173.09549	2.6
175.11186	1.9
181.12161	2.8
185.13228	1.4
191.10635	2.7
212.86700	1.3
215.94299	1.3
223.13324	1.5
227.12619	2.5
249.14801	1.4
255.17326	1.7
273.18423	14.7
291.16391	2.3
291.19473	43.7
347.22147	4.9
365.23108	48.1
399.10672	7.6
442.82669	1.4
545.31720	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	545.1559
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02944	0.8
54.81039	1.1
55.01867	1.1
56.96549	7.0
57.03421	0.8
61.02894	0.9
61.70433	0.8
61.74200	0.9
69.03413	4.0
71.04974	2.1
72.08135	1.9
73.67407	0.8
77.00881	1.5
81.03384	2.3
84.08147	1.4
84.96026	3.6
85.02883	9.6
86.09702	2.1
97.02874	3.9
98.97569	15.9
99.04484	1.4
101.00854	5.4
104.18756	1.0
109.02853	5.8
110.97536	2.4
112.99146	1.0
113.00864	3.7
115.02401	1.3
116.98605	9.4
119.01902	26.3
127.02356	2.0
127.03897	1.8
128.98584	1.9
129.03958	1.1
131.00159	4.8
131.01878	16.3
133.01703	1.2
133.03436	6.5
134.06038	1.2
134.99631	2.1
135.01398	1.0
137.02971	2.4
139.02364	2.1
140.98582	1.1
142.01122	1.2
143.00151	4.0
143.01891	5.1
145.03438	18.8
145.04984	1.1
146.99640	4.3
147.04999	1.3
149.01222	2.2
149.02940	7.8
155.01881	7.4
156.02686	3.9
157.03458	28.1
157.04681	1.9
158.99643	6.1
159.05037	8.3
160.07573	1.5
161.01190	5.4
161.02914	10.9
162.05534	2.3
163.04532	1.4
167.01898	5.8
169.03429	14.2
171.01385	3.5
171.04984	5.1
173.01282	1.5
173.02904	22.0
175.04497	16.0
177.00644	9.1
177.04123	1.0
177.06047	1.2
181.03407	1.2
182.99628	1.2
183.05006	1.2
184.02110	7.0
185.02916	25.1
187.04482	14.8
189.00650	2.2
189.06000	2.3
197.02928	6.7
199.04486	14.3
201.00679	5.4
201.06155	1.5
203.04001	12.1
204.06540	3.4
205.00304	1.0
208.99707	1.4
211.04492	2.2
213.06046	1.7
215.04016	5.8
217.05519	14.5
219.01720	6.9
219.03587	1.8
219.07071	1.3
221.03195	1.0
221.05066	8.1
229.05577	1.5
231.01636	1.1
235.06590	29.2
237.02745	6.2
239.00554	1.5
239.04112	1.8
245.05002	11.7
247.06688	1.9
253.07649	47.4
257.05023	5.5
261.02777	5.1
261.08157	8.2
263.06091	3.7
269.05334	1.1
271.06329	1.9
271.08878	2.1
275.06146	1.3
279.03842	5.3
279.09201	28.2
289.07626	25.1
305.07074	9.7
307.08670	50.0
321.10309	1.6
323.08203	6.7
333.06604	20.1
333.10352	1.7
351.07660	100.0
353.11395	1.8
369.08701	18.6
381.08020	1.2
427.00867	1.1
527.08588	1.1
545.09686	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	3.2
55.01876	2.9
55.05508	18.1
57.03417	5.2
57.07042	2.8
60.19925	2.0
64.03637	2.0
67.05493	43.5
69.03410	3.2
69.07051	19.1
71.04966	10.4
75.88275	2.0
77.90987	2.7
79.05478	24.3
81.03397	13.3
81.07038	100.0
83.04964	12.2
83.08599	9.8
85.02877	5.7
85.06545	4.6
91.05462	20.3
92.09309	2.5
93.07016	42.3
95.04942	12.3
95.08575	34.6
97.06498	4.6
97.10108	3.5
105.06995	23.1
107.04945	9.7
107.08578	34.4
109.06514	17.2
109.10146	41.1
111.08059	4.5
119.08562	25.3
121.06473	11.8
121.10113	29.2
123.08050	49.9
123.11683	68.1
125.09520	4.2
127.07573	4.1
129.05409	4.1
131.08524	9.6
133.06439	3.3
133.10091	24.3
135.08031	14.9
135.11665	9.2
136.08835	13.5
137.05945	6.2
137.09613	10.7
137.13118	4.1
139.07524	5.9
145.10103	12.8
147.04411	3.0
147.07964	5.2
147.11641	24.8
149.09593	42.6
149.13292	3.2
151.07553	10.0
151.11136	16.2
157.10081	9.9
159.11662	13.4
161.09564	9.8
161.13243	4.3
163.11151	8.6
165.12752	4.7
171.11656	4.7
173.09532	3.0
173.13271	12.3
175.11171	12.1
177.09116	12.0
179.10645	5.9
185.13249	3.0
189.12727	3.8
192.04541	2.4
193.12241	11.2
194.12579	3.2
195.10019	2.6
203.17737	2.8
222.14174	2.7
273.18271	2.8
273.22119	6.0
287.20346	2.3
315.23080	9.7
333.24200	4.2
347.79617	2.7
376.08722	10.0
393.39313	2.3
427.31952	16.7
437.30505	5.4
445.33011	66.6
455.31424	26.5
473.32468	41.6
491.33484	39.8
509.34537	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	544.3118
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33128	2.4
53.00287	5.2
53.03941	5.4
55.01867	35.0
55.05504	76.7
57.03427	45.7
57.07048	2.9
57.87305	2.5
59.04982	3.9
59.45486	2.4
62.92743	2.5
65.03918	7.4
67.05153	3.9
67.05494	79.5
69.03416	7.1
69.07050	24.2
69.07352	2.7
71.04969	16.9
73.02900	4.8
76.55669	3.0
77.03883	2.9
79.05471	98.9
80.05760	4.4
81.03387	48.6
81.07034	100.0
82.03739	3.4
82.04186	4.6
83.01319	18.5
83.04970	46.6
83.08607	35.3
85.02869	5.5
85.06519	6.8
86.12234	2.5
91.05460	99.2
92.05768	4.6
93.06493	4.6
93.07027	95.9
94.07275	3.3
95.04945	61.9
95.08585	46.6
97.02833	4.2
97.06521	20.8
97.10123	25.9
98.07277	11.6
99.04435	3.7
99.23709	3.1
103.05409	4.4
104.26553	3.0
105.04491	4.7
105.06351	5.3
105.07014	86.3
106.07343	3.2
107.04937	64.7
107.08575	66.1
108.05264	6.3
109.06497	39.2
109.10155	25.7
109.10823	3.5
111.04408	6.3
111.08054	12.1
115.05430	5.2
116.04670	19.6
117.07000	34.6
119.08554	56.8
121.06452	18.9
121.10099	30.2
123.04400	49.6
123.08060	27.4
124.04733	16.4
125.09595	25.7
128.06180	5.8
129.05446	50.1
129.06963	28.8
131.04889	12.5
131.08542	43.1
133.06471	4.4
133.10083	31.4
135.04405	15.2
135.08032	15.9
135.11696	25.4
136.04657	3.5
137.05959	36.2
137.09607	4.8
138.06290	7.3
141.06903	3.2
142.07758	11.3
143.06975	5.6
143.08549	22.3
145.06329	4.4
145.10115	43.6
147.08087	6.0
147.11659	13.8
149.05957	3.7
149.09581	4.9
153.01793	33.7
153.09108	3.5
154.02103	10.8
155.08485	12.0
156.09169	3.7
157.08557	19.5
157.10075	19.4
159.07884	3.9
159.11630	16.1
163.11136	35.8
169.10101	12.7
171.02890	5.6
171.10123	6.6
171.11607	12.2
173.09534	5.2
173.13287	5.1
175.11151	5.7
179.03238	5.6
179.08525	3.5
181.12335	3.6
185.13162	4.7
189.11148	11.8
193.12238	4.7
194.10799	3.5
199.13129	6.6
209.11592	4.4
211.14824	3.3
227.12724	14.4
267.15897	7.1
283.15338	92.1
299.12494	4.9
301.16394	73.5
437.12589	3.3
470.33014	5.0
475.26761	4.9
509.27448	63.2
525.35669	5.9
526.35663	14.0
543.36462	19.9
544.16302	4.1
544.30432	3.1
544.37225	51.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	544.2961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.4
55.01855	9.2
55.05497	27.2
57.03428	22.6
59.99082	1.6
61.02892	11.3
66.69593	1.9
67.05486	31.7
69.03413	24.3
69.07034	12.5
70.06554	3.3
70.26480	1.7
71.01338	2.1
71.04971	10.4
73.02894	10.0
79.05469	32.2
81.03397	53.3
81.07030	27.5
82.04135	2.9
83.04974	17.2
83.08598	18.5
85.02887	19.1
85.06512	4.2
91.05449	18.0
93.07005	28.2
94.04121	3.1
95.03512	1.8
95.04958	15.8
95.08568	13.4
97.02863	26.4
97.06493	8.9
97.10141	31.4
99.04434	4.7
101.02369	2.3
103.03928	2.4
105.06980	13.5
107.04940	12.9
107.08579	22.2
109.02835	10.1
109.06477	3.0
109.10141	17.3
110.07282	2.0
111.04424	4.9
111.08058	3.4
116.04696	2.8
117.06984	2.5
119.08530	11.1
121.06486	4.4
121.10105	5.1
123.04360	10.8
123.08001	12.6
125.09595	30.1
127.03880	10.2
129.05443	13.6
129.06984	7.9
131.08531	8.5
133.10104	8.7
135.08023	4.1
135.11688	3.7
137.09561	2.8
143.07011	2.6
145.10077	8.0
147.11653	12.3
149.09563	2.7
153.09064	4.5
153.12680	3.6
155.07018	2.1
157.08565	3.6
157.10030	3.3
163.11159	7.4
165.12622	2.9
171.10164	2.6
173.04468	2.6
173.11691	4.1
181.12160	8.0
189.11166	19.6
191.10693	3.2
193.12256	2.4
209.11673	3.8
211.13113	3.3
227.10490	3.7
227.12724	100.0
229.14278	16.2
242.03825	2.0
242.06311	2.0
265.72311	2.2
267.15768	11.7
269.74576	2.3
283.15323	12.5
284.16028	11.9
301.16406	38.3
337.15906	2.2
414.35721	2.5
429.21283	9.2
445.20401	11.1
548.44232	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	544.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.2
55.01856	0.4
55.05490	1.2
57.03425	0.3
59.84734	0.2
60.33008	0.2
67.05486	2.9
69.03407	0.3
69.07047	0.9
70.06562	0.2
71.04961	1.0
72.45180	0.2
79.05472	3.6
81.03390	1.0
81.07040	4.8
83.04979	0.5
83.08600	0.3
85.02876	0.5
85.06518	0.3
91.05470	2.0
93.07020	3.1
95.04932	3.7
95.08565	2.3
97.02852	0.3
103.05415	0.4
105.04470	0.3
105.07001	2.5
107.04933	90.4
107.08559	2.2
108.05289	0.3
109.06493	1.4
109.10141	2.5
117.07000	0.4
119.08537	1.5
121.06497	1.8
121.10110	1.9
122.03579	0.3
123.04407	1.8
123.08039	1.4
123.11677	1.2
125.05953	4.8
127.07510	0.2
131.04916	2.1
131.05734	0.2
131.08513	0.5
133.06413	0.4
133.10083	1.0
135.05476	1.8
135.07956	0.8
135.11687	1.0
136.08823	0.3
137.05949	100.0
138.06284	0.4
139.07536	0.5
145.06418	0.4
145.10115	0.5
147.11688	0.9
149.05966	1.8
149.09592	1.4
151.07491	1.0
151.11093	0.3
153.84138	0.2
157.10085	0.3
159.11624	0.3
161.05940	4.0
161.09579	0.3
167.07025	0.3
171.11591	0.3
173.05905	0.2
173.13158	0.3
175.11137	0.4
177.09081	0.4
179.06987	0.9
179.10574	0.3
193.12091	0.4
203.14264	0.3
209.02054	0.2
211.13206	0.3
215.14209	0.3
225.08978	0.5
233.15294	0.3
235.07434	1.1
249.08777	0.2
253.08508	1.8
255.10077	1.9
262.06155	0.5
263.06918	1.3
264.07681	0.4
267.10062	2.1
273.11169	5.9
277.08466	1.1
279.06439	0.4
280.07321	1.0
295.09586	10.2
297.11151	0.5
385.14188	0.4
387.29123	0.3
402.14395	3.2
403.15305	3.3
433.29187	0.3
439.26520	0.3
445.33060	2.1
455.31265	0.5
473.32297	0.9
491.33313	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.4559
Annotation	Unknow
Peak:m/z	Relative Intensity
54.11023	3.7
55.05500	26.3
57.07061	8.7
65.55339	4.2
67.05492	37.1
69.07043	26.0
71.04955	9.3
79.05479	28.1
81.07031	100.0
83.08617	7.9
91.05466	22.0
93.07022	79.3
95.04934	5.9
95.08582	84.3
97.10123	5.5
105.07005	73.5
107.08565	67.0
109.06499	5.1
109.10153	59.7
111.08025	5.7
117.07008	4.9
119.08558	78.5
121.10112	48.2
123.11670	25.8
129.77103	4.1
131.08545	20.5
133.10107	37.9
135.11674	23.5
141.39090	4.6
143.08510	5.0
145.10115	30.0
147.11678	27.4
149.13220	27.5
157.10120	28.3
159.11664	45.3
161.13235	18.2
163.14754	5.8
171.11674	22.3
173.13217	20.1
174.28125	4.7
175.14748	9.7
177.16409	7.2
177.18251	4.6
183.11665	6.8
185.13161	9.5
187.14799	19.2
189.16339	10.4
197.13287	5.6
199.14832	7.7
201.16338	5.9
203.17970	5.6
215.17896	6.2
313.29874	4.7
542.54016	8.6
543.45184	44.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.2
55.05508	26.9
57.03419	4.7
59.00963	1.6
59.04995	3.0
67.05488	38.7
69.03413	2.2
69.07043	11.9
79.05117	2.2
79.05474	34.9
81.03400	18.4
81.07036	44.4
83.04971	3.5
83.08595	13.3
85.06642	2.4
91.05460	38.8
92.08578	1.8
93.07014	34.4
95.04953	17.3
95.08582	28.7
97.06522	3.0
97.10135	8.9
99.04459	2.9
101.05952	2.8
105.07007	34.7
107.04950	14.0
107.08570	17.0
109.06520	3.8
109.10149	11.2
111.08039	2.6
115.05454	2.8
117.06997	13.3
119.08572	27.8
121.06477	4.0
121.10115	10.5
123.04440	3.2
123.08018	2.3
123.55486	2.3
125.09595	3.9
128.06216	2.9
129.06972	14.8
131.04840	4.4
131.07680	2.8
131.08525	24.8
133.06438	2.5
133.10072	18.7
135.11612	3.6
137.05922	8.8
141.06955	3.9
142.07773	7.9
143.08583	14.8
144.09326	2.7
145.06445	3.1
145.10060	22.1
147.08041	3.4
147.11681	9.2
149.09641	2.7
155.08507	10.1
157.08998	2.2
157.10072	15.7
159.11676	11.4
167.08536	3.3
169.10042	9.5
171.11659	12.2
173.09593	3.5
173.13219	10.5
175.11116	2.5
179.08557	2.4
181.10094	4.3
183.11694	9.9
185.09666	2.4
185.13188	4.4
187.11160	2.1
193.10164	3.0
195.11609	5.1
197.13264	3.5
199.14807	3.4
209.13278	4.1
213.16449	2.3
223.14687	3.0
234.10989	2.1
257.04428	3.7
258.04758	8.4
259.05139	3.6
267.15866	4.6
280.92050	2.3
287.05283	4.6
288.05527	2.9
289.05817	3.2
290.35376	2.2
299.23407	3.3
327.83298	2.1
413.41907	2.3
433.30713	5.0
437.11069	2.6
451.31918	11.5
469.32855	2.9
525.35706	18.8
543.15424	27.6
543.36725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.90363	2.0
55.01861	4.4
55.05509	44.6
57.03424	10.9
57.07066	2.5
65.03943	3.0
67.05490	49.3
69.03419	3.4
69.07053	17.8
71.04996	2.6
79.05470	52.6
81.03407	18.4
81.07036	51.7
83.04967	12.5
83.05444	2.5
83.08609	17.9
89.06023	3.6
91.05457	40.8
93.07029	56.0
93.34124	2.5
95.04944	16.8
95.08576	28.3
97.06495	4.7
97.10134	21.3
105.07023	37.8
107.08573	29.1
109.06474	3.9
109.10140	13.8
109.96208	2.7
111.08035	2.8
117.07008	14.7
119.08552	26.8
121.06508	3.1
121.10134	14.2
125.09611	12.5
129.06985	13.6
130.16457	2.6
131.08562	28.3
133.10110	14.7
135.11694	10.0
141.07048	2.9
143.08534	15.8
145.10088	24.6
147.11673	11.1
147.93494	2.9
157.10130	14.3
159.08049	3.4
159.11690	14.2
163.11125	3.3
169.10045	3.3
171.11676	12.0
173.13264	6.1
183.11679	5.1
185.13261	3.9
189.11160	4.4
195.11670	6.4
197.13231	4.5
209.13225	3.0
223.15012	2.9
227.12883	3.1
261.22144	2.7
299.23694	11.3
451.31995	6.1
469.33286	5.9
525.36115	22.3
525.43219	4.1
543.29083	4.8
543.36755	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	8.2
55.05508	26.9
57.03419	4.7
59.00963	1.6
59.04995	3.0
67.05488	38.7
69.03413	2.2
69.07043	11.9
79.05117	2.2
79.05474	34.9
81.03400	18.4
81.07036	44.4
83.04971	3.5
83.08595	13.3
85.06642	2.4
91.05460	38.8
92.08578	1.8
93.07014	34.4
95.04953	17.3
95.08582	28.7
97.06522	3.0
97.10135	8.9
99.04459	2.9
101.05952	2.8
105.07007	34.7
107.04950	14.0
107.08570	17.0
109.06520	3.8
109.10149	11.2
111.08039	2.6
115.05454	2.8
117.06997	13.3
119.08572	27.8
121.06477	4.0
121.10115	10.5
123.04440	3.2
123.08018	2.3
123.55486	2.3
125.09595	3.9
128.06216	2.9
129.06972	14.8
131.04840	4.4
131.07680	2.8
131.08525	24.8
133.06438	2.5
133.10072	18.7
135.11612	3.6
137.05922	8.8
141.06955	3.9
142.07773	7.9
143.08583	14.8
144.09326	2.7
145.06445	3.1
145.10060	22.1
147.08041	3.4
147.11681	9.2
149.09641	2.7
155.08507	10.1
157.08998	2.2
157.10072	15.7
159.11676	11.4
167.08536	3.3
169.10042	9.5
171.11659	12.2
173.09593	3.5
173.13219	10.5
175.11116	2.5
179.08557	2.4
181.10094	4.3
183.11694	9.9
185.09666	2.4
185.13188	4.4
187.11160	2.1
193.10164	3.0
195.11609	5.1
197.13264	3.5
199.14807	3.4
209.13278	4.1
213.16449	2.3
223.14687	3.0
234.10989	2.1
257.04428	3.7
258.04758	8.4
259.05139	3.6
267.15866	4.6
280.92050	2.3
287.05283	4.6
288.05527	2.9
289.05817	3.2
290.35376	2.2
299.23407	3.3
327.83298	2.1
413.41907	2.3
433.30713	5.0
437.11069	2.6
451.31918	11.5
469.32855	2.9
525.35706	18.8
543.15424	27.6
543.36725	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	543.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.3
55.01861	2.0
55.05265	1.8
55.05507	28.9
55.56559	1.2
57.03426	10.0
57.07063	1.4
59.01396	1.3
67.05490	40.8
67.05843	1.6
69.03414	2.3
69.07047	13.0
71.04960	3.0
79.05470	30.8
81.03399	23.1
81.07040	43.4
83.04979	6.4
83.08612	13.5
91.05460	34.3
93.07022	34.2
95.04948	13.3
95.08586	22.7
97.06480	2.6
97.10145	11.1
105.07008	37.8
105.12575	1.3
107.04959	10.2
107.08578	22.7
109.06512	2.0
109.10133	16.9
111.08099	2.6
115.05457	2.0
117.06999	18.1
119.08564	24.9
121.06484	3.2
121.10133	8.4
123.08066	2.1
125.09654	6.3
128.06172	5.7
129.06969	16.1
131.08557	28.0
132.71201	1.5
133.10101	19.2
135.08038	2.4
135.11658	6.8
137.06007	2.8
141.06969	6.3
142.07715	1.5
143.08542	18.8
145.06438	2.4
145.10107	19.0
147.08040	2.4
147.11618	10.3
149.09616	2.4
151.07520	2.3
155.08531	12.2
157.06520	2.1
157.10071	16.9
159.08054	3.1
159.11681	14.1
161.13251	3.0
167.08578	5.5
167.11717	1.5
169.10085	11.0
171.11690	15.0
173.09657	1.9
173.13271	6.5
175.14833	1.5
179.08540	2.0
181.10109	6.8
183.11588	10.6
185.13280	9.2
187.11174	2.6
187.14772	1.6
189.11186	2.0
193.10130	2.1
195.11751	7.5
197.13216	6.8
199.11111	1.8
199.14711	4.8
207.11659	2.7
209.13361	4.3
211.14833	2.3
213.12657	1.6
221.13213	2.5
225.76917	1.4
241.19496	1.8
259.20627	3.1
267.15891	9.0
299.23688	5.9
333.24142	1.7
339.22928	1.7
350.79248	1.4
415.30045	1.8
433.30997	9.6
451.31982	11.6
469.33038	6.2
507.34470	2.2
525.35492	24.5
527.89203	1.6
543.36676	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80411	1.8
52.29762	2.1
53.54154	2.1
55.05508	3.4
57.07066	62.2
67.05479	4.7
69.07044	4.6
71.08618	32.8
73.06536	5.2
81.07053	4.4
85.10178	26.5
87.04461	8.8
89.06009	100.0
92.09364	11.3
93.07020	3.4
95.08611	4.1
97.10160	4.5
99.11695	2.8
105.07031	4.3
107.04896	2.4
107.07033	5.4
107.08636	2.5
109.10178	3.9
117.19406	2.4
119.08549	3.2
121.85312	2.4
133.08577	33.0
133.10191	2.4
146.42470	2.4
176.12437	2.3
177.11188	17.8
199.20604	2.8
216.63391	2.8
221.13814	3.1
243.23064	5.3
287.25711	3.7
371.22726	11.6
525.39960	23.1
542.42181	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	543.3678
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	4.5
55.05504	34.3
55.31182	2.6
55.54627	2.6
56.63762	2.8
57.03430	6.4
57.07064	4.4
60.40517	3.0
67.05493	49.3
69.07040	17.5
70.81087	3.2
79.05481	39.2
81.03407	7.2
81.07036	45.1
83.04957	5.2
83.08586	20.0
85.10167	3.3
89.06023	7.7
91.05439	28.3
92.00037	3.1
92.08698	8.5
93.07027	34.1
93.26581	3.2
95.04938	4.6
95.08586	38.5
97.10157	19.7
105.07009	30.1
107.04936	5.7
107.08575	18.6
109.06517	5.2
109.10136	17.4
117.06984	19.6
119.08556	26.6
121.10139	6.8
123.11621	3.1
125.09571	13.9
129.06947	6.8
131.08498	29.1
133.10086	22.9
135.08040	3.4
143.08527	15.4
145.10097	28.2
147.11682	5.1
149.13196	4.0
153.65741	3.1
157.10110	12.7
159.07903	3.6
159.11682	18.7
161.13181	4.4
167.08521	3.8
169.10089	4.8
171.11664	12.4
173.13226	14.9
183.11615	6.7
185.13301	5.7
197.13292	6.2
199.14822	4.2
227.12662	4.9
252.97949	3.5
280.13617	3.1
299.23672	13.7
433.30899	6.5
451.31516	13.8
525.35919	30.2
543.29150	5.0
543.36743	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	542.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78680	0.1
57.03425	0.8
62.76237	0.2
65.25789	0.1
66.33500	0.2
67.05484	0.3
69.03397	0.3
69.07044	0.4
69.30283	0.2
70.85387	0.1
71.04988	1.6
78.25781	0.2
78.39631	0.2
79.05463	0.9
80.60736	0.2
81.03380	0.3
81.07038	0.9
83.04944	0.2
85.02886	3.4
91.05453	2.0
93.07031	0.5
94.04173	1.4
95.08583	0.4
97.02867	0.4
98.97582	0.3
103.05451	7.3
105.07014	4.0
107.04930	1.5
107.08598	0.3
109.06499	1.1
115.05423	0.3
117.06985	1.0
119.04906	0.4
121.06499	2.2
121.10088	0.2
122.03624	5.9
123.04417	0.3
123.08038	0.8
128.06197	1.1
129.06995	0.9
131.04904	11.0
131.08475	0.3
133.06467	14.4
135.08029	6.1
136.05188	0.3
137.05954	100.0
138.06268	0.2
139.07515	0.3
143.04887	0.3
143.08530	1.6
145.06454	4.1
147.08035	0.4
149.05962	0.9
151.07518	6.6
157.06459	1.7
160.05214	0.3
161.01193	0.3
162.06689	0.3
163.07506	26.8
165.09174	0.2
167.07005	5.0
171.08031	2.0
173.05991	0.3
174.06754	1.2
175.07489	2.3
177.09067	13.6
179.07056	0.2
187.07471	0.4
188.08298	0.9
189.09111	2.3
191.07060	0.2
195.10136	0.3
203.10637	3.7
207.07925	0.3
221.11661	2.2
235.11110	1.0
245.09554	0.4
245.79634	0.2
263.10590	1.0
266.00665	0.2
289.72656	0.2
295.13232	8.1
296.80396	0.2
327.15848	15.1
345.16934	2.1
361.02417	1.7
375.30109	0.2
379.03339	1.0
544.58630	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83012	1.4
51.17169	1.2
53.00304	1.5
53.03928	3.5
55.05305	1.3
55.05505	20.7
55.33876	1.4
57.07061	22.6
65.03909	1.8
67.05488	37.1
69.07055	32.7
69.62561	1.5
70.06568	12.4
71.08598	8.6
76.55778	1.7
79.05474	28.5
81.07035	100.0
83.08614	11.9
85.10153	2.9
88.07606	17.8
89.05995	2.3
91.05457	17.6
92.08844	1.9
93.06484	2.8
93.07024	57.9
95.04900	1.9
95.08583	81.1
97.10138	7.8
102.09177	16.9
102.24159	1.5
104.66107	1.4
105.07011	51.0
107.08575	62.6
109.09478	2.6
109.10144	48.4
117.06982	7.3
119.08559	57.2
121.10108	48.3
121.42299	1.6
123.11683	18.7
129.06947	1.8
131.08524	19.1
133.10095	31.4
135.11674	24.0
137.13213	6.3
142.07751	2.8
143.08540	9.6
145.10094	28.5
147.11646	29.0
149.13251	19.4
157.10118	13.8
158.10846	1.8
159.11658	30.7
159.75244	1.7
161.13206	20.9
163.14731	11.9
169.10042	3.9
171.11649	13.3
172.12563	1.8
173.13249	21.3
175.14751	14.3
177.16350	3.9
183.11661	6.2
185.13260	11.8
187.14774	13.3
189.16333	6.4
197.13148	6.2
199.14752	7.1
201.16307	12.3
203.17947	9.1
209.13200	2.4
211.14780	7.2
213.16353	8.0
215.17874	11.5
217.19380	3.1
225.16429	3.2
227.17882	6.9
229.19537	3.5
231.21033	2.1
239.17900	1.8
241.19339	2.6
243.21107	1.8
253.19466	2.3
255.21053	3.2
256.26288	29.6
257.22549	6.1
257.26590	8.5
267.60550	1.6
269.22641	2.0
271.24139	2.2
283.26276	10.3
284.29224	5.9
295.24155	2.2
304.29456	1.7
309.25662	2.3
311.29483	23.6
312.29605	10.8
323.27295	2.7
325.28644	2.6
403.33350	2.6
540.53528	30.7
541.47205	62.9
541.53778	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	541.4764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
54.81225	1.6
55.05503	20.4
57.07063	30.7
58.06573	1.9
63.41830	1.6
64.10594	1.6
67.05490	39.7
69.07053	36.8
70.06571	16.9
71.08609	11.4
79.05474	27.8
81.07036	100.0
83.08602	14.4
85.10196	2.1
88.07606	22.8
89.05980	4.0
91.05466	26.4
92.09122	2.1
93.07021	59.8
95.08006	3.3
95.08585	89.9
97.10138	7.5
101.82190	1.9
102.09164	15.7
105.07008	59.6
107.08574	61.0
109.06485	2.1
109.10139	57.7
117.06985	7.2
119.08559	70.7
121.10118	49.3
123.11684	17.8
129.06946	2.3
131.08543	22.2
133.10097	30.6
135.11662	23.7
137.13231	6.8
142.07744	1.9
143.08522	9.9
144.09334	3.5
145.10118	30.5
147.11678	29.9
149.13205	20.6
155.08479	2.7
156.09261	2.7
157.10097	13.8
158.10820	2.4
159.11650	39.1
161.13213	26.3
163.14786	10.1
169.10133	6.1
171.11662	18.1
173.13206	24.0
175.14760	18.1
177.16324	3.9
183.11646	4.6
185.13190	15.9
187.14798	17.3
189.04854	2.1
189.16382	11.2
194.93953	1.8
197.13281	3.8
199.14824	10.3
200.79044	2.0
201.16338	10.4
203.17834	8.3
211.14868	2.2
213.16379	10.4
215.17926	8.1
217.19537	2.6
227.17876	7.8
229.19569	3.1
241.19481	3.5
243.21022	2.2
255.20990	4.1
256.26328	33.9
257.22614	2.7
257.26685	14.6
268.59805	2.1
269.22522	3.1
283.26291	8.1
284.29449	6.1
285.29880	4.1
289.59045	2.0
311.29425	35.8
312.29697	16.3
540.53424	31.1
541.47168	46.9
541.53784	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	541.4765
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.8
53.03937	1.2
55.05503	19.1
55.14689	1.0
57.07074	20.0
58.06587	1.7
60.94759	1.2
67.05492	29.9
68.59793	1.2
69.07057	27.9
70.06586	11.6
71.08611	12.1
79.05473	20.4
81.07037	100.0
83.08601	9.9
85.10191	2.2
88.07630	13.8
88.56563	1.4
89.06015	1.8
91.05462	15.0
93.07023	52.5
95.08585	70.8
97.10159	7.0
102.09154	10.6
105.07019	44.9
107.08580	52.5
108.04142	1.2
109.06469	1.5
109.10144	49.3
111.11678	2.4
117.07040	2.3
119.08563	56.7
121.10123	48.1
123.11694	20.5
129.06955	2.0
131.08557	15.3
133.10098	29.9
135.11668	24.4
137.13228	9.7
142.07771	1.8
143.08539	8.5
144.09407	1.7
145.10109	25.2
147.11679	26.6
149.13251	15.6
156.09315	2.6
157.10109	13.4
159.11658	29.9
161.13206	22.7
163.14760	11.8
169.10109	6.6
171.11693	14.0
173.13239	22.1
175.14804	15.6
177.16370	3.2
181.09943	1.6
183.11679	5.9
185.13181	10.7
187.14806	7.9
189.16348	10.9
197.13199	6.2
199.14777	8.3
201.16367	10.1
203.17979	7.2
209.13226	1.6
211.14841	6.0
213.16309	11.1
215.17902	7.7
217.19522	1.5
223.14900	1.8
225.16350	3.0
227.17960	2.8
229.19499	8.8
239.17955	2.4
241.19446	6.1
243.21014	2.9
253.19507	2.0
255.21027	2.8
256.26291	24.0
257.26590	11.3
267.20969	2.8
269.22491	5.4
271.24179	2.0
281.22565	2.3
283.26337	6.0
284.26575	2.6
284.29507	3.0
297.25784	2.1
311.29486	23.6
312.29724	13.7
337.28821	3.1
350.03424	1.5
351.30521	1.9
395.57538	1.4
405.35306	2.2
445.37955	1.8
540.53503	29.0
541.47235	55.1
541.53912	32.3
557.47644	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.4763
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67030	1.1
51.22271	1.2
55.05505	19.9
57.06814	1.6
57.07064	29.4
58.06585	2.0
64.33037	1.1
64.39665	1.2
65.03906	1.3
67.05490	34.9
69.07051	34.3
70.06577	18.6
71.08607	11.7
73.02899	1.7
79.05469	22.7
81.07035	100.0
81.99088	1.1
83.08598	12.0
85.10160	2.9
88.07600	20.7
89.05997	2.3
91.05458	21.8
92.09332	3.8
93.07019	58.8
95.04918	1.8
95.08582	80.8
97.10146	6.8
99.38132	1.2
101.35337	1.4
102.09153	17.1
105.07014	49.7
106.08672	1.6
107.08576	56.2
109.10136	52.8
111.11674	1.5
117.07003	6.5
119.08551	58.6
121.10112	44.8
123.11668	18.8
124.98365	1.3
129.06946	3.1
131.08551	16.7
133.10089	30.0
135.11665	22.3
137.13252	1.7
142.07759	2.1
143.08585	9.6
144.09332	1.9
145.10107	26.6
147.11661	25.9
149.13237	18.3
155.08572	2.1
156.09346	1.9
157.10100	16.0
158.10875	2.1
159.11662	32.8
161.13237	21.5
163.14784	11.0
169.10133	8.4
170.10918	1.5
171.11681	14.1
173.13228	20.1
175.14799	12.0
177.16356	3.2
181.10091	1.8
183.11685	3.0
185.13190	12.1
187.14804	10.4
189.16330	8.2
191.17836	1.7
197.13202	5.6
199.14754	13.6
201.16351	9.0
203.17897	6.0
211.14786	5.9
213.16316	8.5
215.17918	6.2
223.14842	1.9
225.16299	3.2
227.17914	2.6
229.19485	6.0
232.21301	1.3
239.17931	1.6
241.19551	2.7
243.20970	1.4
253.19588	3.0
255.21074	4.8
256.26294	31.7
257.22571	3.0
257.26563	13.0
267.21033	2.0
269.22595	5.3
274.27289	2.2
281.22433	1.4
282.19308	1.3
283.26489	10.0
284.26569	2.9
284.29404	7.6
285.25629	1.7
285.29633	1.6
295.24042	1.8
297.25705	2.0
311.29523	25.1
312.29700	17.2
365.10013	1.4
445.38416	1.8
485.41309	1.6
515.37799	1.5
540.53314	28.4
541.47192	45.7
541.53796	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	541.1492
Annotation	Afzelone A
Peak:m/z	Relative Intensity
51.47143	0.5
67.01855	0.5
67.05505	0.9
68.99763	0.8
69.03443	0.5
79.05476	2.2
81.07068	0.7
83.04942	0.6
91.05487	0.9
93.07034	0.9
95.02512	0.5
95.04947	0.9
95.08609	1.0
103.05492	0.8
105.07021	0.9
107.04937	30.5
107.08569	0.6
114.29382	0.5
117.74255	0.5
123.04422	2.5
125.05984	1.3
131.04912	3.4
135.04408	0.9
135.05432	0.6
135.08101	0.5
137.02335	3.3
137.05952	11.4
147.04416	2.3
149.06033	1.0
153.01793	18.3
153.72937	0.6
159.04402	0.5
161.05975	1.2
171.04353	1.2
197.37057	0.6
203.03485	0.7
203.26953	0.5
207.07924	0.5
212.57182	0.5
224.04613	0.6
229.04951	1.0
242.09406	0.6
243.06503	3.0
253.04848	0.7
253.08656	0.6
255.06482	2.6
257.04440	2.8
258.05191	11.9
265.04980	1.1
267.06711	0.7
269.04352	0.7
270.46072	0.5
271.05975	12.3
272.06998	0.6
285.04083	0.6
286.04633	5.8
287.05588	2.5
298.04553	1.2
299.05429	32.0
301.03455	6.9
311.05469	17.1
323.05484	2.1
335.09430	0.7
345.07617	0.8
361.06949	1.1
375.08737	1.3
389.10312	1.3
390.07297	6.4
391.08011	17.4
399.08737	0.7
403.08041	7.1
405.09631	16.4
417.09619	8.9
418.06635	1.3
419.07504	23.4
420.08554	2.1
433.09039	4.8
434.09872	0.9
435.10641	61.9
447.10648	3.2
501.79922	0.6
541.14838	100.0
542.15192	3.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.2217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.5
54.82084	0.2
55.05510	0.5
66.90128	0.3
67.05503	0.5
68.59436	0.2
69.03403	0.3
69.07063	0.3
70.46801	0.2
78.89422	0.2
79.05480	3.6
81.07047	1.8
91.05466	1.4
93.07018	1.0
95.04941	3.2
95.08586	0.4
101.81156	0.2
105.04490	0.3
105.07030	1.7
107.04936	55.3
107.08578	1.0
109.06508	1.0
109.10124	0.3
111.08143	0.3
119.08547	1.1
121.02821	0.3
121.06488	2.1
122.03626	0.4
123.04384	2.0
125.05949	4.6
129.12462	0.3
130.85585	0.3
131.04910	2.1
131.08534	0.5
133.06439	0.4
135.05518	2.2
137.05954	100.0
145.10139	0.6
149.05965	2.0
151.07533	1.3
157.10056	0.3
161.05972	0.6
175.07565	0.6
179.06905	0.3
215.17595	0.3
243.10062	0.3
255.10103	0.5
269.11630	0.5
273.11111	1.8
309.11188	0.6
416.15952	0.5
419.76794	0.3
525.10803	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.1489
Annotation	Afzelone A
Peak:m/z	Relative Intensity
53.03917	1.3
55.05501	1.4
65.86346	0.9
67.01839	1.2
67.05486	3.9
69.03410	1.2
69.07019	1.4
79.05484	5.8
81.07049	4.8
83.04968	1.7
84.05309	0.8
85.02906	0.9
85.60773	0.8
91.05463	4.6
93.07021	4.5
93.81673	0.8
95.04917	6.8
95.08557	1.7
98.12029	0.8
99.04421	1.1
105.07010	4.1
107.04934	72.1
107.08538	1.8
109.06499	1.2
109.10115	1.5
119.08553	3.4
121.06461	1.6
121.10115	1.7
123.04424	5.5
124.05087	0.8
125.05964	1.7
131.04926	5.4
131.08545	1.3
133.10161	0.9
135.04361	1.0
135.07990	1.3
137.05957	14.6
145.10057	1.2
146.40497	0.9
147.04388	2.1
151.07538	1.8
153.01797	24.7
153.02980	0.9
159.04372	1.6
159.11676	0.9
163.56670	0.9
171.02953	1.1
177.05484	0.9
195.08035	5.3
197.06024	0.8
199.07570	1.4
210.96515	0.8
213.05554	1.3
219.08052	1.0
221.05922	1.9
223.07439	8.3
226.06166	1.6
237.05377	10.7
239.06915	1.5
241.04976	1.0
241.08498	1.1
249.05676	1.1
250.06346	1.0
251.07005	4.8
253.04947	2.0
254.05704	1.7
255.10205	1.0
257.04379	3.0
265.04880	17.5
266.05505	1.4
267.06546	1.6
268.07217	2.0
269.04871	1.5
269.07990	25.1
281.04327	1.9
282.05295	3.6
282.08960	3.6
283.06143	1.0
293.04425	6.1
295.06140	1.1
297.03964	3.8
298.04660	1.9
309.03708	1.0
310.04559	12.5
311.05414	55.8
323.05399	1.9
324.12790	1.0
401.06451	2.0
405.09665	1.2
418.06836	1.6
433.08936	8.5
435.10693	5.1
454.23080	1.0
541.14807	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	541.149
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06174	0.2
53.03913	0.6
54.18200	0.2
54.20410	0.2
55.01836	0.4
55.05500	0.3
58.16927	0.2
65.25568	0.2
67.01827	0.7
68.08345	0.3
68.99756	0.4
79.05463	2.1
80.48415	0.3
81.07015	1.1
85.44640	0.3
89.44463	0.2
91.05453	2.2
93.07001	0.7
95.04951	2.1
103.05434	3.9
105.07001	2.5
107.04934	27.0
108.21198	0.3
109.06443	0.4
115.34177	0.3
117.06955	0.4
118.04070	0.4
119.04874	0.5
119.08553	0.3
120.80745	0.3
121.05737	0.3
121.06483	3.4
123.04409	2.2
125.06017	2.0
131.04892	26.0
132.05682	3.0
133.06480	2.7
135.04402	5.8
135.05409	0.6
137.02261	0.6
137.05949	21.2
145.06474	0.5
147.04341	1.7
149.05980	2.6
149.06935	0.3
150.06693	1.6
151.07576	1.0
152.06084	0.4
153.00557	0.5
153.01801	13.5
161.02298	0.7
161.05930	8.7
162.06671	1.2
165.06929	0.4
167.05154	0.2
167.08469	1.4
169.09886	0.3
171.02815	1.6
174.06525	0.3
179.03285	0.6
179.08621	0.4
181.06458	1.4
185.05974	0.3
194.07187	0.6
195.07985	3.5
197.05966	1.2
203.03352	6.7
209.09850	0.3
210.06686	0.3
211.07494	0.3
212.08276	1.7
213.05391	0.4
217.16454	0.3
223.07484	2.3
224.08287	4.1
225.09103	0.4
227.10640	1.4
229.04926	6.8
239.06946	1.4
240.07768	2.9
241.04823	1.5
242.05649	2.5
245.44844	0.3
251.01842	0.3
255.10170	2.2
256.10873	0.3
257.04376	59.9
258.05145	12.1
269.04297	1.3
270.05212	0.4
285.03821	2.5
286.04645	19.0
287.05426	97.1
288.05807	0.4
297.03885	0.6
301.06955	1.1
311.05594	0.4
405.09518	7.4
417.09567	1.5
435.10611	8.9
443.27432	0.4
447.10608	0.4
541.14819	100.0
542.15076	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.3321
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42781	0.8
53.03927	0.9
54.64699	0.9
55.05487	1.5
57.07071	1.7
59.30142	0.9
67.05482	4.4
70.06573	1.6
71.08611	1.2
71.98309	0.9
78.84179	0.9
79.05461	6.4
81.07031	4.7
83.18450	0.8
88.07612	1.6
89.05513	1.5
89.06008	18.5
91.05441	4.4
92.79317	1.1
93.07033	9.1
95.04951	3.7
95.08556	2.1
96.41562	1.0
102.09126	1.9
103.05415	5.1
104.09192	0.8
105.07009	100.0
107.08621	1.5
119.08533	3.6
121.06463	17.3
121.07781	1.1
129.63260	1.0
130.93225	1.0
131.08490	1.8
133.08624	6.9
133.10109	1.7
145.10135	1.0
147.08035	7.7
147.11624	1.5
149.09590	1.5
165.09056	4.1
209.11559	1.3
246.53546	0.9
256.26178	4.0
269.15189	1.2
284.29385	1.6
311.29333	6.8
315.18051	16.6
419.24011	11.2
523.30225	1.6
540.31989	5.3
540.53400	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	540.9874
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96555	8.6
60.43457	0.4
71.95237	0.5
97.02895	0.8
98.97559	75.6
116.98598	81.0
134.99634	51.6
139.78328	0.4
140.00146	0.6
149.10039	0.4
153.00687	9.2
158.01279	0.6
167.31587	0.4
172.94328	1.5
190.95329	4.9
192.98747	0.5
204.82813	0.4
208.96448	3.5
214.95337	1.7
232.96426	11.0
234.99812	0.8
236.99904	0.5
240.98705	0.7
248.94341	0.5
250.97456	8.8
254.44128	0.4
256.96313	14.1
256.98785	0.6
258.99713	7.0
261.03067	1.0
274.97452	95.5
275.97900	1.8
277.00769	17.4
278.01028	0.7
279.00912	0.5
282.99969	2.3
284.99704	0.9
290.95395	1.9
292.98505	100.0
293.98746	1.4
297.99023	2.4
298.97626	1.7
301.01047	5.5
302.01111	2.4
303.00858	1.9
304.01309	0.7
305.00717	0.6
307.71146	0.4
308.96469	0.6
310.99567	1.4
314.95557	0.6
316.00125	0.7
316.98749	3.9
332.96582	0.9
398.97510	11.2
401.00589	1.8
416.98590	35.6
432.96735	0.7
434.99759	10.0
440.00214	0.6
443.02145	0.6
445.02118	0.6
456.96414	1.7
457.03122	0.8
457.96204	0.6
458.99481	0.7
498.97430	0.6
540.98621	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	540.3012
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29834	0.3
53.00293	0.5
53.03934	0.3
55.01867	0.5
55.05500	4.0
56.63229	0.3
57.03425	9.1
57.03686	0.5
57.07068	0.6
59.04985	0.3
60.04515	0.4
61.02914	0.8
62.55644	0.3
62.66502	0.3
62.78371	0.3
63.09709	0.3
67.05494	0.8
69.03410	30.5
69.07049	16.9
71.01325	0.4
71.04971	60.6
71.08610	18.7
71.09010	0.7
73.02888	1.9
75.04465	2.2
79.05459	0.4
81.03416	0.5
81.07043	3.4
83.04958	9.2
83.08604	1.8
85.02884	62.3
85.06519	0.7
87.04449	1.5
91.05421	0.3
92.08620	0.8
93.07025	0.6
95.04951	0.4
95.08577	5.1
97.02882	1.7
97.06528	0.7
97.10138	2.5
99.04418	1.5
99.08063	29.4
102.39270	0.3
103.03935	0.3
105.07001	1.3
105.08067	0.3
107.08579	0.3
109.02887	0.4
109.10112	2.3
110.10477	0.3
111.04423	2.4
111.11688	3.9
112.99683	0.3
113.06010	0.4
123.04417	1.3
123.08052	0.5
127.03897	1.3
129.05449	13.7
133.10143	0.3
135.11635	0.4
137.05939	0.5
137.13237	2.3
145.04907	0.5
147.06470	4.7
151.03812	0.4
151.14755	1.4
161.13184	0.4
164.09186	0.5
169.15837	64.5
179.14220	0.7
197.15323	100.0
211.33095	0.3
215.16367	32.0
255.08418	0.4
273.09830	0.5
326.14166	0.5
377.22745	0.7
378.23114	1.8
540.28430	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.5
54.81783	0.5
55.01850	0.5
55.05487	0.5
57.03421	0.6
67.04545	0.6
69.03410	1.3
79.05478	1.1
81.07027	1.4
85.02888	6.8
91.05460	12.9
94.04170	0.9
95.04949	4.3
97.02876	1.2
97.37782	0.6
101.30585	0.6
103.05458	1.3
105.07021	2.5
107.04917	3.0
109.06503	2.4
117.06968	1.0
119.04913	14.7
121.06468	3.3
122.03632	3.1
123.04409	1.1
127.03853	0.8
127.64811	0.6
128.06166	1.3
129.06976	12.0
131.04884	4.3
131.08533	3.7
133.06480	1.0
135.08017	3.8
136.05183	0.9
137.05954	69.1
141.06969	1.3
143.04868	0.8
144.97826	0.6
145.04990	0.8
145.06474	3.4
147.04367	2.3
147.08031	0.7
149.05960	10.1
151.03899	2.6
151.07520	75.8
157.06490	10.1
158.07228	0.9
159.08031	2.3
161.05936	9.5
161.09566	3.0
163.07500	17.6
163.08754	1.2
165.06995	2.9
165.09061	3.9
167.08502	9.1
169.06421	1.0
174.06732	8.4
175.07515	7.0
177.09116	5.9
178.07727	1.3
179.08507	0.9
181.06523	0.6
181.10074	1.1
182.07181	0.6
189.09071	33.6
191.10519	0.6
193.06500	4.5
193.10075	4.5
194.07304	1.0
195.08017	20.0
195.09836	0.6
196.08723	0.8
197.05939	1.1
197.09615	0.7
198.60977	0.6
201.08998	3.2
203.08600	1.0
205.06404	0.7
207.08134	0.7
207.10146	3.2
209.09586	3.6
210.06741	1.4
211.07494	1.3
212.08327	4.2
219.10123	15.5
221.06026	6.1
221.09532	8.7
223.07513	8.9
224.08263	1.3
225.08989	6.6
227.10609	27.1
231.08112	0.8
234.06642	0.8
235.11130	0.9
237.08975	2.6
238.06145	2.8
238.09950	0.8
239.10539	0.8
240.07793	2.5
241.12039	0.7
249.08986	4.6
252.07886	0.7
253.08530	10.8
253.12144	13.4
255.10097	24.5
256.10632	0.9
267.10025	4.0
269.07971	2.9
269.11691	0.6
270.08679	1.1
272.10309	3.0
274.07425	0.8
281.11661	4.1
284.10315	2.4
285.11172	17.7
287.12720	38.9
299.12579	1.1
301.14215	1.4
313.14285	25.7
331.15338	100.0
332.15439	1.1
340.20914	0.6
343.15207	0.9
372.63849	0.8
392.75714	0.6
451.27408	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2441
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89568	0.2
52.95851	0.2
53.03921	0.2
55.01852	0.4
56.96552	0.2
57.03413	1.2
59.28408	0.2
61.02888	1.2
69.03410	2.4
71.04951	0.7
73.02886	0.4
79.05447	0.3
81.03387	1.2
81.07026	0.4
83.01305	0.2
85.02888	8.0
87.04467	0.2
88.85448	0.2
91.03947	0.2
91.05441	1.6
92.08717	0.3
93.07030	0.3
95.04965	0.2
97.02868	2.7
97.06487	0.3
99.04414	0.4
101.92455	0.2
105.06980	0.4
107.08576	2.4
109.02824	0.8
109.06457	0.2
115.05431	0.9
117.06975	0.7
127.03896	1.4
128.06151	0.4
129.06039	0.3
129.06979	7.6
131.04880	1.3
131.08540	9.8
133.10175	0.3
135.08020	2.5
136.14259	0.2
136.88551	0.2
137.05945	2.1
137.38904	0.2
141.06969	6.8
143.04865	0.4
143.08531	0.8
144.05696	0.9
145.04929	0.9
145.06419	1.0
146.07246	0.8
148.05179	0.3
151.07545	0.2
157.06458	8.1
158.07240	3.4
159.04396	0.2
159.08025	9.1
160.05127	1.3
161.05975	0.4
161.09518	1.5
162.07680	0.3
163.06087	0.3
163.07497	7.1
169.06421	4.1
169.07617	0.3
170.07214	1.3
172.50238	0.2
173.05995	0.4
174.06717	18.2
175.07518	4.1
176.08223	0.3
180.08647	1.0
181.08566	3.0
186.06744	4.2
187.07541	0.6
188.08263	1.0
189.09062	37.2
190.09349	0.2
191.06992	0.4
191.10599	3.0
199.09668	1.5
201.09070	14.8
207.10080	0.7
219.10120	100.0
220.10406	1.3
237.11203	1.5
261.44482	0.2
331.78711	0.2
495.81152	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50716	0.5
53.95709	0.5
55.01854	0.8
55.07652	0.5
56.64551	0.5
57.03426	1.3
61.02909	0.9
63.76308	0.5
64.50774	0.6
67.05499	0.8
69.03410	3.8
70.06566	3.3
73.02893	0.6
79.05471	1.2
81.03408	1.5
81.07030	2.6
85.02894	16.2
91.05460	13.1
91.11305	0.7
93.07029	1.3
95.04934	3.4
95.08595	1.3
95.31944	0.6
97.02871	4.3
103.05454	1.5
104.23197	0.6
105.07008	3.6
107.04942	4.2
107.08571	1.1
109.02884	0.7
109.06491	3.1
109.10139	1.2
111.04445	0.8
119.04935	11.7
121.06478	3.3
121.10119	0.7
122.03635	3.5
123.04393	0.6
123.08043	0.8
127.03896	1.5
128.06236	0.8
129.06989	8.9
131.04909	4.3
133.06419	2.1
135.08018	2.8
136.05124	1.1
137.05957	57.6
145.06496	1.5
147.04408	0.9
149.05963	9.3
151.03888	1.0
151.07526	58.4
157.06462	7.0
161.05933	7.9
161.09596	1.3
162.06735	0.7
163.06236	1.1
163.07521	17.7
165.05432	2.8
165.06960	2.6
165.09070	3.8
167.08514	8.3
174.06714	4.6
175.07524	4.1
177.05527	0.7
177.07005	0.8
177.09074	7.2
178.07715	1.1
179.08466	0.7
181.06453	1.0
189.09076	18.9
192.09300	0.7
193.06436	3.1
193.10117	4.5
194.07243	1.0
195.08026	16.8
197.05931	1.2
197.09689	0.6
202.07631	0.7
203.08696	0.8
207.08246	0.9
207.10144	3.3
209.09602	1.6
210.06763	1.5
212.08284	3.1
221.06068	5.1
221.09589	6.0
223.07571	8.5
224.08286	2.7
225.09024	7.4
227.10637	23.9
231.07961	0.7
234.06828	0.9
237.09117	1.6
238.06235	1.2
240.07761	3.0
241.12231	0.7
249.09198	5.1
252.07709	1.0
253.08540	10.9
253.12138	11.2
255.06506	0.7
255.07224	0.9
255.10109	19.3
267.10150	5.8
269.08057	3.4
269.11621	1.1
270.08826	0.9
272.10501	2.6
281.11664	4.0
284.10623	0.9
285.11151	14.2
287.12711	25.7
299.12781	1.3
313.14270	21.2
314.25284	0.6
331.15341	100.0
343.15231	3.1
349.17874	0.7
458.44147	0.9
467.89706	0.7
535.96204	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.4
55.05479	1.0
56.25372	1.1
57.03425	17.9
58.93394	0.9
59.04980	1.0
61.02908	6.6
62.14081	1.1
62.32183	0.9
62.74745	0.9
66.85193	1.1
67.05495	1.3
68.99770	1.5
69.03415	22.6
69.07051	1.6
71.01328	2.4
71.04958	1.2
72.35711	1.0
73.02896	30.5
77.86546	1.1
79.05475	2.7
81.03412	2.0
81.07043	5.9
85.02885	32.2
91.05453	22.7
93.07018	2.3
95.04945	2.5
95.08584	2.1
97.02871	25.5
99.04420	1.2
100.13074	1.1
103.03946	1.0
103.05444	7.6
105.07031	1.2
107.04935	61.3
109.02848	2.6
109.06480	1.3
109.10104	2.0
111.04427	2.4
115.03916	12.8
117.07001	1.8
119.04916	24.4
120.05717	4.3
121.02863	2.1
121.06484	2.6
121.10144	1.5
122.03623	2.2
123.04414	2.5
123.08001	1.0
127.03892	5.4
129.07042	1.5
131.04889	27.2
131.08560	1.8
133.04955	1.6
133.10110	1.2
135.04390	42.5
135.08006	1.9
136.05165	2.4
137.05945	30.1
141.06921	1.8
145.04916	2.3
145.06483	5.9
147.04359	1.6
149.05945	1.4
151.07524	19.4
151.27943	1.1
155.08597	1.3
157.06488	2.6
159.08046	1.7
159.11780	1.2
160.05083	1.2
161.05914	2.4
163.06207	2.2
163.07504	30.3
165.06973	8.5
167.08501	1.3
175.07547	4.6
177.09070	100.0
183.07993	8.3
187.07497	1.7
189.09029	5.1
193.06444	1.9
195.08046	4.3
211.07486	4.7
221.11705	9.0
223.07596	2.4
225.09125	1.8
227.10620	4.6
229.08543	98.2
241.08450	4.9
253.08539	6.0
255.10080	2.4
265.08563	5.7
267.10150	2.2
285.11209	2.7
287.12878	2.6
295.09866	1.3
311.12469	1.5
313.14328	4.8
320.70557	1.1
325.10745	1.4
331.15359	14.6
343.15106	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.238
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89262	0.5
51.42945	0.5
54.81719	0.6
55.01846	0.7
67.05488	1.1
67.38689	0.5
71.07726	0.6
76.56295	0.7
79.05455	1.2
81.07047	0.7
88.38684	0.6
91.05455	1.6
93.07008	1.4
95.04941	3.3
95.08586	1.0
105.07008	3.0
107.04932	100.0
121.06533	1.0
131.04907	13.4
133.10022	0.7
133.93892	0.7
137.05937	1.0
147.11678	0.9
151.07498	3.4
175.07498	3.5
199.07507	2.5
207.07990	0.8
223.07480	1.2
238.09874	1.2
239.06860	0.9
253.08527	24.6
254.09360	0.8
256.26251	0.8
265.08643	1.3
269.11682	13.6
311.29398	0.8
354.30417	0.8
359.08206	1.6
359.12665	32.5
372.93732	0.7
403.15335	1.4
540.53687	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	540.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56963	0.1
53.03928	0.2
55.01837	0.2
55.05504	0.3
57.03420	1.1
61.02906	0.4
65.03918	0.2
67.05478	0.4
69.03407	1.7
69.07050	0.2
71.04942	0.2
73.02890	1.2
74.28307	0.2
79.05479	1.5
79.05885	0.2
81.03385	0.7
81.07037	1.4
82.07361	0.2
83.04979	0.2
85.02883	4.3
85.06548	0.2
86.05570	0.2
91.05448	4.6
93.07006	1.2
94.04152	0.4
95.04926	1.0
95.08572	1.4
97.02887	1.6
103.05444	7.7
105.06998	1.1
107.04933	3.2
107.08591	1.2
109.02856	0.3
109.06502	0.7
109.10136	1.0
115.03908	0.4
115.05409	0.9
117.07001	2.2
119.04926	2.8
119.08514	0.4
121.06469	1.2
121.10126	1.1
122.03629	1.7
123.08013	1.0
128.06181	0.8
129.06929	1.7
131.04901	18.1
131.08557	0.4
133.06447	0.8
133.10107	0.3
134.07234	0.3
135.04396	2.3
135.08029	1.3
135.11664	0.2
135.31111	0.2
136.05185	0.5
137.05949	26.3
141.07030	0.2
141.86545	0.2
143.08542	1.0
144.05559	0.2
145.04912	0.4
145.06439	0.9
147.11708	0.2
149.05959	2.1
149.09607	0.4
149.13182	0.6
151.03853	0.3
151.07516	15.6
152.04729	0.2
157.06439	1.2
159.07980	0.2
161.05954	2.8
161.09517	0.3
162.06732	2.6
163.07504	30.8
164.07776	0.2
165.06958	0.9
165.09052	0.8
167.07178	0.2
167.08464	1.6
169.06499	0.2
171.07986	1.0
174.06725	1.1
175.07536	3.5
177.09068	100.0
178.07802	0.7
178.09328	0.4
181.09993	0.2
183.08002	0.3
188.08183	0.2
189.09050	3.6
193.06416	0.8
193.10066	0.4
195.08031	3.0
195.10146	2.7
197.06013	0.2
203.08575	0.3
203.10602	0.4
203.40416	0.2
206.07144	0.2
207.10175	0.4
209.09575	0.4
210.06734	0.4
211.07491	0.3
212.08255	0.3
221.06035	1.3
221.09567	1.5
221.11639	10.4
223.07437	1.3
224.08333	0.4
225.09071	1.2
227.10603	4.8
229.08556	3.8
235.07472	0.3
237.09006	0.8
238.06056	0.3
239.10576	0.3
240.07706	0.4
241.08598	0.3
249.09030	0.7
252.07813	0.3
253.08571	2.5
253.12247	2.1
255.10056	3.4
265.08524	1.2
267.10046	1.3
269.07880	0.4
269.11911	0.2
270.08826	0.3
272.10388	0.2
281.11691	0.7
284.10303	0.3
285.11130	2.4
287.12732	5.2
287.23657	0.2
293.11594	0.3
299.12662	0.9
305.24701	1.2
306.25000	0.4
311.12723	1.5
313.14279	3.5
323.25729	0.8
327.15881	0.2
331.15314	13.8
343.15225	1.7
426.63284	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.2
55.01857	0.1
67.05485	0.2
75.75868	0.1
79.05453	1.0
81.07035	0.5
85.06525	0.1
91.05446	0.2
93.07031	0.2
95.04937	0.9
95.08614	0.1
97.06493	0.1
105.04514	0.1
105.07012	0.4
107.04935	100.0
108.05260	0.2
109.06496	0.2
109.10110	0.1
119.08549	0.2
121.06477	0.5
123.04413	0.5
131.04918	0.3
135.07967	0.2
137.02290	0.8
143.08528	0.1
145.10126	0.1
147.04449	0.1
147.08052	0.1
149.05981	0.7
151.07500	0.1
159.04361	0.2
163.03839	0.1
186.01601	0.1
241.08537	0.1
255.10133	2.4
269.08060	3.4
274.78510	0.1
310.44742	0.1
382.59982	0.1
461.17386	0.1
541.14679	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19571	1.0
55.01859	1.2
55.05490	1.9
55.81589	1.0
57.03425	17.9
59.04987	1.3
60.25518	0.9
61.02909	1.3
61.57976	1.1
62.27536	1.1
65.03927	1.4
67.05475	2.6
69.03069	2.1
69.03411	41.2
69.07042	2.3
70.06557	1.2
71.01324	1.2
71.04970	27.4
73.02897	1.1
75.04475	4.4
79.05475	4.8
81.07046	6.7
83.04958	2.9
85.02366	1.9
85.02886	61.1
87.04446	21.1
91.05455	100.0
92.63776	1.2
93.07019	5.0
95.04945	5.9
95.08578	3.0
97.02867	32.8
99.04461	1.5
100.83988	1.2
105.06971	1.7
106.58325	1.1
107.04935	78.6
107.08561	4.7
109.06506	2.0
109.10138	4.5
111.04365	1.9
115.03885	27.1
119.08594	1.6
121.06460	2.2
123.04423	6.0
127.03832	1.6
129.05447	7.5
131.04938	5.1
133.04944	28.0
145.04951	1.6
145.10092	1.6
147.06461	1.9
163.14740	1.3
173.05928	1.2
186.57843	1.3
191.06963	1.7
215.07182	1.4
229.08537	4.6
289.25058	1.6
307.26794	1.3
377.22772	6.7
378.23132	6.0
384.21790	1.4
508.19366	1.3
539.28143	2.0
540.28748	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	539.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	3.0
53.03922	4.2
55.01861	16.3
55.05498	53.7
57.03428	44.3
57.07063	98.4
59.04996	4.4
67.05491	43.1
69.07029	29.1
71.04987	3.6
71.08612	54.6
77.68983	3.2
79.05468	45.2
81.03382	13.3
81.07036	58.1
83.01312	19.3
83.04969	24.6
83.08601	40.4
85.02871	4.8
85.10161	19.6
85.54181	3.5
89.06008	5.1
89.65662	3.3
91.05471	22.2
93.07011	52.9
95.04933	18.1
95.08581	48.3
95.55029	3.1
97.06507	7.3
97.10174	7.5
104.54057	3.4
105.07004	23.6
107.04934	19.5
107.08576	24.2
109.06483	14.8
109.10146	19.0
117.06946	12.8
119.08541	18.3
121.10130	8.3
123.08065	16.3
131.08540	14.4
135.11676	17.1
145.10114	26.7
163.11147	37.4
189.02393	4.5
209.11728	7.0
283.15341	95.7
313.27277	100.0
460.83621	3.9
521.38190	67.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	540.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.7
55.01857	0.8
57.03426	0.7
61.02909	2.7
65.03927	0.7
67.05484	2.5
69.02282	0.3
69.03414	4.5
71.04965	0.9
72.50143	0.3
73.02895	0.7
81.03399	2.6
85.02888	23.1
87.04440	0.5
91.03878	0.5
93.03348	0.4
95.04947	20.1
97.02872	6.5
99.04419	0.6
105.04471	0.7
109.02849	2.2
110.03642	0.6
121.02833	2.0
121.06468	6.9
123.04404	16.6
125.02335	3.8
127.03904	4.2
137.05971	0.4
138.09138	1.4
140.04662	100.0
145.04933	4.5
155.07008	35.8
163.06006	1.4
165.09164	0.4
167.03391	1.9
167.98505	0.4
171.06551	0.7
173.08047	4.4
174.51492	0.4
180.08655	1.4
181.03365	0.6
181.04932	14.8
199.05986	53.5
269.39127	0.4
370.51749	0.5
389.90869	0.4
452.63458	0.4
468.16687	0.4
491.48154	0.4
559.53473	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.3424
Annotation	Virenamide A
Peak:m/z	Relative Intensity
52.85102	0.8
55.01862	0.9
55.05266	1.3
55.05505	19.7
55.96761	0.9
57.03429	1.7
57.07055	5.5
59.04982	1.7
67.05145	1.6
67.05491	34.9
69.03407	4.0
69.07055	30.2
70.06577	1.3
71.04957	1.8
71.08606	2.5
76.56535	0.9
79.05475	23.8
81.03419	1.2
81.07039	87.0
83.04949	1.3
83.08598	21.4
84.72070	1.2
85.02888	8.9
85.06522	9.0
91.05450	14.0
93.07023	52.8
95.04937	2.1
95.08585	100.0
97.02855	2.3
97.06497	2.5
97.10146	6.5
99.08058	6.5
105.07011	21.9
107.04942	1.2
107.07864	2.2
107.08579	52.8
109.06484	4.7
109.10141	88.1
111.08040	8.0
111.11705	1.4
117.06976	2.2
119.08563	24.5
121.10120	77.1
123.04368	1.7
123.08002	5.5
123.11685	22.0
125.09619	4.9
127.03996	1.0
129.06985	1.3
131.08536	9.6
133.10101	15.8
135.08035	2.3
135.11662	24.0
137.05960	7.5
137.09616	8.1
137.13223	5.9
139.11156	11.2
141.09076	1.5
143.08519	4.6
145.10107	11.5
147.11659	17.4
149.09590	2.2
149.13239	18.2
151.07623	1.2
151.14771	4.6
157.10080	4.6
159.11652	11.5
161.09602	2.5
161.13216	14.6
163.11099	2.4
163.14784	22.5
165.12726	2.1
165.16429	1.2
167.14293	1.7
171.11610	4.0
173.13217	7.7
175.14822	8.8
177.16389	7.3
179.14240	2.4
185.13234	5.1
187.14764	6.9
189.16393	4.0
191.14240	1.1
191.17941	3.8
193.15840	2.1
197.15378	2.0
199.14764	6.4
201.16397	2.3
203.17931	4.0
205.15802	3.7
211.16957	2.1
213.16321	4.1
217.15816	5.6
219.17325	2.6
225.18427	1.6
231.17392	5.0
235.16876	1.7
243.21117	1.9
249.18446	2.2
251.06790	1.1
257.22522	2.2
259.24066	1.8
261.21918	2.3
269.22620	7.4
275.23651	12.8
277.25128	1.6
279.23334	1.4
287.23679	25.8
293.24710	39.1
305.24683	79.8
311.25745	13.1
323.25745	79.4
334.42972	1.3
341.26767	14.1
358.24313	1.2
359.27591	2.3
440.65656	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.2825
Annotation	Unknow
Peak:m/z	Relative Intensity
53.17711	0.8
55.05488	1.2
57.03403	0.9
59.33121	0.7
67.05492	3.1
69.03400	1.2
69.07032	1.9
70.06547	1.5
71.04977	6.2
79.05467	1.9
81.07026	5.3
83.04923	1.0
85.02894	8.4
86.03188	1.3
86.09660	0.8
91.05436	1.0
93.07003	1.3
95.04900	1.0
95.08569	5.6
97.06503	1.1
105.07008	1.6
107.04894	1.3
107.08572	1.2
109.06475	1.0
109.10102	3.6
119.08562	3.3
121.10120	1.6
122.46761	0.9
123.04411	8.6
123.11657	1.6
133.10091	1.1
135.11649	0.9
139.03889	9.9
145.10054	1.0
151.03821	1.2
153.01822	1.8
167.03291	1.2
201.09073	1.3
219.10092	1.5
312.26297	0.9
330.30750	0.9
331.09796	3.3
362.60968	0.9
371.11630	0.9
377.22879	100.0
429.11682	0.8
521.30316	1.7
539.10431	4.2
539.27905	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	15.4
57.03444	4.7
57.06813	4.8
57.07068	89.2
61.02899	5.5
67.05486	21.3
69.07051	21.7
71.08612	53.5
81.07037	40.8
83.08594	15.8
85.02863	5.0
85.10188	31.5
87.22339	3.5
93.07058	3.5
95.08583	44.6
97.10154	16.6
109.10128	20.5
120.26097	3.9
123.11678	8.6
141.28551	3.6
262.09943	4.0
267.26773	34.6
341.30417	100.0
359.31473	16.5
367.17816	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	539.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76793	0.7
55.01854	0.8
61.94724	0.8
67.05487	1.6
68.90241	1.0
69.07038	1.6
71.50935	0.8
76.56197	0.9
79.05463	2.1
81.07048	4.5
86.09680	4.1
88.46640	0.9
91.05457	5.5
93.07008	4.7
95.04964	1.5
95.08565	3.6
103.05439	1.5
105.07007	5.0
107.04933	27.1
107.08587	2.1
109.06514	1.3
117.06969	1.0
119.08540	2.3
121.02834	7.4
121.06454	8.5
121.10158	1.4
124.99973	1.9
131.04901	14.5
131.08585	1.0
133.10059	1.2
135.04349	1.1
137.05959	4.5
139.07559	1.1
143.08586	1.0
144.05704	1.7
145.06450	1.3
147.04373	1.6
151.07529	15.0
153.01810	13.9
157.10135	1.0
159.04381	1.0
178.07700	1.5
179.08595	1.7
181.06520	1.0
183.08057	1.1
184.07329	10.2
185.07668	1.0
189.47581	1.0
203.03342	8.8
207.08052	3.7
225.09058	6.7
229.04958	5.4
241.04938	1.2
242.05684	36.0
253.08490	8.6
257.04379	59.5
269.04379	5.5
270.05170	2.1
285.03857	12.9
286.04971	1.3
287.05426	100.0
389.02579	1.0
456.82639	1.0
538.30530	2.0
539.13257	45.0
539.21436	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	538.2855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81495	3.0
55.01879	2.4
55.05497	15.6
57.03415	17.6
60.90794	2.3
61.02910	4.7
61.15765	2.1
63.00364	2.2
67.05492	24.0
69.03422	23.4
69.03756	2.0
69.05069	2.4
69.07056	18.5
71.04977	11.2
73.02909	20.9
79.05467	10.7
81.03403	3.4
81.07040	35.9
83.04971	34.6
83.08600	16.2
84.40528	2.2
85.02887	39.0
85.06529	11.1
87.04411	2.7
91.05458	15.9
93.07030	28.1
95.04951	60.4
95.08582	24.7
97.02875	22.7
97.06522	26.6
99.04402	10.7
100.20769	2.4
105.07023	47.0
107.08578	59.5
109.02876	2.6
109.06512	63.4
109.10144	53.5
111.08085	13.3
115.03912	10.7
115.07550	3.9
119.08570	32.7
121.06464	3.1
121.10114	45.2
123.08054	11.3
123.11693	16.4
124.96660	2.3
125.09582	6.3
127.03886	4.3
129.06934	3.8
131.08542	40.6
133.06429	2.8
133.10110	98.8
134.84305	2.3
135.08009	10.1
135.11713	21.8
136.31323	2.5
137.09520	2.5
139.11145	12.8
143.08464	3.3
145.10132	23.8
147.11688	38.6
149.09595	5.4
149.13257	26.7
151.11166	17.2
153.09081	26.7
158.10910	12.4
163.14795	3.6
165.12692	5.7
167.14275	10.7
173.13228	85.5
175.14763	22.0
189.60721	2.4
191.14301	70.0
209.11980	2.4
209.15353	100.0
227.16379	63.6
243.10216	3.8
330.96289	2.8
404.00412	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	538.2131
Annotation	Unknow
Peak:m/z	Relative Intensity
51.03783	1.5
53.03933	7.5
53.14379	1.4
55.01861	6.6
55.05494	3.4
57.03425	3.2
57.07069	2.8
58.75970	1.6
61.02909	7.9
67.05503	12.7
69.03411	25.3
70.06554	3.4
71.04981	13.0
72.89466	1.4
73.02898	4.0
79.05502	11.8
81.03410	19.2
81.07028	2.6
83.04956	3.1
84.08127	1.9
85.02895	47.8
85.06528	59.1
91.03901	1.8
91.05450	10.7
93.07028	14.4
95.08593	2.0
97.02872	18.7
97.06509	2.5
99.04416	7.7
101.02291	6.5
103.05463	3.8
105.01855	15.9
105.07008	9.9
107.04922	6.8
107.08592	16.0
109.02848	14.8
109.06516	3.2
111.04428	7.7
117.07007	2.2
119.08524	11.7
120.08102	1.9
121.06457	7.9
121.10135	11.8
123.04427	1.9
125.05962	6.5
127.03887	29.2
129.06950	2.4
131.08539	50.5
133.10089	2.6
135.04446	2.1
135.08018	3.2
135.11671	3.2
137.05986	3.3
137.09654	2.2
145.04974	6.4
145.10103	21.6
147.04396	7.7
147.08006	3.7
148.04749	1.6
149.05974	1.9
149.09604	49.0
151.02336	2.3
163.07416	5.5
163.11201	11.9
165.09071	9.4
167.07021	2.1
167.10648	22.2
169.01401	2.7
173.09592	8.0
191.10638	44.3
205.03433	4.0
209.11694	44.2
227.12717	100.0
259.04099	1.9
291.21866	2.2
341.46194	1.6
346.01862	2.0
373.76697	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	536.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05313	3.9
55.05508	73.0
57.03421	9.8
57.07064	28.8
60.72800	4.0
61.02909	10.9
62.63352	4.3
67.05489	75.0
69.03398	5.1
69.07053	93.2
71.08588	7.8
79.05466	34.8
81.07033	100.0
83.04964	7.8
83.08601	63.8
85.02882	8.0
85.10166	5.5
91.05431	18.4
93.07028	46.0
95.04974	4.8
95.08570	87.3
97.06476	5.8
97.10153	43.3
105.07001	26.4
107.08557	43.8
109.10135	49.1
111.08028	4.8
111.11682	9.3
119.08536	8.8
121.10130	61.5
123.11703	8.6
123.20229	5.7
133.10085	7.6
135.11690	37.5
145.10121	8.1
149.13216	18.1
151.14828	5.5
174.34908	5.1
184.07234	7.2
209.00603	4.9
247.24138	32.2
265.25256	76.2
283.26401	8.9
284.33508	4.8
310.54510	5.0
339.28821	99.6
357.29993	43.7
519.77563	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	537.1966
Annotation	Lysidiside P
Peak:m/z	Relative Intensity
53.03918	1.9
54.81807	2.1
55.01859	2.7
55.05507	1.8
57.03429	19.6
58.32664	1.8
61.02895	3.3
64.19695	1.6
67.05482	2.5
68.32304	1.6
69.03408	9.9
69.07048	3.5
70.06580	2.5
71.01325	3.1
71.04977	98.7
73.02898	4.6
75.04443	4.6
78.83021	1.7
79.05488	2.2
81.03368	2.4
81.07035	11.1
83.04956	8.0
85.02888	100.0
86.09673	2.0
87.04408	2.9
91.05465	17.0
93.07010	12.2
94.87884	1.8
95.04945	3.9
95.08569	8.8
97.02892	3.6
97.06500	1.8
101.91763	1.7
105.07016	10.5
107.04936	56.6
107.08556	8.9
109.06562	2.0
109.10145	10.0
111.04410	4.7
115.05355	2.3
119.04920	12.5
119.08554	8.8
121.02812	3.8
121.06451	7.3
121.10088	9.5
123.04420	8.1
123.08008	2.5
123.11657	2.7
125.09599	2.1
128.06168	2.2
129.05469	14.8
131.04922	16.9
131.08521	2.4
133.10097	3.6
135.04372	15.6
135.11700	2.7
137.05959	2.7
145.06386	2.7
145.10046	2.9
147.04388	4.4
147.06490	8.8
147.11662	2.8
159.04349	7.7
165.06963	2.6
177.05434	2.7
179.08472	4.0
183.08058	2.5
197.05994	2.3
205.15344	2.1
205.91116	2.0
207.08003	4.3
211.07593	2.1
221.09532	2.7
225.09042	8.3
229.08539	23.7
239.06976	3.8
241.08533	29.6
253.08533	20.1
265.08542	8.1
267.10019	1.8
271.09476	9.4
295.09637	15.4
303.04828	8.1
303.22974	7.5
307.09851	2.5
309.24323	2.4
319.09540	2.0
321.24207	7.5
337.10709	3.1
391.13904	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	537.3267
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39721	3.1
55.05495	27.5
57.07044	6.4
65.93560	3.8
67.05490	46.7
69.03411	5.4
69.07042	37.0
71.04967	9.0
79.05470	32.3
81.07037	100.0
83.04943	6.4
83.08602	10.2
85.02886	7.4
85.06525	5.6
91.05454	26.3
93.07028	85.5
95.08575	87.3
95.17326	3.9
97.06517	5.2
105.07012	62.5
107.08558	81.3
109.06472	9.9
109.10146	52.3
110.46556	3.9
110.96397	3.9
111.08065	8.8
117.06978	5.4
119.08557	76.3
121.10126	39.2
123.11681	8.6
125.05965	5.1
125.09627	8.6
131.08516	32.0
133.10095	61.3
135.11670	19.2
137.05974	6.7
137.09584	26.9
145.10120	41.5
147.11664	44.1
149.09604	5.9
149.13237	22.8
156.31743	4.6
157.10118	6.5
159.11664	43.0
161.05838	4.4
161.13206	45.1
170.28397	4.8
173.13222	25.3
175.14772	7.8
183.11548	6.8
187.14748	4.8
189.09100	4.3
257.22586	6.1
267.21045	7.6
285.22009	22.5
291.23035	10.0
292.63129	5.0
303.23132	49.0
305.09192	4.5
309.24075	7.0
321.24161	53.2
339.25180	22.8
345.04590	5.1
479.03702	5.8
519.31049	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	538.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.80050	0.3
53.03930	0.3
54.03463	0.4
55.01875	0.6
58.06596	0.4
64.32894	0.4
65.25681	0.4
67.05499	0.4
68.99776	2.7
69.07011	0.4
70.06575	100.0
71.06907	0.6
79.05482	2.5
81.03382	0.5
81.07031	2.6
85.02885	0.5
91.05471	2.3
92.09296	0.6
93.07016	2.3
95.04932	1.4
95.08583	0.5
95.68359	0.4
97.04382	0.4
100.11263	0.4
103.05463	1.8
103.94176	0.4
105.07024	2.4
107.04906	2.7
107.08515	0.5
109.02876	0.4
109.06500	0.5
119.04932	1.6
121.06487	5.5
121.10110	0.4
123.04398	10.6
124.48415	0.4
131.04871	1.8
133.06468	0.9
135.04390	3.8
137.05960	0.6
143.03354	0.6
146.67177	0.4
147.04385	6.0
149.05965	10.5
151.03929	0.4
153.01799	13.8
153.02959	0.8
155.15051	0.4
159.04395	1.4
161.05940	4.1
161.13174	0.5
165.05444	3.2
173.06013	0.4
175.07466	0.8
177.05428	80.5
178.05617	0.4
189.05406	4.9
207.06505	0.5
232.47238	0.4
234.11272	1.9
258.74338	0.4
289.25577	0.4
311.09128	2.8
329.10214	2.2
362.50543	0.4
414.53513	0.4
456.72879	0.4
463.35544	0.5
481.11121	5.4
485.00317	0.5
509.52341	0.4
538.16980	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3345
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05027	0.4
56.31556	0.2
58.06589	0.2
60.07869	0.4
60.08154	8.9
67.05490	1.5
69.07025	0.3
71.07355	3.7
77.98680	0.2
79.05459	0.3
81.07024	1.5
86.09692	45.6
91.05460	0.5
93.07052	0.4
94.08485	0.2
94.80438	0.2
95.04986	0.4
95.08577	0.9
98.98457	3.1
100.05891	0.3
104.10724	3.5
105.07012	0.6
107.51372	0.2
111.80328	0.3
119.08548	0.4
124.99982	32.2
125.64324	0.2
133.10078	0.3
135.11594	0.3
143.00995	0.3
147.11705	0.3
176.60466	0.3
184.07309	100.0
255.06946	0.2
403.05225	0.3
500.31339	1.0
518.32343	6.5
536.35852	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3423
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29581	1.9
53.03944	3.6
55.05509	13.5
57.07074	4.8
67.05489	22.5
69.03420	13.0
69.07054	27.8
71.04995	5.2
75.48189	1.9
76.56413	2.3
79.05482	16.5
79.66869	2.3
81.03430	2.6
81.07040	100.0
82.07364	3.9
83.08611	14.1
85.02892	4.5
85.06522	5.3
91.05462	13.7
93.07030	53.3
95.04941	3.3
95.08600	51.3
96.08907	3.3
97.02853	2.6
97.06527	16.9
97.10171	3.4
105.07026	29.6
107.08583	54.2
108.08939	2.6
109.06525	10.5
109.10148	42.1
110.10502	3.5
111.08048	3.5
119.08573	30.1
121.06494	9.7
121.10133	47.4
123.04440	4.8
123.08053	5.3
123.11687	28.0
125.09608	3.6
127.11240	3.7
131.08589	11.6
133.10132	27.2
135.08110	3.1
135.11678	48.9
137.09604	5.1
137.13281	3.7
139.11195	2.6
145.10097	20.1
147.08080	2.8
147.11652	19.7
149.09573	3.9
149.13231	10.4
151.11134	3.4
157.10139	2.9
159.11671	15.7
161.09628	10.4
161.13240	10.5
163.11116	4.8
163.14841	2.5
165.12672	3.2
173.13222	5.6
175.11166	4.6
175.14870	5.9
177.12753	5.3
177.16455	2.4
181.12213	2.7
185.13275	3.8
187.14856	4.7
201.16292	4.4
211.14868	3.7
243.60707	2.5
257.22665	2.6
265.46936	2.8
267.21082	4.6
285.22064	16.9
303.23123	42.0
319.26312	4.6
320.26791	5.3
321.20450	4.0
321.24207	91.7
337.27493	4.3
338.27753	3.7
339.25238	11.8
349.63580	2.7
442.07364	2.6
509.55551	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	536.3428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	1.9
55.05501	13.1
57.03420	3.7
57.07071	2.9
59.04969	2.7
60.78202	2.2
62.84038	2.0
67.05492	31.5
68.10561	2.0
69.03421	5.2
69.07059	28.9
71.04970	39.5
79.05470	26.9
81.03381	3.3
81.06601	3.3
81.07037	68.2
82.73872	2.4
83.04959	3.7
83.08594	4.3
83.23144	2.3
85.02882	14.5
91.05456	12.6
93.07021	52.5
95.04373	1.9
95.04924	17.1
95.08582	59.6
97.02905	2.4
97.06520	4.2
97.10160	3.9
99.08089	4.0
105.07001	40.0
107.04974	2.9
107.08578	78.3
109.06543	8.0
109.10132	83.7
111.08048	5.8
119.08569	52.1
121.06489	10.0
121.10122	54.7
123.11671	20.3
125.09636	9.8
127.11104	8.2
131.08537	9.3
133.06490	3.2
133.10106	29.3
135.08000	5.3
135.11676	50.7
137.09581	13.0
137.13231	11.8
139.03932	3.0
139.11197	3.7
143.08531	3.6
145.10150	21.0
147.08035	3.8
147.11699	16.2
149.13283	13.2
151.11172	4.0
153.12717	20.8
157.10112	10.5
159.11655	18.9
161.09569	10.1
161.13248	13.8
163.11148	19.1
165.12679	2.7
171.11673	2.7
173.13261	13.0
175.11130	3.7
175.14784	26.7
177.12610	2.7
177.16443	3.3
181.12221	5.5
187.14784	4.8
189.16338	17.7
193.15880	5.3
199.14847	15.9
203.17929	3.2
217.15842	10.9
221.15320	4.1
231.17291	3.8
235.16701	2.8
239.16356	5.5
267.20941	3.0
275.23636	4.4
285.22031	19.9
303.23117	100.0
321.24213	68.2
339.25049	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	536.1975
Annotation	Unknow
Peak:m/z	Relative Intensity
54.15413	0.5
59.92019	0.5
61.02913	0.8
62.56496	0.6
69.03409	3.3
69.65377	0.6
77.38750	0.6
81.03403	1.4
85.02889	11.1
88.80553	0.6
89.03899	4.7
90.97292	0.7
97.02890	3.7
109.02908	1.2
117.03351	15.4
127.03897	1.4
134.03630	1.3
135.04399	2.6
145.02829	58.9
145.04900	2.9
149.05956	8.2
163.03871	4.9
177.05431	100.0
195.06497	30.1
219.27353	0.7
219.66548	0.8
291.28076	0.6
342.60614	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.3338
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.9
56.05029	0.5
57.03414	0.4
58.06577	0.8
58.48233	0.4
60.08151	21.2
64.88591	0.4
67.05486	4.7
71.07358	7.4
79.05479	2.7
81.07049	3.9
86.09689	72.5
88.19490	0.6
91.05465	0.9
92.08711	0.9
92.63590	0.5
93.07007	3.1
95.04950	0.6
95.08595	3.8
98.98457	4.2
104.10725	99.1
105.07038	0.6
107.08569	1.1
119.08586	1.0
121.10154	0.6
124.99979	43.0
143.01009	0.5
145.10031	0.6
163.01694	0.6
184.07304	100.0
185.07619	0.7
189.99202	0.5
500.31155	4.3
518.32294	43.3
519.32715	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.9
55.01869	1.8
55.05487	0.3
56.24794	0.2
56.47694	0.2
57.03415	1.4
58.32221	0.2
59.04980	0.9
61.02913	1.5
67.05476	0.5
68.99771	1.5
69.03070	0.3
69.03416	7.2
69.07052	0.2
71.04971	1.8
73.02898	1.4
79.05473	0.3
81.03397	6.6
81.07026	1.4
83.04959	0.3
85.02886	16.7
85.06519	0.2
87.00809	6.3
87.04465	0.4
87.77463	0.2
91.03922	0.4
91.05449	1.1
92.09274	0.4
93.07018	0.5
95.04943	0.9
95.08572	0.4
97.02865	5.2
97.06495	0.2
99.04440	3.0
103.03933	1.0
105.01846	3.3
105.03364	0.4
105.06992	0.4
107.04897	0.4
107.08578	0.8
108.04456	0.3
109.02862	5.0
109.10161	0.5
115.05463	0.3
117.01810	0.5
119.08579	0.4
121.06474	2.3
121.10096	0.4
123.04402	100.0
126.05475	0.3
127.03880	7.4
129.01808	1.4
129.05501	0.2
129.60249	0.2
131.04817	0.2
133.10060	0.5
135.04378	0.4
137.05948	1.4
137.09680	0.2
143.04907	1.0
145.04913	2.7
147.04388	1.0
149.05954	8.1
159.02864	3.1
161.05954	3.5
165.05479	0.2
173.05878	0.5
177.53853	0.3
185.06042	0.3
189.03963	1.5
189.05473	0.3
231.04930	1.6
239.06973	0.9
248.07719	0.3
269.07971	2.4
271.09579	19.4
283.09570	0.4
295.09598	3.3
303.04843	0.2
304.05222	0.2
312.72006	0.3
313.10626	3.1
321.24097	0.3
326.43198	0.2
337.10596	1.7
361.10800	0.5
379.11691	0.5
402.40918	0.2
483.12720	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1974
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.3
55.01868	0.4
57.03436	1.3
61.02916	2.0
61.24831	0.2
63.02346	0.3
69.03416	3.3
70.06589	0.2
71.05009	0.3
73.02893	0.4
81.03394	1.5
81.61612	0.2
84.08141	0.3
85.02895	13.2
87.04470	0.3
89.03908	4.0
91.03951	0.4
91.05469	0.4
95.04920	0.2
97.02883	4.6
99.04449	1.0
107.04938	0.2
109.02859	1.2
117.03364	15.7
119.04955	0.2
121.06512	0.3
125.05911	0.2
127.03892	2.6
130.15898	0.3
134.03621	1.6
135.04385	3.1
137.05984	0.3
145.02834	61.2
145.04880	2.7
147.04430	0.8
149.05960	8.6
153.05434	0.2
162.03091	0.9
163.03874	4.8
163.05992	0.9
166.70995	0.2
177.05438	100.0
178.05742	0.3
180.08670	0.3
186.05466	0.3
195.06502	34.6
284.00455	0.2
287.92133	0.2
306.08887	0.2
380.86868	0.2
440.72003	0.2
458.73288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	536.1607
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
54.87319	0.3
55.01854	1.2
57.03436	0.4
61.02912	0.6
69.03414	1.4
72.41593	0.3
73.02893	0.3
81.03408	0.5
85.02888	4.8
89.03899	1.7
91.05448	0.4
92.09290	0.5
95.01311	2.5
97.02871	1.5
101.02351	0.5
103.05423	0.7
107.04939	0.8
111.04434	6.1
115.05418	0.5
117.03366	3.0
118.83578	0.3
120.08083	3.1
121.02812	0.7
123.04429	2.8
131.04907	1.5
135.04395	14.9
139.03886	21.3
141.01794	0.7
143.04900	0.5
145.02835	10.1
147.04373	9.1
149.02319	5.8
149.05995	1.6
151.03764	0.5
159.04349	1.5
161.05930	0.8
163.03871	100.0
164.04373	0.5
165.05484	0.7
166.08609	0.5
168.38509	0.4
173.05963	0.6
175.03857	2.9
177.01791	7.7
177.03305	0.5
177.04002	0.7
177.05328	3.4
178.04959	2.7
181.04932	6.4
183.04465	0.4
185.06029	0.3
187.03839	3.6
189.05431	2.9
191.03453	0.6
193.05098	0.4
195.02821	0.5
201.05461	0.8
203.03363	76.4
205.04947	8.8
206.04456	2.7
213.05484	1.4
215.03337	10.8
217.04840	0.7
219.02975	0.8
221.04404	0.8
229.04948	2.4
231.02850	10.5
231.06392	0.5
233.04424	6.9
247.06012	0.4
251.05347	0.4
253.43121	0.3
257.04422	0.8
261.03842	7.6
275.02573	0.4
275.05560	1.8
279.04922	11.7
291.04932	11.4
303.04974	1.9
306.31818	0.3
321.06024	5.9
339.07047	41.4
357.07980	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3472
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.9
53.91986	0.4
55.05500	11.2
57.03418	0.6
57.07068	3.9
59.01018	0.5
61.02932	0.6
65.03942	0.6
67.05485	19.9
69.03426	0.7
69.07049	19.4
71.04974	5.2
71.92629	0.5
73.60229	0.6
79.05470	14.3
81.07034	100.0
82.07379	0.7
83.04958	2.5
83.08597	9.4
85.02886	2.7
85.06528	12.9
91.05455	5.4
93.07019	35.3
95.04957	2.5
95.08578	68.3
97.06492	5.4
97.10147	5.8
99.08046	0.9
101.05995	1.0
105.07014	8.3
107.08571	36.4
107.67847	0.5
109.06510	7.2
109.10137	44.6
111.08071	2.9
111.11700	2.5
113.05984	0.5
115.07572	0.7
117.06982	1.1
119.08559	10.8
121.06543	0.9
121.10115	29.2
122.63271	0.6
123.08025	4.9
123.11678	22.1
125.09637	1.0
125.13288	0.6
127.07513	7.8
127.11176	0.8
131.08592	2.3
133.10091	7.2
135.08037	2.2
135.11658	26.6
137.05901	0.6
137.09601	2.3
137.13235	11.1
139.11115	1.0
141.09062	0.9
143.08540	0.8
144.20679	0.5
145.10094	4.2
147.11671	6.9
149.09589	2.5
149.13232	15.5
151.11137	3.8
151.14801	0.8
153.12694	0.7
157.10051	0.7
159.11650	5.0
161.13246	4.6
163.11166	2.2
163.14766	4.3
165.12755	3.3
167.10713	1.0
173.13249	2.9
175.14766	1.3
177.12720	2.6
177.16267	4.1
179.14224	1.3
179.17894	0.8
181.12189	1.3
187.14772	1.3
189.16359	0.9
191.14360	1.0
195.13742	2.6
201.16486	0.6
203.17975	2.3
205.19461	2.0
209.15324	0.7
215.17932	0.9
221.18887	0.6
223.16939	1.1
227.17758	0.7
237.18425	0.9
263.19974	1.1
281.21176	0.6
283.24152	1.1
291.26816	1.0
301.25150	3.4
319.26233	73.6
320.26669	0.9
337.27283	31.3
355.28448	1.2
373.29288	0.6
387.75500	0.6
389.93155	0.5
418.87534	0.6
539.67004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.3475
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.8
55.05503	14.3
57.07062	5.4
59.04997	0.9
62.62115	0.7
65.03899	0.7
67.05492	21.3
69.03410	1.3
69.07054	25.2
69.73435	0.5
71.04966	3.5
71.08612	1.2
79.05475	15.8
81.07037	100.0
82.07374	0.9
83.04941	1.6
83.08609	12.4
85.02887	2.6
85.06528	11.8
89.03198	0.7
91.05454	5.2
91.12128	0.7
93.07023	30.6
95.04955	1.6
95.08584	72.0
97.06523	6.1
97.10133	5.8
99.04452	1.3
99.08036	0.9
101.05981	1.3
105.07014	15.5
107.08573	40.5
109.06507	10.3
109.10135	46.5
111.08065	1.4
111.11697	2.6
115.07552	0.9
119.08566	11.9
121.06490	1.4
121.10122	25.0
123.08060	6.1
123.11687	26.0
125.09629	2.9
127.07486	5.0
131.08549	3.3
133.10097	10.7
135.08025	2.8
135.11665	23.0
137.05968	1.2
137.09590	4.1
137.13211	9.5
139.07518	0.8
141.09065	1.1
145.10097	3.8
147.11679	15.6
149.09599	4.0
149.13237	15.5
151.11151	7.8
151.14795	1.4
153.09077	1.2
153.12686	1.0
156.68170	0.6
157.10130	0.9
159.11629	6.6
161.13222	6.2
163.11182	0.8
163.14796	5.6
165.12689	5.7
167.10762	0.6
173.13200	3.0
175.11055	0.9
175.14824	2.8
177.12744	3.3
177.16391	3.5
179.14209	1.2
179.17961	0.9
181.12238	1.3
185.13220	0.7
187.14818	2.4
189.16336	1.1
191.14285	3.0
191.17923	0.7
193.12247	4.4
195.13809	3.1
203.17894	1.5
205.19495	1.0
207.13681	0.8
209.15459	1.4
215.17981	0.8
217.19421	1.2
227.17828	1.6
229.14316	1.5
237.18448	0.9
263.19995	0.9
273.25577	0.9
283.24091	2.9
291.26822	1.1
301.25146	7.0
319.26239	56.5
320.26544	0.9
337.27307	44.7
355.28174	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	535.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	13.6
56.96544	5.2
57.03428	4.2
57.07051	4.0
67.05498	54.9
69.03423	24.5
69.07046	22.4
70.06624	3.4
71.04607	5.3
71.04974	91.0
71.54073	3.2
78.89143	3.2
79.05465	18.1
81.07036	58.1
83.04967	4.8
83.08587	4.8
85.02886	20.7
85.06532	4.1
86.09644	4.1
91.05441	28.1
93.07024	45.7
95.04940	44.0
95.08591	36.9
97.06507	8.0
99.04426	6.2
99.08060	6.9
105.07004	54.8
107.04958	4.6
107.08591	50.1
109.06491	14.6
109.10143	85.8
111.08064	6.8
119.08560	50.5
121.06474	4.5
121.10120	36.3
123.08044	24.0
123.11678	19.2
125.05982	4.7
125.09631	13.3
127.11184	100.0
131.08510	23.0
133.10129	46.4
135.08022	7.8
135.11687	6.3
137.09566	8.2
143.08583	6.2
145.10123	39.6
147.11667	57.7
149.09572	7.4
149.13252	14.0
151.11157	21.2
155.10663	60.1
157.10117	17.7
159.11742	28.7
161.09621	8.3
163.11115	4.0
171.11636	13.8
173.13220	23.5
175.14789	4.8
183.11575	3.5
187.14787	21.1
191.06940	3.9
191.14220	16.7
197.13333	4.9
201.16409	5.9
209.15311	7.7
215.14357	16.5
233.15477	11.8
255.21065	4.7
273.22110	16.4
283.20477	15.5
287.05566	5.8
301.21509	68.1
319.22665	84.0
337.23703	32.3
375.95389	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.2876
Annotation	Unknow
Peak:m/z	Relative Intensity
51.86399	0.4
55.01871	0.4
55.05497	0.9
57.03428	1.8
61.39820	0.4
63.16808	0.4
67.05489	2.2
69.07059	0.5
71.04971	0.7
76.56006	0.4
79.05475	2.2
80.42453	0.4
81.03408	3.1
81.07050	3.0
83.08614	0.9
85.02892	2.9
86.09699	0.8
91.05469	3.5
93.07036	2.2
95.04950	2.8
95.08586	1.7
104.10699	0.4
105.07017	2.2
109.06530	0.7
111.08102	0.6
119.08569	2.1
119.97682	0.4
121.10108	0.7
129.07030	0.8
130.43280	0.5
133.10114	1.7
147.11664	0.8
157.10091	1.8
175.11209	0.8
184.07335	3.4
193.12190	0.9
221.33221	0.4
227.08707	0.5
251.12471	8.0
285.17014	0.7
307.15088	8.8
307.18350	0.6
391.13690	0.5
535.28723	100.0
535.35699	6.6
536.28906	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	535.1445
Annotation	6,8-Di-C-beta-D-arabinopyranosylapigenin
Peak:m/z	Relative Intensity
53.03927	1.6
55.05502	14.1
57.03429	2.0
59.04992	46.2
67.05508	14.7
69.03420	10.9
69.07054	10.0
71.04974	6.9
79.05470	8.8
81.07046	37.7
83.04965	100.0
83.08588	2.0
85.02889	71.6
87.04434	13.7
89.81339	1.9
91.05452	8.4
91.38329	1.5
93.07040	17.0
95.04919	2.2
95.08580	19.9
97.10129	2.8
101.05983	2.4
105.07024	12.4
107.08563	19.9
109.06525	2.3
109.10148	23.2
110.10516	2.2
111.04421	51.7
114.26202	1.7
117.07044	2.0
119.08580	11.2
120.94319	1.7
121.06499	3.5
121.10123	14.8
123.04434	3.0
123.11668	12.6
125.05949	9.0
125.09553	2.0
129.05460	14.0
131.08533	6.6
133.10065	12.6
135.11679	8.2
139.03818	3.4
145.10106	4.2
147.11661	6.8
149.13251	3.7
153.05429	14.3
153.09062	2.7
157.10091	7.3
158.19398	1.8
159.11679	9.0
161.09596	3.1
173.13237	2.7
175.14810	2.4
191.14276	3.1
191.17908	1.8
197.08067	9.8
201.16452	2.4
215.09090	8.2
219.17502	2.1
233.10156	3.0
259.05719	1.9
273.22037	2.6
301.21494	7.5
302.21802	2.0
319.22672	7.3
427.28723	2.6
445.29111	4.0
446.29608	4.3
463.30161	2.1
464.30960	2.0
563.46570	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	535.2018
Annotation	Syringin-4-O-beta-glucoside
Peak:m/z	Relative Intensity
55.01860	0.3
55.05510	0.5
55.10100	0.2
57.03419	1.3
57.07075	3.3
61.02895	1.3
66.18352	0.3
67.05492	1.1
68.99766	0.4
69.03410	2.7
71.04965	0.7
73.02897	0.4
81.03393	1.6
81.07037	0.6
85.02890	10.6
85.06534	2.7
91.03944	0.4
91.05466	0.4
93.07009	0.7
95.08594	0.5
97.02857	3.8
105.06979	0.7
107.08594	0.6
109.02856	1.7
109.06487	2.2
109.10168	0.5
111.04443	0.4
119.08544	0.4
123.04406	14.4
123.08022	1.1
127.03893	4.5
137.05956	0.6
137.09581	0.4
139.03879	8.7
145.04907	1.4
147.04364	1.3
150.82574	0.3
151.03880	20.6
151.07593	0.4
153.01804	0.6
153.05435	1.9
155.03363	46.6
163.03860	0.4
165.05452	1.6
165.09074	3.7
169.04918	3.3
169.08740	0.4
175.03902	0.5
175.07541	0.7
179.03357	0.4
189.09131	0.4
193.08571	12.0
201.76396	0.4
205.08504	0.6
211.09621	100.0
212.09930	0.5
216.66515	0.3
217.08568	1.3
223.09596	1.5
235.09595	3.3
246.75101	0.3
253.10728	2.3
271.09589	0.4
275.80286	0.3
277.10651	2.4
289.10657	1.3
301.10629	0.6
307.11508	0.4
337.12735	0.4
373.14877	2.4
396.05328	0.4
402.22720	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3642
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.0
55.05509	22.8
57.03422	7.5
57.07066	14.9
58.56181	1.2
61.02915	8.6
67.05494	87.9
69.07053	23.0
71.04985	2.1
71.08605	5.8
73.02921	1.7
75.74198	1.3
79.05474	25.1
81.07040	100.0
83.04974	1.4
83.08594	16.2
85.02884	5.4
85.06514	2.5
91.05452	19.4
92.09321	4.7
93.07026	32.8
95.08585	83.6
97.02872	2.5
97.06499	7.4
97.10143	12.9
99.08048	2.3
104.68657	1.2
105.07017	15.4
107.08569	21.9
109.06519	1.3
109.10139	41.2
111.08064	2.2
111.11737	1.7
113.09644	1.3
119.08549	14.3
121.10126	23.7
123.11669	14.3
125.09604	1.2
125.13189	1.5
131.08546	1.8
133.10098	15.0
135.11681	11.9
137.13239	8.2
139.11057	1.5
141.12691	1.3
145.10080	2.1
147.11656	11.7
147.80836	1.2
149.13231	6.2
151.14812	2.8
161.13229	12.2
163.14803	8.8
165.16368	2.5
175.14787	8.9
179.17970	2.8
184.07416	1.3
189.16292	2.4
204.19583	1.3
245.22606	36.0
263.23648	60.2
334.89383	1.3
337.27301	28.8
354.58124	1.3
355.28415	3.0
381.94711	1.6
456.88330	1.3
464.08673	1.7
533.34186	6.9
534.34778	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3634
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.0
53.03939	1.7
55.01863	1.0
55.05235	0.8
55.05505	24.7
55.70448	0.6
57.03424	8.7
57.07061	12.7
60.08169	0.8
61.02912	7.3
65.03931	1.1
67.05491	85.2
69.03410	3.0
69.07055	31.9
71.04958	1.4
71.08617	5.3
73.02898	3.2
75.04460	0.6
79.05474	21.4
81.03414	0.8
81.07038	100.0
82.85105	0.7
83.04973	1.4
83.08603	20.7
85.02869	7.0
85.06506	1.3
85.10174	3.1
86.09691	3.8
91.03921	3.5
91.05457	18.2
93.07024	34.1
95.04958	1.5
95.08585	84.7
97.02897	3.4
97.06510	7.7
97.10156	14.3
99.04411	0.8
99.08085	3.9
104.10702	5.2
105.07006	14.4
107.08572	21.6
109.06483	1.3
109.10143	44.7
111.08058	3.3
111.11708	1.3
113.09637	1.2
119.08550	16.3
121.10118	23.3
123.08012	1.0
123.10885	1.3
123.11697	18.6
124.99999	2.9
125.09648	1.7
127.03882	1.1
131.08556	1.4
133.10103	20.1
135.11694	9.4
137.09592	1.7
137.13226	7.2
141.12813	0.8
145.10118	1.3
147.11659	12.8
149.13243	9.6
151.14809	2.9
155.14285	1.5
159.11697	0.8
161.13216	14.1
163.14803	7.8
165.12810	1.5
165.16370	5.0
175.14752	7.5
177.16420	1.2
179.17912	4.4
184.07321	5.4
189.16379	3.6
203.17894	1.4
212.89342	0.7
245.22577	41.3
263.23642	51.5
337.27325	41.1
355.24548	0.7
355.28311	6.7
499.32574	1.0
534.35181	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	4.1
55.05491	16.8
57.03423	2.6
59.04986	41.6
61.92071	2.5
62.31935	2.1
64.91770	2.2
65.46786	2.1
67.05479	33.4
69.03402	9.9
69.07051	21.1
71.04952	11.5
79.05457	19.5
79.96781	2.8
81.07036	90.8
83.04960	100.0
83.08585	5.5
85.02885	68.5
87.04424	13.8
91.05438	17.3
93.07023	36.8
95.04939	5.9
95.08570	42.8
97.02906	3.7
97.06503	5.0
97.10127	3.1
105.07018	37.8
107.04942	3.4
107.08574	35.5
109.06481	10.3
109.10134	57.3
111.04417	45.4
111.08047	2.8
114.46365	2.7
119.08536	31.4
121.06458	2.9
121.10109	31.9
123.11681	33.9
125.05968	33.0
125.09594	5.1
127.03865	3.6
127.11149	3.5
129.05453	11.6
131.08546	16.5
133.06451	3.2
133.10104	31.0
135.08034	5.9
135.11662	20.8
137.05942	4.5
137.09567	3.5
141.91133	3.0
143.08572	4.1
145.10121	20.0
147.11653	15.8
149.09593	5.5
149.13235	3.4
151.11186	4.5
153.05441	39.6
153.09053	5.2
156.09296	2.7
157.10103	6.2
159.11650	15.3
161.13158	3.1
167.07002	3.0
171.11685	4.5
173.13234	11.1
175.11131	3.7
175.14807	3.5
183.11447	3.1
187.13313	3.1
187.14848	5.3
191.14238	6.0
191.17967	4.4
195.10075	5.8
197.08072	4.3
199.14758	3.7
201.16365	4.3
209.28885	2.8
215.14320	3.8
219.17465	4.7
237.18417	3.9
266.65451	3.1
273.21964	3.7
275.16257	3.3
277.17896	5.0
283.20444	3.8
301.21436	25.6
303.59482	3.2
319.22577	12.3
329.67294	3.1
337.23688	3.5
373.09943	3.1
401.83417	3.2
409.27112	3.8
427.28262	12.5
445.29413	35.5
463.30658	25.2
470.42685	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	534.3268
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00269	1.0
53.03924	1.1
55.01857	1.9
55.05502	9.8
57.03426	14.9
57.07063	1.2
58.38025	0.9
58.64038	0.8
59.04981	1.5
61.02916	1.3
62.91979	0.8
67.05490	18.4
69.03411	13.0
69.07047	13.3
71.01302	0.9
71.04975	100.0
73.02888	1.9
75.04440	2.2
76.56120	1.1
79.05455	6.0
81.03398	1.7
81.07029	25.4
81.50790	1.1
83.04959	9.9
83.08590	1.5
85.02887	92.7
85.06511	1.7
86.03206	1.4
87.04478	1.3
91.05468	8.2
91.39808	0.9
91.67411	1.0
93.07021	17.7
93.33872	1.1
95.04922	6.7
95.08590	22.9
95.47125	1.0
97.02856	4.8
97.06495	4.2
97.10104	1.2
99.04401	2.2
99.08031	2.3
99.17124	1.0
105.06998	19.6
107.04937	1.0
107.08572	20.5
109.06492	4.9
109.10139	49.0
111.04417	4.8
111.08067	1.1
111.11687	1.8
117.06979	4.9
119.08563	17.4
121.06457	5.9
121.09269	1.9
121.10118	37.7
123.08029	5.4
123.11698	7.1
125.09583	8.0
127.03066	1.2
127.03897	4.3
127.07485	1.4
127.11149	4.3
129.05455	24.8
129.06956	1.7
131.08517	8.2
133.10091	26.0
135.07993	2.3
135.11684	13.3
137.09607	18.1
137.13237	2.0
139.11165	9.4
142.07770	1.1
143.08528	6.2
145.04971	1.9
145.10085	15.6
147.04427	1.0
147.06493	13.3
147.08008	2.0
147.11653	7.5
149.09595	4.3
149.13193	1.4
151.11229	1.2
153.12785	2.2
155.08466	1.6
155.10587	1.9
156.09225	1.1
157.10112	8.8
159.08043	2.2
159.11653	10.4
160.08870	1.5
161.09587	18.9
161.13142	2.0
163.11139	4.6
164.09151	2.1
165.09084	9.7
169.10042	3.9
171.11632	10.0
173.09676	7.9
173.13214	13.5
175.11163	16.2
175.14754	4.9
177.12628	1.0
179.94576	1.1
181.10052	1.5
182.10851	1.2
185.13237	1.9
187.11198	3.7
187.14813	12.3
189.12613	1.7
191.14352	1.5
197.13231	10.4
201.12569	1.4
203.14322	4.7
211.14734	3.7
213.12831	4.6
213.16342	8.0
215.14249	12.1
219.13699	0.9
229.15723	1.4
231.17354	11.8
233.15227	2.1
241.19547	1.5
251.16415	2.0
255.08537	1.5
255.20981	4.0
265.19415	1.7
273.22012	3.9
283.20526	12.6
301.21558	59.5
319.22629	60.8
337.23669	9.4
408.13626	1.0
552.30035	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07631	2.5
55.05500	16.4
57.07079	2.9
67.05489	23.5
67.69746	3.2
69.03417	20.0
69.07051	20.5
71.04978	45.2
77.01500	2.8
79.05475	15.3
81.07035	58.4
83.04961	5.0
85.02908	14.5
85.06555	4.5
88.85451	3.1
91.05458	14.6
92.08659	9.8
92.64458	3.5
93.07035	41.9
95.04942	19.5
95.08595	43.4
97.06503	6.1
105.07020	45.3
107.08578	49.3
109.06508	7.5
109.10140	45.5
111.08122	4.9
113.09681	2.8
117.07047	4.3
119.08554	35.6
121.06481	7.8
121.10113	38.9
123.08091	5.7
123.11707	12.0
125.09644	20.4
127.07529	4.8
127.11171	14.2
131.08533	23.0
131.49420	3.3
133.10114	50.9
135.08032	6.5
135.11636	27.6
137.06038	4.1
137.09601	23.6
139.07495	3.6
139.11169	18.5
143.08537	6.9
143.10687	6.0
145.10127	29.1
147.08041	4.3
147.11674	23.9
149.09544	3.2
149.13239	4.9
151.11166	16.8
153.12750	4.0
155.10640	5.0
157.10121	16.5
159.11685	29.3
161.09554	32.3
161.13194	5.4
163.11168	6.6
165.09119	4.7
169.10074	6.7
171.11711	19.5
173.09644	14.5
173.13264	28.0
175.11140	33.0
175.14801	5.6
179.10634	4.6
185.13272	3.5
187.14812	19.9
197.13223	19.2
201.16406	4.2
210.77356	3.5
211.14793	3.7
213.12828	4.1
213.16335	18.5
215.14233	22.9
231.17413	18.3
233.15430	5.3
259.20609	4.0
273.22177	14.5
283.20392	23.6
301.21558	77.3
319.22601	100.0
337.23624	89.9
339.11017	3.2
355.24744	7.8
387.96506	3.2
420.90106	3.3
463.29678	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	534.3184
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	1.0
56.05024	0.7
56.25823	0.6
57.91441	0.5
58.06588	1.1
60.08151	20.1
67.05488	3.1
69.07056	0.8
71.07357	9.5
71.08603	0.6
79.05472	2.7
81.07051	3.0
83.04950	1.0
83.08585	0.8
86.09692	70.7
91.05469	3.0
93.07041	3.0
95.04946	1.0
95.08576	2.2
96.71783	0.6
98.98446	4.1
104.10726	100.0
105.07034	2.4
107.08589	1.3
109.10121	0.8
113.48196	0.7
114.74255	0.6
119.08554	0.8
121.10128	0.7
124.99978	39.0
133.10074	0.6
135.11690	0.6
135.94350	0.6
143.00981	0.9
179.14311	0.9
184.07307	89.5
309.05188	0.7
393.34680	0.7
516.30939	4.7
525.42511	0.7
534.31866	34.8
551.65863	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
52.19741	0.2
53.00294	0.2
53.03944	0.3
55.05499	1.6
57.03420	1.1
57.07061	0.2
59.04978	0.2
60.04518	0.3
60.60443	0.1
61.06881	0.2
64.33573	0.2
65.83708	0.1
67.05489	3.7
69.03401	1.8
69.07049	7.0
73.02851	0.2
79.05465	4.3
79.63026	0.2
81.07032	20.7
83.08622	0.3
85.02879	1.2
87.04433	1.6
91.05453	8.0
93.07012	5.1
95.04937	0.3
95.08579	7.0
97.02840	1.4
98.48347	0.2
103.05430	0.4
105.07005	63.0
106.07353	0.2
107.08566	5.2
109.06551	0.2
109.10136	6.0
111.11667	0.2
115.03913	1.5
117.07001	3.5
119.08551	100.0
120.08900	0.8
121.10098	6.1
123.11663	1.7
131.08528	0.3
131.31001	0.2
133.04942	1.5
133.10092	12.3
135.11661	0.4
145.10104	0.9
146.10904	0.8
147.11655	15.5
150.07629	0.8
159.11626	0.3
160.12424	0.9
161.13222	2.5
170.81902	0.2
170.83293	0.2
175.14816	0.9
195.82808	0.2
203.17909	29.5
258.89981	0.2
288.42529	0.2
397.52274	0.2
531.15137	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3445
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.6
61.11234	1.1
65.19598	1.0
67.05476	2.7
69.07046	1.7
69.50507	1.2
81.07047	6.5
93.07044	1.5
95.08585	2.6
107.08597	1.7
230.76706	1.3
321.27673	2.8
369.09512	1.3
383.55878	1.4
407.31281	5.6
473.32523	2.1
533.34393	100.0
534.33936	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	533.3963
Annotation	Unknow
Peak:m/z	Relative Intensity
66.34068	3.0
67.05495	6.7
69.07048	4.4
79.05481	5.6
80.55904	3.4
81.07047	24.0
91.05470	7.0
93.07026	23.1
95.08603	16.8
97.16055	3.2
105.07014	18.6
107.08565	18.5
108.29399	3.1
119.08563	7.6
121.10166	6.2
133.10114	6.4
135.11679	4.9
147.11632	4.7
154.92247	3.3
154.93695	3.3
156.04895	3.1
159.11711	4.2
200.72650	3.5
205.53197	3.6
274.86169	3.2
402.76715	3.6
465.76541	3.4
507.84775	3.7
533.31964	4.9
533.39575	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.2193
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
53.35273	1.6
54.77009	1.5
55.01859	3.0
55.05478	1.5
57.03413	11.3
61.02912	3.5
65.42308	1.5
66.49304	1.7
69.03411	82.7
70.06567	2.0
71.04971	2.1
73.02897	1.9
75.04446	1.8
81.03412	6.9
85.02879	43.2
86.03234	3.3
91.05450	8.7
95.04970	2.0
97.02870	17.6
98.79931	1.6
107.04939	1.9
108.04195	1.8
109.02843	3.2
115.05425	3.2
123.04427	3.0
127.03882	100.0
129.06949	16.2
131.04880	2.5
131.08548	25.1
133.06465	2.0
135.04437	2.3
137.05948	16.1
137.09599	2.2
139.03851	2.6
141.06929	7.5
144.05661	14.7
145.02846	2.7
145.04970	2.5
145.06453	2.0
149.05894	1.8
151.03880	1.7
153.01752	2.2
153.05444	23.4
154.06187	3.5
157.06404	2.2
159.04442	2.4
159.08008	38.8
160.04869	2.5
161.05943	9.4
162.49690	1.7
163.03827	3.9
165.05394	2.7
167.06985	4.0
168.04132	10.4
169.07591	3.5
172.05113	2.1
175.07492	3.2
177.05450	14.6
178.06003	2.2
187.03856	2.0
187.07497	28.6
189.05455	2.5
190.05959	2.0
191.03436	2.3
191.06964	4.2
196.45317	1.7
201.05495	2.3
202.02443	3.5
203.02643	2.5
203.07002	3.2
217.04906	54.9
218.05275	31.8
219.05339	24.3
219.10132	9.8
220.06920	2.4
231.05759	2.1
241.02121	2.0
245.04364	3.4
247.05603	1.9
248.06448	4.4
255.93227	2.0
263.09067	22.1
266.07733	34.5
275.05301	2.1
276.05878	1.9
277.05988	2.8
279.08527	3.7
281.10141	51.2
293.06497	7.4
294.06757	7.6
295.06998	3.8
305.06500	7.3
307.07153	2.5
337.08383	2.6
347.28577	1.7
354.08911	4.2
355.09470	4.7
355.13708	34.8
458.96594	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	534.3187
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39665	0.1
55.05510	0.3
56.05019	0.4
57.03468	0.2
57.38618	0.2
60.08156	10.0
67.05499	0.8
69.07059	0.2
70.06616	0.2
71.07366	3.8
71.18422	0.2
73.74297	0.2
79.05482	0.5
81.07041	0.9
83.04955	0.2
86.09692	44.9
91.05466	0.5
93.07027	0.9
98.94667	0.2
98.98447	3.4
104.10725	7.2
105.07021	0.3
107.08588	0.3
109.10187	0.2
119.08577	0.3
124.99986	34.2
143.01019	0.9
184.07314	100.0
256.88361	0.2
309.10205	0.3
315.41336	0.2
384.56116	0.2
516.30560	1.0
529.29681	0.2
534.31873	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	530.3322
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79292	0.5
51.29194	0.5
52.87046	0.5
53.00267	0.5
53.03924	3.4
55.01866	5.5
55.05502	28.1
57.03426	28.4
57.09099	0.5
59.04985	1.1
60.04504	1.2
63.24380	0.5
65.03921	1.6
67.05492	37.8
69.03416	7.0
69.07056	11.9
71.04979	6.8
74.73567	0.6
77.03931	0.7
79.05472	43.9
80.59864	0.7
81.03397	100.0
81.07035	48.4
81.07396	0.6
81.07537	0.9
83.04965	30.7
83.08601	32.2
85.02890	45.7
85.06512	3.7
91.05460	54.9
93.07018	33.9
95.04945	42.6
95.08586	19.4
97.02859	4.2
97.06485	5.5
97.10140	6.5
99.04427	0.8
99.08052	1.3
105.04498	0.8
105.07010	43.3
107.04926	12.8
107.08584	12.2
109.06503	10.1
109.10140	4.6
111.04411	3.2
111.08067	13.2
113.05994	5.0
115.05428	2.7
115.23138	0.7
116.06157	0.8
117.07018	2.8
119.04897	1.1
119.08559	32.4
121.06472	1.0
121.10110	14.4
123.08036	5.7
123.11668	3.5
125.09631	2.8
127.07504	0.9
128.06189	1.2
129.06978	19.4
131.08542	18.2
133.06473	5.0
133.10094	20.6
137.09586	3.4
142.07762	6.8
145.10065	1.6
147.08046	4.7
147.11662	25.7
149.09587	10.3
151.07434	0.7
157.10101	22.0
165.12711	5.1
165.97993	0.6
173.13213	0.8
175.11148	19.3
193.12210	53.1
211.13258	65.5
267.15860	17.5
285.16904	72.6
363.63379	0.7
367.22507	1.0
382.69406	0.7
385.23752	1.1
456.80890	0.7
459.27597	8.4
477.28406	13.1
495.29434	32.5
495.92737	0.8
509.03488	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	532.3113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.2
55.01873	0.4
55.05502	2.5
57.03410	0.6
57.07063	0.4
61.02911	0.4
67.05495	4.3
69.03403	1.3
69.07053	7.6
73.02903	4.1
79.05475	3.6
81.03388	0.4
81.07034	26.3
83.08617	0.3
85.02889	1.5
87.04466	0.4
91.05457	8.0
93.07017	5.4
95.04947	0.8
95.08576	7.9
97.02855	0.8
103.05418	0.3
105.07011	64.6
107.08578	4.4
109.10139	7.7
111.11724	0.4
117.06983	3.8
119.08555	100.0
121.10118	5.5
123.11634	1.3
131.08537	0.4
133.04956	0.4
133.10100	14.0
135.11642	0.4
145.10066	0.4
146.10881	0.5
147.11668	16.4
150.07674	0.5
159.11595	0.4
160.12450	1.4
161.13199	3.5
175.14789	0.7
182.02289	0.3
184.07326	0.4
203.17923	32.4
209.82982	0.3
246.03285	0.4
286.54648	0.6
349.15286	0.3
458.50897	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	530.332
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34310	1.9
51.33592	2.1
53.03930	4.6
55.01861	17.8
55.05505	41.3
57.03423	25.6
57.21601	2.2
65.03936	3.5
67.05492	100.0
69.07051	26.8
71.04976	4.8
73.02901	5.6
79.05472	51.8
81.03401	15.8
81.07035	81.8
83.04961	17.9
83.08603	21.7
86.09657	3.3
91.05457	41.7
93.07015	63.0
95.04945	16.0
95.08572	26.5
97.02863	2.6
97.06493	11.8
97.10157	16.4
98.07284	3.0
104.10732	4.6
105.07002	21.3
107.08582	29.4
109.06504	5.0
109.10151	15.4
111.08080	4.8
116.04687	6.3
117.06990	10.6
119.08586	12.0
121.06515	3.7
121.10107	13.9
123.08074	3.3
123.11699	4.2
125.09615	6.5
129.05440	28.7
129.06969	4.7
131.08533	15.2
133.10123	16.9
135.11678	15.7
143.06972	4.2
145.10129	2.9
147.11664	6.4
149.09550	4.1
149.13280	12.8
157.08601	15.3
157.09996	2.7
159.11719	5.6
163.11110	4.1
189.11203	3.2
195.13773	10.7
199.13301	11.2
209.11687	5.1
227.12723	4.7
267.15732	2.9
269.17447	30.8
283.15451	3.5
301.16364	42.8
344.01453	2.5
362.52740	2.9
411.27017	4.7
423.27225	16.8
477.28174	3.6
490.13327	2.9
495.29297	39.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3733
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
54.81293	1.5
55.01857	2.6
55.05503	19.9
56.23767	1.8
57.03437	2.1
57.07065	3.4
57.07828	1.3
59.04984	1.5
65.38253	1.8
67.05490	35.1
68.34699	1.4
69.03410	7.5
69.07059	33.4
71.04979	7.5
71.12267	1.4
76.55856	1.4
79.05481	26.9
81.07037	100.0
83.04968	6.1
83.08614	9.1
85.02904	2.0
85.06527	2.5
91.05460	21.0
93.07023	60.9
95.04954	7.9
95.08585	63.6
97.06508	6.0
97.10168	3.4
101.93912	1.6
105.07015	33.9
107.04971	7.1
107.08579	60.5
109.06517	13.6
109.10148	43.6
111.04469	1.7
111.08076	7.3
117.06997	6.2
119.08559	38.3
121.06504	11.6
121.10121	45.3
123.04440	1.8
123.08043	56.9
123.11693	26.1
125.05964	2.0
125.09628	2.6
131.08560	9.7
133.06491	3.9
133.10092	25.4
135.08017	16.5
135.11639	29.9
136.08797	2.0
137.05972	9.5
137.09608	18.9
137.13278	3.4
139.07521	14.6
139.11134	3.1
141.09071	3.0
143.08545	7.1
145.10121	15.2
147.08095	2.7
147.11658	25.1
149.06012	2.6
149.09573	43.5
149.10690	2.4
149.13214	20.2
151.07506	11.4
151.11150	3.6
157.10112	9.3
159.08046	2.7
159.11639	18.9
161.09598	13.0
161.13249	13.4
163.07594	1.8
163.11153	9.2
163.14824	3.3
165.09109	13.1
165.12691	3.0
167.06976	12.0
171.11668	7.6
173.13255	8.6
175.11093	12.1
175.14777	10.3
177.05531	2.4
177.09081	19.6
177.12708	9.0
177.16382	1.6
179.10640	10.0
185.13232	6.6
187.11177	2.0
187.14923	3.5
189.12730	11.6
189.16321	3.4
191.14241	2.5
193.12204	17.7
195.10132	6.4
199.14885	2.6
203.10707	2.3
203.14339	2.4
203.17999	9.6
205.12277	2.5
213.12708	2.8
219.13850	2.0
221.11713	6.6
231.13710	2.1
239.12801	2.0
257.22433	2.2
287.19788	2.1
301.25296	2.0
317.24683	7.1
335.25647	4.1
374.43674	1.8
374.49139	1.7
397.31003	1.9
411.32602	13.1
415.32016	2.8
421.30768	3.6
429.33624	23.4
439.31985	31.3
457.33066	42.5
475.34180	33.0
493.35086	14.1
529.33173	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	530.2229
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03910	0.6
53.89774	0.5
58.25217	0.5
63.94474	0.5
69.03404	1.2
70.06561	0.6
78.04685	0.9
79.05456	0.6
81.07088	0.6
85.02883	3.4
85.06492	0.6
94.04118	1.0
97.02846	0.8
106.04159	1.1
107.04937	0.9
109.02856	1.0
109.45779	0.6
116.10445	0.6
119.04904	0.8
122.03637	4.7
123.04391	3.3
123.05280	0.7
124.05194	1.2
131.04950	0.7
136.06154	2.2
137.05951	96.4
149.05945	0.9
151.07486	1.1
152.04642	1.1
153.05464	1.0
155.22612	0.6
161.05957	1.1
165.06944	1.1
167.07001	100.0
168.05809	0.7
183.07974	2.5
185.63547	0.7
211.07520	3.0
243.10141	1.1
255.09956	0.7
271.09552	1.5
283.09427	2.2
286.10434	0.7
303.12122	3.4
315.12134	4.2
329.98300	0.6
333.13266	3.1
353.99796	0.6
524.00354	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.0
55.01854	2.7
55.05496	28.3
57.03422	2.6
57.07067	5.4
67.05489	51.5
69.03403	9.8
69.07052	38.0
71.04968	5.9
72.58545	2.5
79.05459	35.5
81.07034	100.0
83.04963	5.7
83.08604	14.5
85.02929	1.8
85.06509	9.6
91.05463	18.8
93.07020	73.1
95.04922	14.1
95.08582	69.7
97.06521	9.0
97.10148	3.1
99.08057	3.1
105.07022	41.0
107.04907	3.2
107.08582	71.6
107.38798	2.2
109.06487	20.3
109.10133	66.3
111.04391	2.4
111.08047	11.8
111.11688	2.7
117.07045	3.2
119.08544	49.9
121.06460	16.0
121.10118	46.8
123.08030	65.2
123.11646	26.5
125.05999	4.0
125.09571	5.5
127.07506	3.6
127.11231	2.4
129.06990	2.2
131.08530	12.8
133.10100	38.9
135.08020	18.3
135.11644	35.5
136.08809	5.1
137.05957	22.1
137.09581	43.0
137.13197	8.4
138.16772	2.5
139.07480	12.3
143.08565	3.5
145.10141	17.9
147.08009	2.2
147.11656	26.2
149.09584	46.3
149.13245	21.5
151.07521	10.7
151.11102	11.9
153.12698	3.5
157.10075	13.5
159.08018	4.5
159.11671	19.3
161.09578	11.1
161.13226	13.3
163.11139	12.9
163.14711	4.3
165.09132	9.0
165.12715	3.5
167.07010	2.6
169.10034	3.5
171.11685	11.4
173.09540	2.9
173.13254	13.7
175.11110	12.9
175.14743	8.9
177.09067	18.8
177.12720	5.7
179.10645	11.3
185.13260	9.1
185.83943	2.2
187.11105	5.6
187.14832	5.2
188.48100	2.6
189.08821	2.4
189.12695	13.3
189.16298	3.8
191.14218	3.2
193.12117	18.8
195.10153	3.5
197.13261	3.3
199.14975	2.4
201.12671	2.8
201.16344	3.1
203.10558	3.5
203.17917	10.7
213.16272	3.4
217.12086	2.8
221.11577	4.1
223.13156	3.8
231.13693	2.9
243.17386	2.6
247.37508	2.8
299.23334	2.3
317.24680	5.1
335.25714	3.3
357.27353	2.8
385.27310	4.8
403.27811	7.1
411.32648	21.0
421.30453	3.8
429.33652	27.0
431.31146	3.0
439.32172	21.4
457.33044	36.1
475.34247	24.5
493.34897	13.4
493.96466	2.9
511.35724	3.0
529.33051	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	529.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.0
54.78162	1.1
54.81711	1.5
55.01856	1.2
55.05503	22.2
57.03419	3.0
57.07063	2.4
62.93449	1.2
65.03915	1.7
67.05486	34.5
69.03400	5.9
69.07047	24.2
69.65984	1.2
71.04969	7.1
79.05465	27.0
81.03385	3.1
81.07034	100.0
83.04963	7.9
83.08601	9.2
84.68737	1.3
85.02898	3.1
85.06528	2.9
85.80999	1.4
87.43943	1.5
91.05451	25.9
91.30866	1.3
93.07015	67.3
95.04945	8.5
95.08579	69.2
97.02805	1.6
97.06500	11.7
97.10130	6.0
99.08094	3.5
105.07010	36.7
107.04941	7.6
107.08573	64.0
107.78484	1.3
107.92397	1.3
109.06488	12.8
109.10135	44.2
109.10838	2.2
111.08076	10.0
113.05936	1.5
117.06989	3.2
119.08556	44.1
119.09393	2.4
121.06481	10.5
121.10114	43.7
123.04433	2.5
123.08043	55.4
123.08913	2.6
123.11662	21.2
125.05991	3.2
125.09596	3.2
128.06229	1.9
129.07010	1.7
131.08508	10.4
133.06500	1.9
133.10095	29.1
135.08028	14.5
135.11664	31.1
136.08823	3.3
137.05917	7.3
137.09589	21.7
137.13245	2.8
137.74548	1.5
139.07497	14.4
139.11148	2.9
141.09113	1.7
142.07774	2.3
143.08540	6.7
145.10124	18.6
147.08081	2.5
147.11668	23.2
149.05914	1.6
149.09587	42.5
149.13220	19.7
151.07524	12.9
151.11133	7.3
153.01758	3.5
153.09073	3.5
153.12775	2.1
154.02037	1.5
155.08505	1.9
157.10089	11.0
159.07979	2.4
159.11664	22.7
161.09554	10.5
161.13264	16.4
163.07562	2.0
163.11151	10.8
163.14766	6.5
165.09061	11.7
165.12663	2.4
167.07013	7.8
169.08678	1.9
169.10046	2.4
171.11700	6.5
173.09528	2.1
173.13194	12.5
174.10382	1.9
175.11177	9.8
175.14746	11.1
177.09071	14.4
177.12749	7.4
177.16356	5.3
179.10640	14.3
183.11661	3.1
185.09575	1.6
185.13191	2.8
187.11142	2.4
187.14763	3.3
189.12692	10.6
189.48074	1.4
191.10654	2.0
191.14290	2.4
193.12187	24.9
195.10168	6.8
197.13278	3.1
199.14818	3.5
201.12799	2.1
201.16367	6.5
203.14247	6.6
203.17935	8.1
205.12242	1.9
207.13748	1.6
215.17908	2.0
219.13725	1.4
221.11653	6.5
221.19054	1.5
223.13254	3.2
225.16505	1.9
231.13768	2.1
239.12650	6.0
249.14848	1.8
257.22491	1.8
281.19159	1.6
281.22385	1.7
292.19928	1.6
299.23685	3.3
317.24698	9.3
335.25870	2.2
367.24533	6.2
411.32401	15.0
421.30881	6.8
429.33539	10.6
439.32037	31.9
457.32980	44.4
475.34131	25.2
493.35272	5.3
529.13684	7.8
529.30603	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	529.3731
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30988	1.6
53.03925	2.8
54.81676	1.8
55.01849	3.2
55.05504	24.2
57.03431	1.8
57.07058	7.4
62.03428	1.5
66.72807	1.3
67.05490	37.5
69.03402	7.2
69.07046	26.4
71.04972	13.9
79.05465	26.2
81.07037	100.0
83.04952	7.0
83.08591	9.1
85.06516	7.3
91.05458	19.9
93.06417	1.7
93.07018	64.9
95.04918	9.9
95.08585	65.5
97.06493	7.9
97.10148	2.2
99.08061	2.6
105.07001	36.6
107.04918	3.9
107.08570	70.1
109.06508	13.6
109.10136	58.6
109.37601	1.6
111.04428	2.3
111.08058	9.2
116.82848	1.7
117.06969	2.8
119.08556	41.6
121.06485	13.1
121.10120	48.5
123.04373	3.5
123.08044	71.5
123.11676	25.2
125.05971	2.4
125.09623	2.2
127.11182	6.9
129.07007	1.6
131.08534	15.9
133.06461	2.3
133.10103	37.8
135.08044	19.7
135.11665	40.4
136.08778	7.4
137.05962	4.1
137.09589	27.5
137.13229	2.6
139.07512	15.3
139.11131	4.0
141.09079	2.8
143.08531	7.0
145.10112	24.2
147.07986	2.5
147.11673	25.8
149.05937	3.3
149.09598	46.4
149.13187	12.4
151.07515	14.0
151.11136	3.2
153.12714	8.8
157.10092	11.7
159.08044	3.6
159.11681	20.6
161.09570	11.2
161.13187	15.4
163.11147	12.5
163.14775	6.1
165.09041	10.6
166.07727	1.6
167.07045	3.3
171.11681	8.8
173.13234	12.8
173.47934	1.8
175.11116	13.1
175.14833	7.2
177.09065	19.1
177.12721	11.4
177.16376	3.2
179.03406	3.9
179.10652	15.4
179.14267	1.9
183.11662	3.0
184.29407	1.7
185.13258	3.6
187.11084	2.9
187.14757	3.0
189.12709	10.4
189.16335	8.5
191.10587	3.3
193.12164	24.1
195.10052	9.2
197.13245	2.9
199.11086	2.2
199.14775	2.9
201.16359	3.6
203.14278	8.0
203.17863	4.1
205.12140	3.9
211.14830	6.0
213.12578	1.8
213.16315	7.3
215.17889	2.5
221.11650	10.7
223.13191	2.0
231.13623	2.2
231.17569	2.2
239.12601	1.9
249.14888	2.4
255.13223	2.2
257.22519	2.5
275.23682	2.6
281.22763	1.9
289.18124	2.0
301.25208	1.8
308.53281	1.9
317.24609	11.1
335.26013	2.8
343.26163	2.8
411.32440	21.0
415.31686	2.8
421.30777	3.4
429.33606	24.5
439.32004	29.6
457.33109	44.0
475.34119	28.5
493.35190	16.2
511.36447	2.3
528.29510	1.8
529.33057	42.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	7.6
55.01867	12.4
55.05501	16.1
57.03411	9.7
58.24308	1.3
58.44636	1.4
61.02890	2.7
65.03923	1.6
67.05489	33.5
69.03413	1.6
69.07050	29.3
71.04954	1.8
79.05471	28.3
81.03391	16.6
81.07034	41.2
83.04958	7.0
83.08594	7.0
85.02873	2.0
91.05463	36.2
92.08716	1.6
93.06485	2.1
93.07022	30.9
95.01289	11.5
95.04945	15.0
95.08586	33.4
97.06522	15.2
103.05485	1.8
105.07012	47.6
107.04935	22.3
107.08582	13.0
108.05282	1.5
109.06474	2.9
109.10136	6.8
117.06998	13.6
119.08552	26.2
121.06486	3.3
121.10130	6.2
123.04404	2.3
123.08042	5.7
127.03937	2.5
131.08542	19.7
133.10112	28.0
135.11678	8.6
145.06477	2.2
145.10089	13.3
147.11699	11.6
149.09592	6.8
149.13228	2.6
151.07500	2.3
159.11635	10.5
161.13243	3.5
163.11159	7.3
165.09105	2.0
179.14258	10.9
185.13190	1.5
257.18884	2.5
275.20029	34.8
349.23660	100.0
350.24030	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	529.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54219	1.1
53.03944	1.5
55.01856	8.6
55.05505	23.7
57.03432	14.9
57.07075	1.4
61.02912	17.7
67.05493	33.2
68.52655	1.2
69.03407	7.3
69.07054	19.7
71.04986	2.5
73.02872	5.8
76.09409	1.5
76.56393	1.6
79.05482	32.6
81.03394	6.5
81.07037	41.5
83.04979	11.3
83.08608	10.1
85.02886	14.1
85.06534	2.5
89.99910	1.4
91.03934	3.0
91.05459	31.7
93.07026	43.3
95.04936	15.1
95.08583	29.3
97.02865	8.8
97.06518	6.5
97.10107	2.1
99.04433	2.9
101.02369	1.6
102.74729	1.6
105.06349	2.8
105.07011	39.7
107.04938	16.7
107.08576	30.9
109.06499	18.3
109.10146	13.6
111.08023	3.5
117.07027	11.5
119.08541	23.6
120.08867	1.7
121.06502	12.5
121.10114	15.2
123.08027	7.6
123.11662	3.4
125.09592	3.4
127.03918	1.5
129.07094	2.2
131.08542	21.7
133.06467	3.2
133.10107	25.8
135.08029	10.8
135.11687	10.8
137.05963	3.0
137.09622	5.8
141.06967	1.8
143.08517	2.8
145.06509	1.9
145.10110	18.4
147.08043	2.6
147.11674	17.5
149.09615	13.0
149.13272	1.9
151.11179	5.6
153.05405	6.2
157.10114	6.7
159.08049	3.2
159.11667	12.1
161.09558	6.0
161.13206	3.0
162.13579	1.4
163.11186	9.8
165.12733	2.4
169.10191	2.5
171.11650	3.3
173.09563	2.7
173.13251	6.9
175.11104	5.7
183.11732	2.1
215.17889	2.9
219.13713	1.6
239.17978	3.1
247.20551	3.0
250.75610	1.6
257.18967	7.6
275.19998	61.5
293.21036	7.4
307.87015	1.5
349.23672	100.0
367.24768	8.1
493.28787	1.6
512.40295	1.4
529.30511	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	528.4774
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68509	3.1
55.05504	9.7
57.07054	4.4
57.39708	3.5
58.77814	3.8
64.81419	3.6
67.05483	27.8
69.07056	35.1
70.35865	3.8
72.65976	3.9
79.05480	23.2
81.07045	100.0
82.88476	3.4
85.52434	3.8
91.05466	9.5
93.07030	45.5
95.08576	49.1
96.51233	3.9
105.07021	32.2
107.08554	32.1
109.10125	32.1
119.08559	27.5
121.10117	30.3
123.11662	7.6
131.08490	6.4
133.10094	16.0
135.11642	8.1
145.10123	6.8
147.11673	7.0
149.13268	7.2
159.11633	8.3
161.13225	10.1
173.13156	4.8
185.35213	3.7
198.14041	4.1
201.16393	4.3
283.26581	5.1
442.65024	4.4
520.27893	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	529.3001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.5
55.01855	14.1
55.05508	28.4
57.03421	19.3
60.25983	2.7
61.02914	26.3
64.68626	2.8
67.05495	46.8
69.03413	18.8
69.07060	28.3
71.04986	10.9
73.02891	16.0
79.05466	43.8
81.03408	15.4
81.07030	99.5
83.04958	17.1
83.08592	7.6
85.02896	25.8
85.06527	4.7
89.90929	2.9
91.03950	13.0
91.05463	42.1
93.07021	45.4
95.04954	23.4
95.08575	37.0
95.78082	3.1
97.02870	25.6
97.06516	14.4
101.02375	3.1
105.07017	43.0
107.04939	99.7
107.08588	31.5
109.02884	2.9
109.06509	25.9
109.10156	25.0
111.08054	6.4
117.07023	3.2
119.08566	44.2
121.06434	4.8
121.10117	26.9
123.04434	4.6
123.08008	4.4
123.11722	7.2
125.05984	12.3
127.03863	3.8
129.06976	3.1
131.08557	18.2
133.10135	22.5
135.08014	4.5
135.11710	4.3
137.05949	100.0
137.09627	5.6
142.07863	3.1
145.10158	6.7
147.08083	4.3
147.11691	15.9
149.13261	5.5
151.07545	5.0
151.11212	4.3
157.10133	6.2
159.11659	5.0
161.09558	3.5
163.11186	5.0
179.03397	17.9
180.03745	12.1
271.96234	3.2
275.19934	26.4
289.45166	4.1
293.20978	4.2
349.23694	15.5
367.24765	26.4
457.33197	4.0
529.30536	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	528.4254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	30.4
57.03426	46.4
57.07069	62.3
67.05492	67.5
67.36863	8.4
69.07056	38.9
71.08612	46.7
79.05471	69.2
81.07029	42.4
83.04986	12.1
83.08619	9.6
85.10152	33.8
89.06046	8.2
91.05470	14.2
92.09328	9.0
93.07027	65.4
95.08585	36.6
97.06503	16.7
97.10181	14.3
107.08589	35.2
119.36085	10.0
122.83196	9.3
133.08627	8.1
135.11691	53.3
255.15817	100.0
282.31067	8.9
313.27246	88.9
405.19952	9.4
493.38773	82.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.4772
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
54.18807	2.0
55.05506	25.3
57.07054	11.8
64.95596	2.3
67.05488	43.8
69.07051	38.8
70.80759	2.2
73.40066	2.6
75.90298	2.2
79.05489	29.8
81.07040	100.0
83.08590	5.7
91.05460	30.8
93.07025	93.1
95.04944	5.2
95.08590	74.1
97.10188	5.0
105.07004	47.5
107.08577	82.5
109.10129	57.3
119.08566	50.8
121.10126	39.9
123.11683	11.4
131.08554	16.6
133.10107	30.0
135.11639	29.7
143.08521	2.6
145.10114	20.7
147.11748	25.9
149.13249	12.6
157.10117	2.7
159.11685	16.3
161.13211	20.0
162.37502	2.5
163.14819	5.6
171.11711	3.7
173.13145	7.4
175.14827	5.4
177.16324	3.2
185.13295	2.8
187.14763	5.1
189.16359	3.7
199.14877	3.7
201.16382	4.9
203.17990	2.6
208.17963	2.4
215.17982	4.9
283.26462	3.3
469.84171	2.6
475.43332	3.8
506.21112	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	528.4771
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43925	1.8
55.05505	18.8
57.07054	3.5
64.52071	1.8
65.03916	2.4
67.05487	33.5
68.03768	2.1
69.07053	27.1
71.08617	2.6
79.05466	23.8
80.30863	2.2
81.07036	100.0
83.08630	2.6
91.05446	20.9
92.08854	14.8
93.07021	60.2
95.05016	2.1
95.08582	57.6
97.10140	3.6
98.93350	2.1
105.07008	42.2
107.08575	55.1
109.10136	46.0
111.11727	3.5
117.06975	2.6
119.08554	38.6
121.10117	35.1
121.17415	2.2
123.11676	13.9
131.08533	8.3
133.10115	15.6
135.11694	20.4
137.13245	2.4
145.10092	14.0
147.11679	17.3
149.13217	15.4
157.10156	2.5
159.11670	11.5
161.13214	14.5
161.54030	1.9
163.14789	5.1
173.13257	8.0
175.14827	7.9
177.16362	3.4
183.90762	2.0
187.14786	4.7
189.16310	4.3
191.17821	3.6
201.16290	2.9
203.17943	3.1
213.16367	2.8
217.19464	3.2
227.18033	2.7
283.26263	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	528.3162
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	6.4
54.82159	1.4
55.01868	20.7
55.05505	58.5
57.03425	44.2
57.07067	3.3
57.99618	1.4
59.05001	4.7
67.05490	51.2
67.05842	2.4
69.03409	7.9
69.07050	15.1
71.01341	1.6
71.04971	16.1
75.88354	1.6
79.05471	73.1
81.03397	99.1
81.03874	3.4
81.07034	70.3
83.01335	19.9
83.04955	51.0
83.08601	47.5
85.02885	49.8
85.06532	2.6
91.05458	65.9
91.56776	1.6
93.07021	72.4
95.04943	45.8
95.08070	2.0
95.08588	26.8
97.02867	3.5
97.06481	12.2
97.10141	9.0
99.04426	3.7
99.08073	3.0
105.07014	56.5
107.04941	23.7
107.08572	31.2
109.06512	19.4
109.10133	5.7
111.04406	7.5
111.08053	11.9
113.05978	3.4
115.05477	1.9
117.06986	14.7
119.08557	43.5
121.06478	7.9
121.10118	22.5
123.04430	2.1
123.08049	16.9
123.11676	2.4
125.05941	2.5
125.09624	2.1
129.06975	19.5
131.08542	23.5
133.06458	3.5
133.10104	19.5
135.08003	3.1
135.11661	13.2
142.07755	1.9
143.08481	2.3
145.06471	2.2
145.10109	23.9
147.08017	6.6
147.11662	20.5
149.09598	10.0
153.71123	1.4
155.08578	2.0
157.10106	18.2
163.11137	35.0
165.12682	2.6
173.09566	3.4
174.35962	1.4
175.11194	14.4
181.12198	2.3
191.10614	2.4
191.91412	1.6
193.12198	52.3
209.11758	9.0
211.13240	65.9
227.12691	2.1
258.04758	2.0
267.15875	18.6
283.15338	89.7
285.16901	55.2
309.50092	1.8
351.19254	1.6
374.34738	1.5
475.26920	18.9
493.27847	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3169
Annotation	Unknow
Peak:m/z	Relative Intensity
50.59615	0.2
53.27486	0.2
55.59877	0.2
59.23462	0.2
69.03404	0.3
71.51105	0.2
79.05482	1.3
81.03353	0.2
83.04959	0.2
85.02885	0.8
85.43742	0.2
92.29139	0.2
95.04944	0.5
97.02879	0.2
101.06002	0.5
103.05450	0.9
105.07012	100.0
106.07333	0.4
109.02896	0.2
119.04945	0.3
122.09642	31.0
126.93886	0.3
127.03931	0.5
163.03879	0.3
184.05650	0.2
188.07118	0.2
239.85205	0.2
386.27682	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3896
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57371	2.3
55.05501	21.0
57.07065	9.9
59.04982	3.6
67.05495	32.7
69.07058	39.5
71.08606	3.3
78.79086	2.3
79.05488	17.0
81.07040	100.0
81.90005	2.4
83.04951	2.9
83.08607	18.1
85.06519	3.0
87.04449	9.3
90.67157	2.2
91.05478	9.4
92.09439	4.4
92.42840	2.3
93.07034	32.5
95.08585	83.0
97.06517	13.3
97.10135	11.3
98.98491	2.5
99.04417	3.1
99.48207	2.1
105.07050	16.0
107.08584	30.8
109.06521	9.3
109.10149	45.4
111.01532	2.1
111.08063	11.1
119.08578	12.6
121.10118	18.0
123.08026	11.4
123.11685	29.5
125.05977	28.7
125.09615	3.2
125.13228	2.3
125.53885	2.6
127.03991	3.9
131.08592	3.1
133.10098	10.9
135.11671	14.2
137.09618	3.4
137.13216	11.5
139.03922	18.6
145.10120	10.0
147.11661	9.8
149.13260	13.2
151.14774	3.2
153.05447	27.4
153.45338	2.4
155.07016	68.2
159.11653	10.4
163.14812	5.3
173.13264	2.8
189.16367	3.0
191.10657	2.7
247.44098	2.3
303.27090	2.4
313.28348	2.3
317.06558	2.7
331.30038	22.8
339.28955	9.8
349.31012	40.0
367.31918	3.6
415.32104	4.9
433.33051	90.8
528.49652	3.9
554.85480	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	528.3895
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05315	2.7
55.05502	27.6
57.07067	7.1
62.03228	2.7
63.90629	2.7
67.05506	30.8
67.05794	3.9
69.07057	37.6
71.08599	5.1
79.05473	18.3
81.07040	100.0
83.04955	6.0
83.08598	19.5
91.05463	8.1
93.07019	19.0
95.04945	4.3
95.08582	84.4
97.06515	6.4
97.10134	6.3
105.07009	8.4
107.08595	25.5
109.06509	5.4
109.10136	43.2
111.08063	4.6
113.05988	3.6
117.07027	3.9
119.08577	6.5
121.10124	18.9
123.11675	28.4
125.05969	17.5
127.03900	21.0
131.08524	4.1
133.10117	5.4
135.11688	5.8
135.13809	3.9
137.05966	5.8
137.13205	6.4
139.03871	5.5
153.05446	28.1
155.06989	51.8
159.11624	7.8
163.14879	4.3
177.16292	4.0
183.06512	14.3
201.07539	24.2
213.15265	3.4
232.48837	3.2
283.26025	4.8
339.28949	27.1
349.30759	17.3
433.32953	32.7
433.99698	4.0
475.33929	21.5
481.05066	4.1
528.37579	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	528.192
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	4.7
54.93930	0.8
55.01859	7.2
55.05509	6.8
57.03426	11.9
59.04978	1.4
61.02916	7.9
63.16579	0.8
67.05509	1.1
68.99760	1.1
69.03416	37.0
70.92646	1.1
71.04987	6.3
73.02912	7.2
73.06538	5.8
76.91550	1.0
81.03400	26.5
81.07030	1.2
82.80396	1.0
83.01286	0.8
83.04964	13.8
85.02891	96.2
85.06525	25.5
87.00820	20.4
91.03928	1.4
95.04939	4.8
97.02871	50.0
99.04444	14.4
101.05998	100.0
105.01842	18.0
109.02867	24.8
109.03526	1.8
111.04404	1.5
115.03918	1.9
117.01829	2.0
117.05441	1.3
118.56802	1.0
119.04900	1.2
125.05981	2.4
125.10442	0.9
126.11662	1.0
127.03904	45.0
129.01805	2.0
129.05446	1.9
129.39343	0.9
137.05963	1.9
145.04945	20.1
147.04381	2.0
159.02888	6.5
162.68678	1.1
167.07062	4.0
197.08047	12.4
209.08116	1.8
213.03767	1.5
227.09122	6.1
231.05060	7.1
244.13721	0.9
245.10170	15.8
249.06165	1.5
263.11209	37.9
331.10464	1.5
393.10547	1.0
414.34491	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	528.3013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.2
54.73375	2.8
55.05504	12.7
57.03423	16.4
57.07075	2.7
57.44403	2.3
61.02898	2.8
67.05488	19.8
69.03407	5.2
69.07059	13.4
71.04990	5.1
79.05482	21.1
81.03398	80.9
81.07039	35.4
82.07391	2.9
83.04971	14.9
83.08602	25.0
85.02892	38.7
85.06517	3.2
91.05456	16.3
93.07021	16.1
93.41948	3.5
95.04943	35.1
95.08588	12.2
97.02873	13.4
97.06504	3.8
99.04433	3.4
105.07033	17.7
107.04928	5.4
107.08586	10.6
109.10126	4.3
111.08073	17.1
117.07050	3.7
119.08551	26.4
121.06437	4.1
121.10110	14.9
123.07986	2.9
129.06989	10.2
130.04950	3.9
131.08546	6.0
133.10117	14.0
137.09581	4.8
140.96252	3.1
147.08066	2.6
147.11652	13.2
149.09604	5.4
157.10114	15.3
157.90511	2.9
175.11177	22.5
188.97520	3.2
193.12201	51.0
211.13235	30.1
229.14302	3.1
230.45494	3.2
260.71399	3.0
267.15894	14.6
285.16885	100.0
295.22696	4.1
429.21317	20.0
539.20074	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	528.3109
Annotation	Unknow
Peak:m/z	Relative Intensity
53.76724	3.0
55.05499	3.4
59.99214	3.1
63.47786	3.0
67.05518	4.1
69.07055	7.3
79.05477	4.7
79.26147	2.9
81.07050	5.6
91.05426	5.0
93.07037	6.3
95.08605	6.3
97.10127	3.1
103.05453	26.0
105.07011	96.6
107.08543	5.2
143.08546	3.8
145.10135	3.5
149.09590	5.0
193.10156	3.5
231.47260	3.3
249.12743	38.3
292.78976	3.4
309.84631	3.5
327.17377	43.9
405.22052	100.0
493.27347	72.6
528.37860	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	526.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	8.3
55.01842	4.6
55.05510	42.2
55.05721	3.8
55.63168	4.7
57.03418	25.0
61.02868	4.6
62.86738	4.6
67.01114	4.5
67.05489	75.7
69.03402	10.0
69.07050	13.1
71.69807	4.9
77.35704	4.3
79.05470	100.0
80.06321	4.7
81.03398	65.1
81.07030	88.8
81.26877	5.8
81.40758	4.3
83.04961	28.7
83.08618	21.0
84.42796	4.3
84.50461	5.0
85.02892	22.2
91.05460	90.5
93.07006	71.7
95.04947	63.8
95.08579	40.0
97.06503	10.9
99.04414	5.5
105.07003	65.1
107.04935	27.3
107.08542	36.9
109.06487	9.3
109.10128	11.4
111.08049	8.4
112.40429	5.7
117.06976	21.5
119.08554	56.6
121.10102	12.9
123.08046	8.9
129.06999	39.2
131.08519	27.8
133.10103	23.4
135.08093	4.9
135.11620	6.8
137.05856	5.1
139.25150	5.7
143.08521	12.7
145.10101	4.9
147.11676	44.1
151.07599	5.3
157.10123	10.7
159.11734	6.2
161.13213	5.3
163.11168	5.8
165.05338	6.4
171.11583	24.7
175.11148	8.1
186.84552	5.7
189.12740	7.2
193.12190	26.9
207.13800	5.5
211.13237	21.9
211.60242	5.2
262.75906	6.6
267.15726	10.4
281.17447	38.7
285.17004	9.2
473.28699	34.2
491.29913	47.6
494.07513	5.7
516.52985	6.0
526.35516	6.4
540.57666	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	526.431
Annotation	Unknow
Peak:m/z	Relative Intensity
53.61393	1.7
55.05511	2.9
57.06810	3.4
57.07066	60.1
64.26735	1.9
67.05487	1.8
69.07051	11.0
71.08614	56.1
81.07027	2.7
83.08593	4.0
85.10163	31.3
87.04444	3.5
89.06009	100.0
95.08602	3.0
99.11756	2.6
107.08562	2.3
111.11718	2.0
114.87704	2.0
115.64565	2.0
117.09180	2.5
132.93024	2.2
133.08563	35.5
177.11256	14.4
210.45706	2.2
221.13699	3.7
271.26334	2.1
315.28909	9.6
327.20059	20.4
421.35785	2.4
496.42642	2.4
509.40323	38.4
526.42828	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	527.1332
Annotation	Daphnodorin A
Peak:m/z	Relative Intensity
54.81663	0.4
55.01858	0.6
55.05494	2.6
57.03419	2.0
57.07054	0.7
63.31164	0.4
67.01855	4.0
67.05485	5.0
68.99778	2.2
69.03410	3.1
69.07040	3.3
73.02911	0.5
79.05470	4.1
81.03394	1.9
81.07033	6.4
83.01311	4.1
83.04973	1.2
83.08588	0.8
85.02896	2.5
85.06511	0.7
91.05470	4.8
92.08691	0.9
93.06997	5.8
94.02901	6.7
95.04940	4.2
95.08582	4.9
97.02891	1.2
97.06508	7.2
99.08100	1.1
103.05424	0.5
105.07018	4.7
107.04933	26.6
107.08592	4.3
109.06498	2.2
109.10130	4.0
110.17440	0.5
111.00762	0.8
111.04434	1.1
111.08087	0.6
115.05446	0.7
117.07013	0.7
119.04928	1.2
119.08556	2.8
121.02837	2.0
121.06490	1.9
121.10096	4.5
123.04427	2.9
123.08047	2.2
123.11711	2.4
125.05976	0.8
125.09608	0.7
131.04878	0.6
131.08556	1.2
133.06543	0.6
133.10132	2.8
135.08009	0.8
135.11685	1.0
137.05980	4.8
137.09569	0.7
139.03914	0.7
139.07492	0.8
143.08481	0.6
145.06480	0.8
145.10098	2.3
147.04390	2.7
147.08061	0.6
147.11728	0.9
149.09616	1.0
151.03865	0.9
151.07527	0.7
153.01802	65.0
157.06422	0.6
157.10075	0.5
159.07889	0.5
159.11639	0.9
159.38307	0.5
161.09543	0.5
161.13261	0.6
165.06952	0.6
165.09117	1.0
167.08424	0.5
169.06491	1.1
169.15826	0.5
171.02855	2.7
173.13232	0.8
175.11159	0.5
176.73082	0.5
177.05313	0.6
179.03386	2.9
179.08548	0.8
181.06502	1.2
192.04266	0.5
195.02823	1.0
195.08063	2.2
197.06017	2.6
197.15239	1.7
198.06767	0.9
199.07530	0.8
200.08188	0.6
207.08072	1.1
209.06021	1.0
210.06807	0.7
211.07538	0.7
212.08374	1.2
213.05521	0.6
223.07739	1.0
225.09134	0.7
225.27045	0.5
227.06934	1.9
231.06453	4.1
233.11714	4.3
234.11977	0.6
235.07518	2.9
238.06284	0.8
240.07765	1.1
241.08664	0.8
242.09338	3.2
243.06393	7.3
250.06053	0.7
251.06926	1.1
253.04860	0.9
255.06462	2.0
257.04440	1.1
258.05276	0.8
261.09094	1.1
263.06998	3.0
267.06558	2.3
268.07248	0.9
269.04413	3.0
269.07797	1.1
271.06067	0.8
273.09158	0.8
275.07010	0.8
277.08737	0.7
281.04437	2.4
281.07791	1.0
285.09067	1.9
286.04770	0.8
286.09787	0.8
289.08630	0.9
290.09451	0.8
295.05978	0.7
297.03955	1.8
297.08887	0.9
303.06638	1.1
303.09875	0.5
305.08203	0.5
311.10773	0.8
312.11261	0.7
313.08606	1.0
314.09348	0.8
315.10129	0.6
316.07260	0.7
317.08099	0.8
318.08640	1.8
319.05927	0.7
319.09561	0.6
321.07608	3.0
323.05347	5.3
327.10318	1.0
329.11804	1.8
331.09961	0.6
332.06613	0.7
333.07480	2.0
335.09088	3.2
336.09897	0.9
337.07123	0.7
341.07831	0.6
345.07462	0.9
355.09857	0.9
357.11292	0.9
359.09207	3.6
361.06912	2.1
369.07483	2.0
373.06799	1.2
373.10938	0.6
375.12332	2.7
387.08539	2.9
389.06558	2.1
391.07874	5.5
397.06784	0.6
400.05682	2.3
401.10272	2.3
403.07919	4.2
407.07513	0.7
411.32895	0.6
415.07986	3.1
419.07532	2.3
420.08340	10.7
421.08932	5.7
433.08591	3.8
444.76398	0.6
455.31610	1.0
473.32486	0.9
485.12027	0.7
491.33948	0.7
527.13269	100.0
527.30676	3.7
528.13525	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2025
Annotation	Unknow
Peak:m/z	Relative Intensity
68.05016	0.6
69.03413	0.4
74.02412	0.4
74.16355	0.2
75.51311	0.2
80.66441	0.2
84.16550	0.2
85.02900	1.4
92.63813	0.2
95.19979	0.2
98.97552	0.2
103.05437	0.3
105.07002	0.3
106.06531	1.5
112.03928	1.3
115.05439	1.6
117.05725	1.2
120.08063	0.3
121.43317	0.2
121.77534	0.2
127.03999	0.3
130.06500	2.5
131.04890	0.4
132.04391	0.3
132.08047	2.5
133.05255	0.5
133.06367	0.5
134.05984	25.2
142.06450	0.3
146.06003	2.4
148.07550	4.2
153.01804	1.1
157.07581	1.5
158.05986	8.0
159.06726	2.9
160.03912	0.6
160.07544	17.4
161.08035	0.3
162.05463	79.2
163.05733	1.9
175.08627	6.4
176.07045	0.5
186.05441	7.9
187.90012	0.3
203.08116	1.2
204.06519	100.0
205.06798	2.1
221.09163	29.2
222.09659	0.5
226.62471	0.3
275.10849	1.3
309.08514	0.4
382.96509	0.3
431.25876	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.81717	0.2
55.01858	0.5
55.05499	2.6
55.15500	0.2
56.73822	0.2
57.03423	12.8
59.04988	1.0
61.02920	1.8
63.02583	0.2
64.35585	0.2
66.41592	0.2
67.05496	0.3
69.03422	2.0
69.83061	0.2
71.01346	0.5
71.04971	86.4
73.02899	3.8
73.50705	0.2
75.04459	4.8
81.03388	0.5
81.07040	0.5
83.04958	9.6
83.05428	0.5
85.02883	100.0
87.04449	2.5
93.07009	0.4
95.08585	0.5
97.02867	3.6
97.06477	0.5
99.04401	2.0
103.03909	0.5
104.07142	0.3
104.37245	0.2
105.70141	0.3
107.04938	0.3
107.08546	0.3
109.02831	1.0
111.04417	4.3
115.05441	1.1
116.06217	1.1
121.10132	0.3
127.03893	2.1
128.06218	1.8
129.05446	29.0
129.06982	0.9
131.04866	0.3
132.05666	0.5
137.05904	0.3
141.06966	0.5
142.07791	0.4
143.04860	0.4
144.05618	0.4
145.04962	1.3
145.06377	0.4
146.08127	0.4
147.06496	12.3
153.06940	1.3
154.07767	0.4
155.08498	2.1
164.09151	4.1
165.07010	1.6
168.05696	2.4
169.10085	0.4
171.08017	1.2
181.06358	0.5
182.07315	0.4
183.08002	22.3
185.09573	0.3
195.07996	0.5
197.07709	0.3
197.09564	8.2
201.09190	0.6
207.08031	0.6
209.09570	1.3
211.11131	0.4
215.10638	2.6
221.09523	1.6
223.07591	0.3
225.09108	3.0
237.09074	1.1
239.10532	1.0
249.08965	1.2
253.08324	0.3
255.08513	1.2
263.10718	0.3
267.10065	4.8
273.09549	0.5
285.50143	0.3
293.11584	1.1
309.11343	1.5
311.16205	0.5
327.12198	0.5
347.46860	0.3
367.39789	0.3
525.33643	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	526.2494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
54.81834	0.4
55.01852	1.1
55.05499	0.8
57.03417	2.6
57.07063	0.7
59.04977	0.8
60.04501	0.8
61.02897	0.8
66.20695	0.4
67.05490	5.4
69.03422	5.5
69.07050	1.9
70.02898	0.4
71.04964	0.7
73.02901	0.5
75.04424	0.5
79.05477	12.7
81.03393	2.3
81.07037	30.0
83.04974	0.7
85.02888	11.9
85.06493	0.8
87.04436	0.8
91.05463	7.7
93.07023	46.8
95.04941	1.1
95.08582	13.8
97.02875	4.6
97.06503	3.2
99.04422	0.8
103.05452	0.5
105.07014	7.6
107.04930	2.3
107.08575	7.9
109.02861	1.1
109.06495	5.2
111.04404	2.1
111.08068	3.0
119.08564	2.2
121.06494	4.4
121.10123	100.0
123.08038	3.0
123.11684	22.1
123.12547	1.0
125.05971	7.3
127.03885	3.1
131.08543	7.3
133.07582	0.7
133.10069	0.6
137.05916	1.5
139.06508	0.5
139.11159	11.5
145.04915	1.1
149.09593	14.8
151.07532	0.8
163.03979	0.5
164.75923	0.5
167.10640	31.0
185.11699	7.7
189.09161	0.5
216.08792	0.9
217.09027	0.6
219.10278	0.9
240.08835	0.7
241.09084	0.7
301.11252	0.6
310.72742	0.5
311.14825	2.9
317.14102	0.5
329.16000	5.5
491.13947	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.3264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.2
54.29152	0.9
54.81739	0.8
55.01859	1.5
55.05504	34.2
57.03434	8.0
57.07071	9.5
61.98504	0.8
67.05494	35.9
68.56137	0.9
69.03420	2.4
69.07054	59.8
71.04976	4.6
72.08114	1.0
73.01578	0.9
74.98061	0.8
76.56307	0.9
79.05479	15.4
81.03404	1.1
81.07037	59.5
83.04967	4.1
83.08602	31.4
83.09091	1.4
84.72233	0.9
85.02887	4.6
85.06522	8.6
86.09680	2.2
91.05459	11.7
93.07020	22.1
95.04939	4.1
95.08586	57.9
96.02442	0.9
97.02856	1.3
97.06492	7.5
97.10143	22.1
99.08084	1.7
105.07027	15.6
107.08580	23.4
109.06542	3.9
109.10136	31.4
111.08048	6.3
111.11042	1.0
111.11693	8.6
112.63562	1.1
113.09645	1.2
119.08552	12.4
120.08067	4.3
121.06524	1.4
121.10109	18.7
121.64767	1.0
123.04448	1.4
123.08007	2.3
123.11692	10.3
125.09589	4.0
133.10114	12.8
135.11691	16.4
137.09619	4.0
137.13225	5.6
139.11145	4.7
147.11673	10.7
149.13239	7.7
151.11127	1.6
151.14783	1.7
153.12721	2.4
161.13200	9.2
163.14787	1.3
165.09055	1.6
165.12700	4.8
167.07034	1.0
175.14806	2.4
189.16444	1.1
217.19495	11.0
235.20525	8.5
253.21584	7.1
265.11459	1.2
279.16779	1.4
291.26666	2.1
309.24161	4.0
309.27859	4.7
327.25235	100.0
345.26291	13.2
345.30081	1.7
432.69745	1.1
525.22559	1.7
525.33289	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	525.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
53.03923	0.8
54.81440	0.8
55.01848	2.0
55.05235	1.4
55.05501	39.7
57.03421	8.9
57.07066	11.2
57.37857	1.0
59.04980	1.3
67.05490	39.7
69.03419	2.0
69.07050	70.1
71.04973	7.4
71.08608	1.8
72.86661	1.1
79.05466	19.2
80.65141	0.9
81.03390	1.3
81.07032	82.2
83.04968	5.0
83.08599	32.2
85.02880	5.9
85.06524	14.8
86.09666	1.8
91.05445	15.1
93.06479	1.7
93.07014	31.4
94.19095	0.9
95.04922	2.3
95.08581	66.1
97.02906	1.0
97.06518	9.8
97.10143	25.4
99.08063	4.6
99.77119	0.9
105.07005	16.5
105.07663	1.4
107.04972	1.2
107.08569	23.2
109.06482	1.8
109.10133	35.0
111.08059	8.2
111.11692	9.6
113.09637	1.6
119.08539	16.1
120.08085	1.6
121.10115	22.7
123.04410	0.9
123.08012	2.3
123.11674	21.2
125.09610	4.0
125.13239	1.1
127.11181	1.1
131.05003	1.0
131.08536	1.6
133.10092	14.6
135.11670	20.4
137.09560	1.6
137.13214	11.2
139.03819	0.9
139.11124	4.6
145.10081	0.9
147.11639	12.9
149.13220	6.9
151.11174	2.2
151.14740	1.6
153.12714	4.3
161.13205	10.1
163.14769	3.4
165.12701	3.4
175.14752	3.7
179.14346	1.7
189.16461	1.3
191.17981	1.6
217.19464	10.9
235.20517	9.1
253.21503	7.6
273.25851	1.2
291.26746	9.2
297.27838	1.2
309.24036	4.2
309.27747	9.3
327.25208	100.0
345.26233	13.6
345.29929	3.1
443.31018	1.0
525.22986	1.4
525.33191	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3709
Annotation	2-octadecanoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
50.99122	0.2
51.61492	0.2
55.05495	0.6
56.05010	1.3
57.03424	0.6
57.07064	4.6
58.06581	1.3
59.07370	0.3
60.08152	20.9
60.08459	0.7
67.05473	1.2
69.07043	0.6
70.18822	0.2
71.06992	0.4
71.07355	8.4
71.08615	3.0
81.03388	1.4
81.07021	2.2
83.08591	0.6
85.10151	1.6
86.09688	63.6
86.56766	0.3
91.05464	0.3
92.72926	0.3
93.07026	0.6
94.04748	0.3
95.04965	0.5
95.08579	2.1
98.98433	4.1
104.10724	93.6
105.06991	0.6
105.11063	0.5
109.10126	0.6
123.11709	0.4
124.99979	38.9
143.01031	0.5
163.01506	0.6
184.07301	100.0
208.50175	0.3
258.10931	0.5
260.56265	0.3
341.30325	1.7
420.57367	0.3
433.84451	0.3
459.58508	0.3
506.35892	6.7
524.37018	34.1
525.37231	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	525.1716
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07078	0.7
51.77290	0.7
55.01855	1.3
55.05506	0.9
56.05026	0.7
56.96553	1.1
57.03428	1.3
61.02906	2.0
69.03417	8.2
71.01325	3.5
71.04933	0.9
73.02863	1.2
76.56193	1.0
81.03413	1.5
83.04965	4.4
83.29837	0.8
84.04482	1.5
85.02901	11.7
92.09309	1.0
97.02876	3.8
98.97578	1.3
99.04446	1.4
107.04929	1.0
111.57738	1.0
117.07024	2.1
121.06463	3.6
123.04401	1.0
125.02395	1.2
129.07007	1.6
130.04945	1.3
134.05986	8.3
141.01791	14.0
144.08095	4.0
145.06474	7.1
146.05984	19.4
148.07533	12.3
154.06549	1.4
156.08046	6.5
157.04973	2.2
158.05984	8.7
159.06813	7.5
160.07542	64.4
162.05493	14.8
169.01341	1.3
170.05928	1.6
171.06725	6.5
172.07533	100.0
173.08260	2.1
174.05518	2.1
174.09100	16.7
176.07042	18.9
182.06055	1.5
183.06726	6.1
184.05991	1.8
184.07539	35.6
185.07056	1.5
186.05460	95.8
186.09019	3.7
188.07010	15.2
190.08600	4.4
196.07529	5.8
197.08316	1.1
198.05409	1.1
198.09106	4.7
199.06274	3.6
199.08641	24.0
200.07042	50.2
202.08566	11.0
204.06512	24.8
204.08186	1.6
210.05455	3.7
212.06924	2.0
214.08609	5.6
217.09755	1.4
218.08041	20.2
221.09201	4.1
224.06937	2.0
228.06514	20.4
240.10231	1.6
242.08194	1.0
245.09151	29.3
246.07552	96.5
258.11264	1.9
263.10229	4.5
270.07541	1.2
273.08740	2.2
275.10184	1.3
276.12326	3.7
287.10248	2.1
294.13297	1.3
298.68027	1.0
305.11075	1.1
331.12857	1.6
332.11566	1.3
404.09637	34.5
409.16110	1.2
421.12296	41.1
452.15347	8.3
456.22415	1.1
508.14252	2.0
525.17139	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	524.3424
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54984	0.9
53.00294	1.9
53.12700	0.9
55.05504	11.1
57.03418	6.6
57.07066	77.3
58.20923	1.1
67.05483	19.7
67.33649	1.0
69.07056	16.1
69.68377	1.1
71.08611	59.9
73.02900	1.1
75.04439	1.4
79.05460	1.9
81.07039	35.1
83.08597	17.1
85.02888	7.2
85.10163	31.7
89.05998	1.1
91.05446	2.2
92.23551	1.4
93.07039	5.3
95.01321	11.0
95.08585	52.3
96.04263	1.3
97.06514	1.1
97.10131	8.9
99.11688	1.1
105.07086	1.3
107.08553	2.9
109.10143	20.1
111.11696	1.5
113.02358	2.5
119.08596	2.5
121.10095	1.9
123.11694	6.7
131.03334	2.0
133.10109	1.6
135.08011	2.4
141.01785	12.3
145.10091	1.9
149.09538	1.1
151.07455	1.2
163.07475	2.0
173.53020	1.4
191.07056	2.6
222.06807	1.5
236.20082	1.4
239.23674	23.8
257.24689	5.8
313.27310	100.0
321.31903	1.2
326.76700	1.2
331.28400	30.0
331.99966	1.3
371.34305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49714	2.5
55.05492	19.9
57.07049	5.7
64.16817	2.3
66.80267	2.6
67.05500	23.0
69.03417	3.1
69.06764	2.5
69.07062	39.9
79.05471	6.5
81.06551	2.9
81.07035	79.1
83.08589	17.2
85.02875	6.3
91.05444	11.1
93.07010	18.7
95.04953	3.9
95.08580	100.0
97.02852	3.1
97.06501	2.9
97.10125	12.3
103.65301	2.8
105.07011	7.3
107.04941	4.5
107.08586	20.8
109.06501	5.4
109.10152	52.9
111.08043	3.3
111.11712	3.2
112.01820	2.6
119.08539	6.3
121.10113	16.9
123.11672	27.0
126.44650	3.2
129.07021	2.8
133.10095	5.8
135.11697	4.4
137.13225	5.0
139.11111	5.8
143.08493	3.0
145.10132	4.4
147.11649	4.3
149.13206	13.8
151.14799	18.0
175.14774	3.9
177.16429	3.6
197.15372	4.2
289.25220	4.4
307.26160	25.1
325.27295	5.4
424.30435	3.3
523.28497	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	523.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.7
55.05501	15.9
57.03420	6.2
57.07068	40.7
63.17902	2.8
66.98363	2.7
67.05480	29.1
69.04852	2.8
69.07043	18.3
69.18325	2.8
71.04978	4.5
71.08622	26.8
79.05476	20.6
81.03402	26.4
81.07027	48.1
83.04955	7.4
83.08600	16.4
85.02888	17.1
85.10179	4.6
91.05453	17.2
93.07038	16.5
95.04937	17.0
95.08589	34.3
97.10122	4.4
105.07010	22.0
107.04946	3.7
107.08604	6.4
109.10131	13.5
116.93394	3.2
117.07027	3.3
119.08556	20.7
121.10114	5.1
125.24769	3.7
129.07028	5.8
131.08551	6.5
133.10127	4.9
145.10094	4.5
157.10124	4.3
175.11125	3.6
185.13196	3.5
193.12228	16.1
211.13281	18.0
239.23540	3.6
267.15784	12.9
313.27264	13.8
431.85623	5.5
491.26089	4.0
505.38681	5.3
523.39868	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3988
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.4
53.03924	1.4
55.01863	1.5
55.05508	23.4
57.03432	14.2
57.07068	52.8
64.33417	0.8
67.05492	31.0
69.03431	1.0
69.07053	14.9
70.40166	0.8
71.04977	4.3
71.08616	30.6
79.05474	21.7
80.58399	0.7
81.03400	53.8
81.07041	40.6
81.43591	0.7
83.04970	9.6
83.08604	25.3
85.02887	25.8
85.03362	1.2
85.06512	1.3
85.10163	18.4
91.04954	1.5
91.05466	25.0
91.06009	1.4
92.64210	0.9
93.07020	16.6
95.04951	19.3
95.08582	31.4
97.02859	1.6
97.06567	0.9
97.10163	7.2
99.08138	0.8
105.07015	17.5
107.04961	3.4
107.08570	7.4
109.06513	3.3
109.10141	15.0
111.08092	4.6
113.06013	1.5
115.05460	1.5
117.06997	1.2
119.08571	18.6
121.06466	0.9
121.10102	9.6
123.08059	1.3
123.11702	4.1
125.09606	1.0
129.06990	9.1
131.08543	8.4
133.06496	1.8
133.10143	6.5
137.09598	1.0
142.07758	0.9
143.08482	0.9
145.10132	1.5
147.08043	0.9
147.11693	8.7
149.09590	4.6
157.10106	10.2
159.11673	0.9
163.11110	1.1
165.12781	1.5
175.11183	8.4
193.12236	22.6
203.67018	0.8
211.13226	20.3
239.23753	3.2
265.80014	0.8
267.15887	13.8
313.27292	11.0
409.20209	0.8
505.38544	8.8
523.39874	100.0
524.39905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.399
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25472	0.7
51.77053	0.7
53.00296	0.8
53.03936	1.9
55.01870	2.0
55.05504	13.4
57.03143	0.9
57.03424	26.2
57.07064	44.1
67.05488	22.9
69.03422	0.9
69.07049	11.8
71.08612	25.8
79.05478	13.7
79.49894	0.8
81.03396	100.0
81.07037	24.4
81.07476	1.5
83.04970	4.6
83.08594	22.6
85.10168	13.8
89.06043	1.0
91.05460	18.3
93.07021	10.4
95.04945	21.9
95.08578	21.3
97.02860	1.0
97.10148	6.3
103.07591	1.2
105.07013	15.9
107.04942	6.4
107.08585	5.1
109.06488	1.8
109.10135	9.2
111.04402	1.2
111.08073	4.4
117.07014	1.2
119.08561	15.4
121.06487	1.9
121.10127	4.2
123.08060	1.2
123.11721	1.9
123.34209	0.9
125.09686	1.0
129.06978	9.7
131.08539	9.3
133.06490	2.2
133.10115	2.2
137.00888	0.9
137.09604	1.1
142.07791	4.4
145.10091	1.1
147.08044	1.8
147.11668	6.4
149.09587	3.3
153.57182	0.9
157.10097	7.4
175.11165	5.5
185.13150	1.0
193.12195	21.1
239.23782	0.9
249.14825	1.3
267.15866	55.9
313.27304	55.0
505.38773	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	523.217
Annotation	Lariciresinol-9-O-beta-D-glucoside
Peak:m/z	Relative Intensity
51.13329	0.2
52.67455	0.2
54.05137	0.2
54.81703	0.2
57.03409	0.4
62.66069	0.2
65.12639	0.2
67.05468	0.3
69.03402	0.5
85.02905	1.7
91.05446	1.9
97.02871	0.2
103.05404	0.3
106.47976	0.2
107.04926	1.4
107.51693	0.2
111.04387	0.3
115.05442	1.7
116.06221	0.4
117.06998	0.6
119.04877	0.4
120.35262	0.2
128.06200	2.4
129.06976	10.8
130.07799	0.4
131.04068	0.3
131.04855	1.9
131.08531	10.9
137.05922	1.9
141.05873	0.3
141.06972	9.6
143.04878	0.5
143.08528	0.9
144.05688	1.4
145.06444	1.5
145.33330	0.2
146.07268	0.9
148.05223	0.3
151.07526	0.3
153.06886	0.3
157.06465	8.4
158.07256	5.7
159.04387	0.6
159.08015	10.0
160.05188	1.7
161.05943	0.4
161.09598	1.2
162.06696	0.4
163.07468	0.9
169.06412	5.6
169.07610	0.5
170.07188	1.9
171.07947	0.4
173.05884	0.9
173.09624	0.2
174.06720	25.1
175.07497	4.4
183.08009	0.5
186.06718	4.8
187.07465	0.4
188.08340	1.3
189.09062	40.4
190.09560	0.3
191.10609	3.4
201.09071	14.7
203.10619	0.5
207.10127	0.5
219.10120	100.0
220.10411	1.1
229.08575	1.4
237.11072	0.4
241.08543	1.6
243.88420	0.2
253.08472	0.4
271.09637	0.4
299.75455	0.3
391.13739	0.4
400.93744	0.3
491.17474	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
54.81873	1.5
55.01841	1.8
55.05507	18.2
57.03425	2.3
57.07055	10.3
61.02906	1.8
62.34297	1.4
67.05489	37.1
69.03396	7.1
69.07055	40.2
69.07407	2.9
70.06563	14.6
71.08595	2.0
79.05468	27.2
81.03344	1.5
81.07035	100.0
82.82687	1.6
83.04977	2.1
83.08594	14.5
85.02888	16.8
85.06529	20.5
91.05464	21.5
93.07021	54.4
95.04937	6.9
95.08584	98.0
97.02859	3.4
97.06483	3.7
97.10184	12.0
99.08058	9.0
103.05446	2.2
105.07008	38.7
107.08575	51.4
109.10139	48.7
111.08064	2.4
111.11710	5.4
113.09605	1.8
117.06972	6.0
119.08562	33.7
120.08096	2.0
121.10120	39.8
123.08101	2.2
123.11684	22.6
125.09637	6.8
127.03873	2.0
131.08540	10.2
133.10103	34.4
135.11658	28.2
137.09560	6.8
137.13203	3.6
139.11183	2.4
145.10107	17.3
147.11673	24.6
149.13220	24.3
151.14726	2.1
153.12726	1.9
159.11703	13.5
161.13239	15.5
163.11162	1.7
163.14790	15.6
165.12694	3.2
173.13237	8.1
175.14793	9.8
177.16330	3.4
187.14735	2.9
189.16385	6.8
191.17841	2.2
201.16348	7.0
203.17924	3.0
207.17307	2.3
215.17896	7.7
229.15396	3.2
271.24066	16.3
277.25189	8.5
289.25168	38.3
291.14850	1.4
295.26135	2.1
307.26285	25.7
325.27420	6.0
391.51599	2.0
416.38318	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.3473
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03911	2.6
55.05497	25.4
57.03429	4.2
57.07058	11.4
64.33060	2.5
67.05486	40.6
69.03409	6.0
69.06773	2.2
69.07059	36.8
71.04974	14.4
71.67542	2.1
73.22655	2.3
73.51578	2.7
79.05477	36.6
79.42023	2.1
80.48247	2.3
81.03400	2.0
81.07038	100.0
83.04970	4.3
83.08595	18.5
85.02888	21.7
85.06515	14.5
88.74651	2.2
91.05455	24.6
93.07022	67.1
95.04925	5.6
95.08009	4.4
95.08587	100.0
97.06479	9.8
97.10150	9.0
99.08041	4.4
105.07009	45.8
107.08590	53.7
109.06516	4.1
109.10142	48.9
109.97543	2.3
111.08025	4.1
117.06958	2.9
119.08569	33.8
121.10126	32.4
123.04387	2.6
123.11687	31.8
125.09608	6.0
127.11180	3.0
129.05464	3.2
131.08530	11.7
133.10098	33.7
135.11679	29.6
137.09639	4.2
137.13242	4.0
139.11180	2.5
145.10092	10.2
147.11626	24.8
149.13217	22.9
151.14795	3.1
153.05449	4.7
159.11685	12.3
161.13200	21.6
163.03874	2.5
163.14793	10.5
165.05492	2.9
165.12708	2.8
171.43710	2.5
173.13245	4.0
175.14822	9.9
177.16335	4.5
182.80673	2.7
187.14777	5.0
189.16330	3.4
215.18114	4.4
217.34828	2.3
244.85936	2.4
271.24139	14.2
289.25217	36.9
307.26279	26.3
325.27234	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	522.2907
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	5.9
55.01845	10.8
55.05496	19.4
57.03409	16.4
57.07054	4.5
61.02900	10.1
64.33196	2.8
66.14970	2.4
67.05493	20.8
67.90569	2.1
69.03413	44.0
69.07056	26.2
71.04971	23.2
73.02898	36.0
79.05470	21.8
81.03390	21.6
81.07035	100.0
83.08580	11.5
85.02890	81.5
87.00817	33.0
87.04438	3.8
89.33866	2.6
91.05449	16.1
92.08669	8.0
93.07024	47.5
95.04948	5.4
95.08578	51.7
97.02865	47.4
97.06489	3.8
97.10158	2.7
99.04426	9.9
101.48007	2.3
105.01850	20.1
105.07008	49.0
107.08574	69.5
109.02882	17.0
109.10133	58.6
115.03919	5.7
117.07054	3.3
119.08556	57.9
121.10119	27.9
123.08023	2.7
123.11676	21.1
127.03883	30.6
127.11136	13.6
131.08525	5.9
133.04915	5.8
133.10103	34.8
135.11653	70.9
137.13217	2.5
143.08510	4.1
143.10670	3.0
145.04921	17.4
145.10071	9.2
147.11676	26.4
149.13225	15.7
153.12628	3.9
157.10075	4.1
159.02827	3.7
159.11624	5.0
161.13257	6.0
171.11574	3.3
175.14882	3.4
177.16402	3.7
179.08455	3.2
203.17929	44.0
210.36740	2.4
221.18948	45.0
231.04881	3.5
239.19948	2.6
276.24216	2.5
305.24542	5.2
323.25702	3.7
504.85132	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	2-Oleoyl-sn-glycero-3-phosphocholine
Peak:m/z	Relative Intensity
52.45869	0.4
54.72734	0.5
55.05491	3.2
55.54468	0.4
56.05021	0.6
57.03408	0.8
57.07059	0.9
58.06581	1.9
60.07864	0.9
60.08153	21.6
66.01028	0.4
67.05486	2.7
69.07052	4.5
71.07359	8.7
79.05483	0.7
81.07030	3.2
83.08603	2.4
85.10147	0.5
86.09690	64.2
87.22872	0.5
90.98264	0.5
91.05456	0.6
92.09290	0.7
93.06999	2.4
95.08595	3.1
97.10145	0.8
98.98433	5.0
104.10725	95.5
105.06994	0.8
107.08582	2.8
109.10157	1.1
119.97447	0.5
121.10128	0.9
124.99981	39.9
131.08575	0.6
135.11687	1.1
140.01721	0.5
164.76564	0.4
184.07309	100.0
213.16374	0.5
246.31044	0.5
307.73486	0.6
325.27173	0.5
339.28922	1.9
340.12885	0.6
409.96945	0.5
504.34427	7.5
522.35443	40.2
547.81720	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.3553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.52177	0.1
54.81812	0.1
55.05502	0.9
56.05020	0.5
56.97213	0.1
57.03416	0.5
58.06581	0.2
58.13298	0.1
60.08149	8.3
63.40815	0.1
67.05500	1.0
69.07040	1.1
71.07352	3.3
76.12399	0.1
79.05474	0.9
81.07048	1.4
83.04969	0.2
83.08595	0.5
85.73090	0.1
86.09685	45.2
90.30259	0.1
91.05447	0.6
93.07025	1.3
95.08581	0.7
97.06482	0.3
97.10198	0.2
98.98437	3.6
104.10715	3.7
105.06998	0.7
107.08569	0.7
109.10128	0.7
116.56644	0.1
119.08543	0.5
121.10091	0.3
123.11650	0.1
124.99973	33.5
131.08516	0.2
133.10083	0.2
135.11711	0.1
139.59499	0.1
140.43211	0.1
143.01044	0.7
145.10059	0.3
147.11626	0.1
159.11684	0.2
161.13173	0.2
184.07297	100.0
185.07657	0.2
334.75308	0.1
347.29626	0.2
349.13544	0.1
384.68900	0.1
504.34207	0.7
522.28131	0.2
522.35425	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	523.2111
Annotation	Baeckea frutescens 6
Peak:m/z	Relative Intensity
53.25171	1.0
54.51025	1.0
54.81463	1.3
63.56227	1.0
67.05488	1.3
79.05487	2.6
81.07021	2.4
91.05466	2.6
92.19294	1.0
95.08533	1.0
99.33212	1.1
105.07020	6.2
107.04939	100.0
119.08654	1.0
121.06521	2.2
131.04906	32.3
133.06474	1.8
137.05963	5.4
145.06406	2.1
150.38809	1.2
151.07507	9.6
161.05888	1.6
163.07564	1.4
164.51749	1.2
175.07538	6.7
223.07526	2.3
238.09909	4.5
239.07031	1.9
239.46147	1.3
243.10173	2.1
253.08553	1.7
254.09421	2.5
265.08563	4.4
269.11679	31.7
269.14362	2.2
279.10144	4.7
289.40759	1.2
330.60443	1.3
359.12787	1.2
385.14322	11.6
403.15286	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	521.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
55.06342	0.4
73.36813	0.4
73.64903	0.4
74.02411	0.9
77.13817	0.4
85.02868	0.5
87.52641	0.5
91.05426	0.4
93.90843	0.5
102.94901	0.4
105.07019	3.1
115.05435	0.7
117.07035	1.6
118.06520	24.1
118.07365	0.8
122.09645	0.8
130.06485	1.8
132.08069	7.7
132.47801	0.4
136.83856	0.5
142.06503	2.4
143.07253	2.3
144.08067	20.4
145.02809	0.8
146.05988	86.7
148.52869	0.4
159.09160	8.8
160.07562	1.6
170.05984	5.6
177.05394	0.9
188.07030	100.0
189.07408	0.5
205.09688	26.4
244.49110	0.5
262.07263	0.5
459.01260	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	521.272
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58811	0.8
52.79876	0.7
55.05506	0.8
79.23009	0.8
81.07037	1.6
91.05463	1.1
93.07059	1.3
95.04925	0.9
95.53007	0.9
105.07005	1.2
110.03023	0.9
359.21854	100.0
521.27142	57.4
521.34204	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	521.2721
Annotation	Unknow
Peak:m/z	Relative Intensity
58.74147	0.6
59.92759	0.7
64.72894	0.7
67.05491	1.5
70.92645	0.8
75.19859	0.7
76.56525	0.9
81.07059	0.9
92.09325	2.8
93.07072	1.0
95.08591	1.2
107.08596	1.5
109.10141	1.0
130.05141	0.8
344.29803	0.9
359.21872	100.0
369.63898	1.1
442.77448	1.1
464.27127	0.9
521.27179	64.1
521.33923	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.181
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03415	0.6
61.02915	0.5
62.54922	0.3
69.03391	1.8
73.59781	0.4
79.05456	0.4
81.03392	0.7
84.04495	0.4
85.02884	7.3
89.03860	2.8
92.63040	0.4
97.02853	2.5
100.22353	0.4
103.65727	0.4
107.04912	1.7
109.02846	0.5
117.03354	4.4
127.03873	1.7
135.04379	18.9
139.03894	0.6
145.02808	14.8
145.04875	0.6
147.04376	0.5
163.03859	100.0
164.04283	0.5
172.97079	0.4
175.07513	0.5
181.04900	23.9
188.07123	0.5
188.57928	0.4
198.09792	0.4
231.58972	0.4
249.11998	0.4
339.11554	0.4
373.61935	0.4
417.15729	0.5
459.00461	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	522.218
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03426	0.7
58.60077	0.3
59.72573	0.3
61.02899	0.8
69.03407	2.2
70.88505	0.3
81.03381	0.8
85.02886	7.3
89.03891	0.6
91.03970	0.3
91.05508	0.3
97.02885	2.0
103.05446	32.9
107.04964	0.7
109.02865	0.6
117.03341	2.2
127.03895	1.4
131.04900	100.0
135.04381	7.9
137.05975	1.7
145.02800	7.3
145.04840	1.1
161.90491	0.4
163.03870	49.8
163.07497	26.5
181.04936	10.9
198.02165	0.7
213.33258	0.3
336.03018	0.4
349.64148	0.4
410.06656	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	4.6
53.03941	4.0
54.46749	4.3
55.01874	7.3
55.05496	23.1
57.03431	8.7
67.05491	22.3
67.95293	4.2
68.67023	4.1
69.03421	26.9
69.07044	27.9
69.49319	4.1
71.04963	22.2
79.05463	20.0
81.03376	6.3
81.07043	73.0
81.70074	4.1
83.04955	4.8
85.02892	47.2
85.06525	6.5
87.00806	23.0
91.05472	26.2
93.07033	41.0
95.04948	8.1
95.08592	37.5
97.02866	23.3
97.06531	8.9
97.10161	7.3
99.08086	18.0
105.01852	19.5
105.07013	69.8
107.08589	47.1
109.02875	5.8
109.06474	5.0
109.10133	30.4
111.04422	10.5
111.08046	6.5
119.08594	46.1
121.06506	5.7
121.10111	30.9
123.04385	5.7
123.11710	8.3
125.09591	31.2
127.03903	32.3
128.11568	4.5
131.08488	16.5
133.10112	76.5
135.11674	8.7
135.51852	3.9
137.05951	5.6
139.03883	100.0
143.10622	42.5
145.10110	36.5
147.11690	29.9
149.05956	5.0
149.13268	21.8
151.43607	4.4
153.05481	6.4
158.56943	4.6
159.11694	11.2
161.05913	5.8
161.13271	10.5
163.03468	4.9
167.14297	6.3
173.13170	6.8
191.14363	8.9
191.17915	5.3
201.16328	22.5
219.17339	35.6
227.65074	5.1
237.18414	5.0
369.12988	5.9
428.09146	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	520.2752
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.6
55.01861	19.5
55.05497	64.5
57.03417	5.3
64.13218	4.6
67.05488	47.1
69.03413	38.1
69.07057	54.7
71.04971	33.1
79.05474	42.6
81.03397	31.2
81.07043	100.0
83.04960	9.4
83.08560	5.3
85.02891	80.8
85.06551	10.0
87.00811	33.3
91.04949	4.4
91.05433	40.5
93.07027	80.2
95.04945	7.8
95.08579	80.6
97.02886	34.8
97.06487	21.1
97.10124	6.5
99.04430	11.8
99.08100	7.0
105.01855	22.0
105.07014	86.0
107.08579	78.5
109.02860	9.6
109.06520	28.0
109.10143	52.2
111.04447	5.8
111.11707	7.4
117.07018	9.2
119.08566	54.6
119.36736	5.0
121.10122	96.5
123.04417	7.5
123.08085	6.3
123.11677	25.7
125.09598	7.0
126.94873	5.2
127.03912	45.0
131.08551	30.2
133.10092	69.3
135.11685	26.2
136.12033	5.2
137.05939	6.8
137.09648	8.8
137.13202	6.5
137.63564	4.4
139.03896	19.8
143.08557	6.8
143.10620	8.4
145.04968	10.9
145.10123	50.1
147.11656	20.2
148.02542	5.0
149.09607	8.8
149.13269	7.1
151.11200	8.7
159.02838	5.4
159.11642	38.9
161.13237	27.9
163.11163	9.8
167.14294	20.9
173.13188	19.1
175.14763	8.8
177.16371	4.9
201.16364	57.6
219.17381	56.4
226.18108	5.8
237.18431	11.5
305.21136	6.3
372.06274	5.3
492.31137	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	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37302	0.4
54.58345	0.4
56.05030	0.5
59.20014	0.5
60.07905	0.5
60.08149	8.7
67.05479	0.6
69.07036	0.6
71.07356	3.5
81.07029	0.5
82.96918	0.4
86.09690	48.1
98.98430	4.1
104.10721	3.2
124.99981	37.2
184.07306	100.0
185.07738	0.6
239.64844	0.4
340.83121	0.5
383.81046	0.4
388.99622	0.4
502.32858	0.8
520.34186	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	520.3396
Annotation	Unknow
Peak:m/z	Relative Intensity
53.84708	0.7
55.05500	3.0
56.05021	1.1
58.06591	1.0
59.86144	0.7
60.07869	1.1
60.08152	25.2
60.26746	0.7
61.03078	0.7
61.94339	0.7
67.05482	4.4
69.07053	0.9
71.07351	9.7
73.25088	0.8
79.05477	1.4
81.07035	5.0
86.09689	73.2
92.09351	1.0
93.07000	1.3
95.08574	4.2
98.98427	4.7
104.10723	98.0
119.08537	1.0
121.62345	0.7
124.99976	45.8
129.49100	0.9
163.01634	0.9
184.07301	100.0
201.61446	1.0
252.32980	0.8
337.02261	0.8
502.32867	6.0
520.33893	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	520.3478
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59093	2.0
51.68169	2.0
55.05501	13.7
57.07064	10.0
57.62397	2.0
59.95233	2.0
60.28840	1.7
64.67930	2.2
67.05489	19.1
69.03420	12.0
69.07056	46.5
69.84599	2.4
71.04965	10.0
71.08604	3.1
79.05458	4.9
81.07037	61.8
83.08593	20.5
85.02874	4.3
91.05469	10.8
92.08669	4.7
93.07027	22.4
95.08582	55.6
97.02908	3.5
97.10143	4.6
104.69607	2.5
105.07024	26.3
107.08575	38.7
109.06517	2.9
109.10146	73.6
117.14027	2.2
119.08566	21.6
121.06469	2.6
121.10131	42.4
123.11681	22.0
131.08545	4.7
133.10109	33.3
135.11679	13.1
135.38057	2.5
137.12297	2.6
137.13242	14.7
145.10048	3.4
147.08087	3.2
147.11685	16.3
149.09593	5.9
149.13268	10.2
159.11641	3.4
161.09607	33.5
161.13284	5.1
163.11128	3.2
163.14735	2.8
175.14784	3.4
177.16423	2.8
179.10674	4.1
181.12228	5.5
201.16374	4.2
221.02188	2.5
259.24197	9.6
277.25125	11.5
287.23495	9.8
305.24667	100.0
323.25693	18.1
375.15909	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	520.2181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
55.01855	0.7
55.05503	4.1
61.44044	0.5
67.05486	2.6
68.54482	0.5
68.99782	0.7
69.03412	3.6
69.07043	3.5
70.06541	0.6
71.04952	2.8
73.41994	0.4
79.05470	4.0
81.03405	0.9
81.06592	0.7
81.07044	11.8
82.23103	0.5
83.04960	1.0
83.08589	0.8
85.02890	5.3
85.06523	1.0
87.00813	3.1
91.05433	4.6
93.07014	6.5
95.04932	1.2
95.08584	6.4
96.08922	0.5
97.02871	2.4
97.06519	2.1
99.04382	0.5
99.08071	1.2
100.52336	0.5
105.01840	2.1
105.07018	12.1
107.04967	0.7
107.08589	7.6
107.75372	0.5
109.02892	0.5
109.06528	2.6
109.10163	4.7
111.04424	4.6
111.08019	0.8
115.03929	0.5
115.05391	0.9
117.06997	0.9
119.08556	8.2
121.06434	0.6
121.10127	5.1
122.10564	0.6
123.04358	4.2
123.08057	0.6
123.11691	2.2
125.05954	0.6
125.09599	3.9
127.03879	3.0
127.07503	0.7
127.11157	0.8
129.06970	0.8
131.04881	2.3
131.07637	0.5
131.08540	2.8
133.10107	13.2
135.04393	0.6
135.08054	0.6
135.11670	3.2
137.05936	0.7
137.09584	0.7
139.03882	100.0
143.08549	0.6
143.10684	6.0
145.05011	1.0
145.06451	0.9
145.10072	4.4
147.08051	0.6
147.11703	4.4
149.05962	3.5
149.09589	0.7
149.13286	2.3
151.03873	0.7
151.11093	0.7
153.05472	1.2
155.08507	0.7
157.10092	0.6
159.11642	3.0
160.05199	2.2
161.05962	4.6
161.13191	2.1
163.03854	4.9
163.11118	0.7
165.06860	0.6
167.14275	0.7
169.10110	0.8
171.07938	0.6
173.05951	2.9
173.09564	0.8
173.13152	0.7
174.06628	0.6
175.07594	2.0
177.05470	0.6
177.09023	0.9
177.12801	0.6
179.03355	1.2
179.08658	0.7
181.04935	0.8
184.67628	0.5
187.07480	1.1
189.09091	5.0
191.10622	3.1
201.05437	2.0
201.09088	4.1
201.16367	2.1
205.08618	0.7
210.06741	0.7
213.09106	0.6
215.10698	1.0
219.08257	0.7
219.10100	5.6
219.17357	6.5
225.09090	1.0
231.10152	2.3
237.18449	0.9
243.10162	3.1
267.10107	0.6
285.07697	0.7
295.05984	2.1
297.07172	0.7
313.07181	1.0
325.10641	0.8
351.12158	2.6
369.13196	4.9
519.23560	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	520.2022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	14.5
59.14655	1.6
67.05501	1.8
69.03408	11.3
71.04977	2.0
73.02900	9.2
76.56258	1.6
81.03409	4.0
85.02897	15.1
91.05464	3.3
92.08723	3.6
97.02896	7.1
105.07001	2.9
109.02855	3.7
111.04418	2.1
121.06445	3.2
127.03915	2.6
128.06224	2.9
129.06953	2.1
139.03970	2.1
139.07544	17.0
141.06961	2.7
146.07242	2.6
148.05084	2.0
151.07512	2.3
153.01828	23.7
153.06958	1.7
154.02127	3.7
157.06467	3.0
158.07242	9.4
159.07959	3.1
160.05154	3.9
161.05951	7.0
162.06676	11.4
163.07495	35.9
167.06987	28.2
168.05696	2.1
168.24393	1.8
171.07997	2.9
172.08827	10.6
174.06749	24.4
175.07526	28.3
176.08307	2.8
177.09108	4.2
183.08046	3.1
184.05118	2.6
184.08881	3.1
185.05980	7.2
186.06769	2.5
187.07483	3.1
188.08295	11.2
189.09059	65.3
190.06215	34.9
191.06999	100.0
192.07756	3.7
193.08684	2.7
197.05936	7.1
198.06729	9.3
199.07507	3.4
200.08252	6.8
201.09041	6.9
202.06232	3.4
203.07011	45.4
203.10648	19.4
204.07674	2.2
204.34756	1.9
205.08475	21.0
209.08063	19.2
212.08362	7.0
213.05424	4.2
213.09091	8.1
214.06290	7.4
215.06982	21.0
215.10637	3.7
216.07808	3.5
217.08562	61.5
218.05711	3.0
219.06499	10.3
221.08044	4.1
226.06172	4.4
227.07007	12.4
228.07768	8.0
229.08495	8.9
231.06482	8.0
231.10097	22.7
233.08017	23.7
235.09622	7.6
236.06834	4.0
241.08546	71.9
243.10130	19.2
244.07202	2.1
245.08052	35.2
249.07516	13.4
257.08154	2.2
258.74850	1.9
259.09595	72.1
261.07596	3.3
263.09113	28.0
275.09070	8.3
277.10654	9.0
287.09067	86.5
305.10138	54.1
323.11215	32.4
341.12296	7.0
352.63638	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2926
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55139	1.7
54.81680	2.4
55.05488	2.4
56.21791	1.6
60.73657	2.0
67.05487	4.4
79.05473	2.5
81.07029	4.5
86.42498	2.5
91.05432	3.7
93.07033	3.0
95.04939	3.0
105.07018	3.2
107.08599	3.1
119.08564	2.9
141.53157	2.0
175.80525	2.1
176.91798	2.2
189.06635	2.6
236.14868	2.0
519.29187	100.0
519.36060	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	519.3159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	1.1
53.03923	1.6
54.81764	1.2
55.05257	1.4
55.05497	19.3
57.03419	2.4
57.07056	5.4
59.04988	10.8
65.03916	1.5
66.75496	1.1
67.05486	34.2
69.03408	6.4
69.07048	100.0
71.04969	6.6
79.05476	17.0
81.07032	69.6
83.04950	6.8
83.08607	9.4
85.02878	8.3
85.06521	2.4
87.04441	2.0
91.05448	15.7
92.09178	1.3
93.07018	65.9
95.04939	16.9
95.08002	2.3
95.08575	55.2
97.06503	10.2
97.10137	5.9
99.08070	2.3
105.07005	48.0
107.08570	74.5
107.09294	2.7
109.06478	7.3
109.10133	82.2
111.04414	2.1
111.08051	5.8
111.11697	19.7
112.16125	1.2
117.07021	1.4
119.08549	46.9
121.06480	2.3
121.10115	43.8
123.08045	4.5
123.11658	22.6
125.06005	1.9
125.09610	2.3
131.08522	9.2
133.10089	30.5
135.11662	66.3
137.09596	4.7
137.13234	2.8
139.03865	2.1
139.07487	2.2
139.11139	17.1
143.08537	4.3
145.10115	22.6
147.11655	61.9
149.09584	2.5
149.13211	10.4
153.12708	2.7
157.10081	2.4
159.11664	16.3
161.09619	5.2
161.13217	19.0
163.11118	2.1
163.14809	2.3
165.12718	6.0
169.10022	1.7
171.11664	4.3
173.09540	1.9
173.13190	10.1
175.11211	2.1
175.14787	19.2
177.12836	1.1
177.16394	2.5
187.14751	8.4
189.16409	2.5
193.15831	5.0
199.14798	1.5
201.12764	1.6
201.16299	10.3
203.14204	1.7
203.17915	22.7
207.13762	1.6
211.14796	1.5
215.17879	1.7
219.13753	1.5
221.15320	5.9
221.18806	1.6
229.15822	4.9
243.20879	1.8
247.16794	2.8
256.00320	2.5
257.22614	10.9
267.21085	2.0
285.22089	14.0
287.05481	2.0
303.23093	87.0
317.92035	1.2
321.24164	26.5
519.32178	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.352
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10990	1.8
51.64105	1.9
52.45803	1.7
53.03926	2.8
55.01855	3.1
55.05496	19.8
57.07044	2.8
67.05488	33.7
69.03413	3.4
69.07050	28.2
71.04961	4.9
79.05460	15.7
81.03375	3.3
81.07035	100.0
83.08597	5.8
85.02878	4.9
85.06518	2.9
91.05446	16.1
93.07019	34.6
95.04945	4.1
95.08008	3.7
95.08578	65.7
97.02886	2.9
97.06491	9.4
99.04420	3.6
105.07011	27.1
107.08572	42.9
109.06456	8.9
109.10130	45.1
111.04382	19.2
111.08048	3.0
119.08528	23.3
121.10118	34.1
123.08041	11.4
123.11686	32.8
125.05968	30.5
131.08492	4.0
133.10126	21.4
135.08018	3.7
135.11693	20.2
137.05936	11.8
137.09572	4.4
137.13190	5.4
139.03896	2.9
139.07600	3.6
141.05438	10.1
143.08537	4.5
145.10085	11.6
147.11667	18.9
149.13202	3.2
153.05440	49.0
153.09085	3.5
157.10059	2.5
159.11659	5.6
161.13301	3.4
167.10558	2.9
175.11142	5.4
175.14813	4.8
177.08949	3.5
179.10663	5.3
189.12703	3.3
189.16335	3.8
192.60652	2.5
193.12209	3.6
195.10118	5.2
203.14284	2.7
217.19421	2.9
227.35391	2.2
231.54260	2.8
289.17935	4.8
291.15860	3.6
411.28751	14.6
429.29929	20.9
447.31021	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	520.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
54.68026	0.3
55.01849	2.0
58.72441	0.3
61.02902	0.6
64.33281	0.3
66.43996	0.3
69.03416	0.9
81.03425	0.4
83.01347	0.5
85.02892	4.2
91.05455	3.5
92.63798	0.3
95.04928	1.6
97.02850	1.6
103.12872	0.4
105.03304	0.6
105.06992	0.6
107.04931	5.1
109.02831	0.5
119.04905	15.8
123.04401	24.4
127.03867	0.6
131.04890	4.2
133.02821	5.4
133.06470	8.3
135.04388	2.5
145.06442	0.6
147.04379	100.0
148.04710	0.5
149.05930	2.6
159.04370	0.9
161.02298	6.5
161.05940	14.5
165.05441	7.6
171.04340	2.9
173.05945	2.0
176.74600	0.4
177.05392	1.7
179.03345	3.2
187.03841	6.9
189.05432	24.9
197.06035	0.6
199.03864	11.3
201.05391	0.5
205.04947	1.8
217.04912	29.8
235.06050	0.7
245.04398	1.6
263.05435	31.1
305.06497	2.6
323.07538	41.3
341.08664	2.2
407.94098	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3235
Annotation	Unknow
Peak:m/z	Relative Intensity
60.08149	9.5
71.07349	3.1
86.09686	46.2
92.09389	1.0
93.07051	0.7
98.98461	4.0
104.10722	4.1
124.99975	32.8
153.01074	0.5
158.92664	0.5
184.07301	100.0
194.65092	0.6
307.26184	0.6
343.69382	0.5
367.11600	0.6
377.63324	0.6
500.31613	0.8
518.32544	2.6
518.56537	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3236
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80278	0.5
54.86751	0.5
55.05485	0.9
56.05009	0.6
56.56364	0.4
57.03430	0.6
58.06575	1.2
60.07856	0.9
60.08147	22.9
67.05495	3.8
69.07038	1.0
71.07356	9.5
79.05450	2.9
81.07049	3.7
82.64818	0.5
86.09682	77.1
91.05481	2.1
93.07005	2.9
95.08585	1.1
98.98433	5.6
104.10715	98.7
107.08598	0.7
124.99966	47.9
136.53072	0.5
146.21812	0.5
155.92183	0.5
158.40533	0.5
161.07817	0.5
164.27481	0.5
184.07291	100.0
193.00908	0.6
258.11044	0.8
275.44482	0.6
291.45135	0.5
335.25552	0.6
404.56747	0.6
492.43463	0.5
500.31326	7.5
518.32318	40.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.3324
Annotation	Unknow
Peak:m/z	Relative Intensity
52.53451	1.4
55.05516	12.8
57.07056	7.9
57.99213	1.4
62.45440	1.5
65.03878	1.5
67.05494	19.4
69.03407	8.0
69.07055	40.5
71.04979	7.8
79.05479	16.9
81.07040	86.6
83.04957	2.1
83.08603	8.1
85.02892	10.7
85.06532	3.9
91.05461	11.2
93.07024	33.0
95.04963	2.0
95.08588	42.7
97.02851	2.7
97.06510	2.9
97.10158	3.6
105.07022	37.2
107.08579	44.0
109.06492	3.1
109.10133	48.4
117.07050	2.8
119.08561	30.8
121.06487	2.3
121.10131	43.4
122.61951	1.7
123.08047	2.7
123.11674	27.8
125.09601	2.2
127.60148	1.5
131.08545	12.7
133.10103	28.4
135.08092	6.4
135.11679	19.3
137.09581	3.3
137.13197	4.1
139.11206	3.0
143.08569	2.9
145.10106	16.7
147.08051	8.6
147.11664	18.5
149.09584	4.0
149.13249	9.1
155.08459	1.8
157.10126	3.9
159.11711	11.6
161.09579	26.1
161.13208	12.3
163.11180	2.8
163.14723	2.0
167.10622	3.8
173.09653	2.0
173.13226	10.9
175.11134	2.9
175.14784	9.9
177.16302	3.4
179.10683	2.4
187.14775	8.3
189.16304	2.4
193.12285	2.8
193.15785	1.9
197.13179	1.9
199.14868	2.2
201.16414	10.5
203.17953	4.1
229.15781	2.2
233.15309	2.1
235.16896	2.5
236.60718	1.8
243.21149	2.7
247.16905	6.8
257.22513	3.3
285.22031	12.2
302.76950	1.8
303.23148	100.0
321.24200	31.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	519.2925
Annotation	Segetalin G
Peak:m/z	Relative Intensity
53.61181	1.1
54.81633	1.0
55.05490	2.0
56.03246	1.2
57.09840	1.3
67.05487	3.0
79.05471	2.3
81.07063	4.9
93.07032	2.6
95.08585	3.1
107.08616	1.6
119.08589	1.9
122.33026	1.6
131.08629	1.4
133.10201	1.7
142.62579	1.5
194.33508	1.6
223.17213	1.5
235.13176	2.7
251.12544	2.4
279.81039	1.6
291.15704	3.0
307.15207	1.9
318.81805	1.6
518.35065	1.8
519.29187	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
60.20554	0.3
66.35488	0.3
67.05494	0.5
79.05476	0.4
81.07027	0.7
84.15546	0.4
93.07016	0.6
95.08588	0.8
105.06976	0.6
107.08543	0.5
119.08568	0.7
121.10130	0.4
132.93631	0.4
176.24913	0.4
210.31189	0.5
455.79144	0.4
511.87933	0.4
517.34888	100.0
518.35333	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3496
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68344	1.4
54.42402	1.8
54.81550	1.6
55.40480	1.5
58.30931	1.8
62.01248	1.6
64.33228	1.8
65.68242	1.6
79.05496	2.5
81.07040	9.0
87.39930	2.1
93.07021	2.4
95.08595	2.3
107.08601	2.2
119.08569	3.4
164.84521	2.1
219.06273	15.0
282.92136	2.0
305.66489	2.0
307.89499	2.0
316.37619	2.1
455.34906	2.4
473.36032	10.6
490.12567	2.5
516.32013	3.1
517.34833	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95976	2.7
55.05503	5.8
66.64239	2.8
67.05477	3.3
69.07046	3.9
73.86934	2.5
81.07030	27.4
82.51166	3.0
87.53175	2.7
90.39056	3.0
91.05461	5.4
93.07019	21.4
95.08582	15.7
105.07023	16.9
107.08566	18.9
109.10129	4.7
119.08569	12.9
121.10119	12.7
121.24934	3.1
131.08485	3.3
145.10043	3.5
159.11681	3.4
161.13164	3.8
176.15138	3.6
307.71277	4.0
309.96066	3.1
340.56064	3.5
457.26608	4.9
457.32816	100.0
459.76981	4.0
517.34467	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	517.4016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34035	0.8
55.05506	1.6
57.67501	0.9
67.05493	4.7
69.07069	2.2
79.05482	4.1
81.07041	12.6
81.96110	1.1
85.06525	1.1
91.05477	2.1
92.08646	2.0
93.07024	8.2
95.08598	6.7
97.14037	1.0
105.07012	8.6
107.08582	6.0
109.10135	4.8
119.08577	6.5
121.10128	4.3
127.93593	1.0
131.08607	1.7
133.10126	4.0
140.11473	1.0
147.11690	1.6
159.11670	1.5
190.88135	1.0
196.84096	1.1
227.17776	1.1
339.58759	1.4
422.04059	1.1
517.40082	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	518.1496
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99426	0.4
53.03918	0.7
55.01849	0.9
57.03419	2.6
61.02912	3.6
64.32590	0.3
64.93293	0.4
69.03407	7.4
71.01309	0.5
71.04964	1.8
71.99928	0.3
73.02888	1.6
79.14521	0.4
80.47540	0.4
81.03385	3.2
85.02884	25.6
89.03859	0.4
91.03932	0.6
97.02856	9.1
99.04424	1.6
103.05384	0.6
109.02853	2.6
117.03293	0.6
123.04386	2.8
127.03880	3.9
131.04886	2.4
133.02795	0.8
135.04373	4.1
137.05904	0.5
139.03873	0.5
145.02811	2.6
145.04933	1.8
146.01752	0.5
147.04372	11.8
149.02303	5.4
149.05923	1.7
159.04367	2.2
160.39267	0.4
161.05946	0.8
162.11586	0.4
163.03859	20.3
175.03821	3.4
175.07411	0.4
177.01782	8.2
177.05344	3.8
178.02583	0.6
187.03802	3.7
189.05351	1.7
191.03395	0.5
193.04900	10.9
193.48535	0.4
194.05267	5.2
195.02806	0.4
203.03349	100.0
205.04909	9.1
213.05447	1.8
215.03319	10.2
217.04921	0.5
219.02838	0.8
229.04880	1.9
231.02837	15.4
233.04422	7.2
238.11009	0.5
257.04425	0.8
259.05991	0.5
261.03836	8.7
279.01917	0.9
279.04904	15.4
279.07935	0.6
283.81027	0.4
291.04877	15.7
303.04773	0.5
321.05896	6.3
339.07010	23.0
357.08118	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3494
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96235	0.7
53.92876	0.9
54.81944	0.9
62.56548	0.8
67.05494	0.9
81.07028	1.2
95.08592	1.6
105.07008	1.1
161.99330	0.9
183.23335	0.9
479.86066	1.1
517.34882	100.0
518.35297	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.78603	1.5
67.05486	3.0
70.84691	1.8
71.13522	1.6
81.07038	2.3
81.61628	2.0
84.61594	1.8
85.46676	1.9
86.18859	2.1
101.61196	2.0
109.10198	2.0
151.25273	2.2
156.70143	2.2
198.56100	2.1
284.83316	2.2
447.08127	2.3
452.81891	2.2
516.33887	3.5
517.34857	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3497
Annotation	Unknow
Peak:m/z	Relative Intensity
79.33049	1.0
79.81364	1.0
79.96481	1.0
102.83413	1.2
152.59372	1.3
198.09305	1.2
331.63806	1.2
499.33636	2.2
517.34949	100.0
528.70581	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	517.3002
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92162	1.8
55.05506	20.6
57.03453	2.5
57.07044	2.5
61.02873	2.2
65.03934	2.3
67.05492	47.7
69.03412	8.6
69.07056	22.4
69.32310	1.8
71.04984	20.2
76.56522	2.0
79.05475	25.4
81.07040	73.2
83.04948	12.2
83.08595	8.9
85.02884	8.1
85.06513	3.8
85.90776	2.0
91.05465	24.7
93.07022	56.1
93.20112	2.3
95.04928	23.3
95.08590	50.4
97.06496	9.7
99.08060	3.3
105.07010	68.7
105.07670	4.0
107.04953	2.8
107.08572	59.4
109.06503	18.7
109.10139	94.5
111.04378	2.2
111.08053	3.1
111.11739	2.1
117.06995	10.1
119.08566	56.1
121.06482	4.8
121.10117	39.5
123.04403	36.0
123.08052	12.3
123.11683	9.5
124.04745	10.0
125.05967	11.0
125.09599	3.1
127.11175	8.4
129.06984	4.1
130.07747	3.5
131.08553	31.6
133.10106	65.5
135.08040	10.8
135.11676	19.5
137.09593	12.0
137.14388	2.4
139.03876	41.9
140.04237	10.2
142.07692	2.4
143.08542	11.7
145.10114	48.7
147.08037	4.1
147.11664	38.7
149.05898	2.3
149.09610	4.5
149.13246	4.4
151.11183	5.0
155.08527	2.7
156.09303	3.3
157.10124	19.5
158.10721	2.2
159.11664	41.8
161.09636	8.8
161.13234	14.1
163.11150	4.6
165.12708	4.2
167.07068	2.4
169.10143	4.5
171.11679	15.3
173.09592	2.4
173.13237	34.3
175.11118	2.4
175.14751	3.2
178.33803	2.4
183.11626	2.9
185.13231	8.4
187.14793	22.5
191.14307	8.2
197.13225	8.8
199.14781	12.1
201.16284	22.6
203.14278	3.8
205.15860	2.4
209.13203	2.4
213.12654	2.6
213.16321	5.0
215.14311	9.6
233.15302	2.9
239.14140	2.8
255.21037	4.9
265.19318	2.7
273.07422	3.4
273.22037	3.6
274.07974	4.0
283.20477	17.9
301.21533	100.0
319.22681	15.7
331.35132	2.2
421.80792	2.5
427.27707	2.4
517.29132	14.5
517.37952	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	517.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81859	2.1
55.01867	4.9
55.05497	15.9
56.91823	1.8
56.96549	2.8
59.62797	1.7
67.05489	60.1
69.03414	14.9
69.07052	21.9
71.04974	20.2
71.67260	2.3
79.05470	24.5
81.07032	69.0
83.01363	2.0
83.04970	10.4
83.08626	3.6
85.02867	7.6
85.06540	3.8
91.05466	17.9
93.07018	43.9
95.04945	29.8
95.08585	53.1
96.05347	2.2
97.06535	17.1
97.10145	3.1
98.97577	3.5
99.04418	3.6
99.73717	2.2
105.07011	53.4
107.04908	3.3
107.08568	59.7
109.02876	2.2
109.06509	15.7
109.10140	94.3
109.10862	4.5
111.08064	4.6
112.06758	2.0
116.98603	2.6
117.07000	8.9
119.08559	47.4
121.06482	9.2
121.10116	31.0
123.04424	2.3
123.08060	13.6
123.11680	13.7
125.05970	100.0
125.09608	4.1
127.11176	13.2
131.08548	20.1
133.10091	44.5
133.87537	2.0
135.08087	15.3
135.11693	15.3
137.09608	16.1
143.08534	9.5
145.10094	38.8
147.08014	3.8
147.11668	38.3
149.09593	5.2
149.13243	9.0
151.11183	4.6
153.05432	3.5
155.10643	10.7
156.23607	2.4
157.10109	18.0
159.08023	3.7
159.11641	26.6
161.09555	3.7
161.13271	5.2
163.11157	9.4
165.12683	3.0
171.11682	9.7
173.13261	24.6
175.11154	2.9
185.13289	4.9
187.14819	9.5
191.14273	5.3
197.38310	2.1
201.16380	12.9
213.16368	2.6
215.14256	3.8
233.15369	4.2
251.16322	2.5
255.21074	4.9
273.22256	3.8
283.20380	8.9
293.31415	2.3
295.15799	5.1
301.21582	79.2
319.22656	11.4
335.61069	2.8
337.16946	3.2
401.35455	2.4
419.31317	11.2
457.20364	2.8
517.30206	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	516.28
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56740	2.8
55.05493	6.9
55.36536	2.8
57.03421	4.2
63.13438	3.2
63.16139	3.0
67.05471	7.0
69.03406	24.1
76.03958	3.3
79.05475	7.6
81.07035	6.6
82.78755	3.3
83.08625	4.7
85.02883	22.9
86.09697	5.5
87.04443	6.0
91.05444	16.6
93.07024	15.2
95.04975	6.1
95.08594	15.1
97.02895	25.4
105.06999	23.8
107.08578	18.6
109.06490	5.4
109.10103	5.1
111.60334	3.4
117.63956	2.8
119.08567	45.4
120.78931	3.5
121.06446	3.5
121.10139	7.0
123.04425	3.8
127.03926	3.7
129.06985	7.2
131.08536	18.6
133.10104	100.0
134.10905	7.5
135.11795	3.4
137.05959	5.1
142.07788	5.3
143.08543	20.5
144.09190	3.3
145.10109	41.4
146.10890	7.1
147.08002	13.4
147.11664	6.9
149.09653	3.8
153.60423	3.7
155.08545	6.3
156.09341	4.1
157.10081	34.7
159.08022	3.4
159.11615	15.8
161.13202	7.1
163.11171	25.1
169.10051	6.5
170.10855	16.1
170.56860	4.1
171.08043	5.4
171.11650	26.3
173.13260	4.5
175.11298	3.7
175.14827	6.5
185.09506	4.8
185.13210	37.9
187.11189	4.8
195.11670	22.8
203.14290	22.8
205.80191	3.5
213.12715	56.5
225.12741	5.7
231.13765	59.2
243.13731	25.3
280.82004	4.6
283.16821	5.5
301.17950	37.4
319.18796	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	516.3166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00297	0.9
53.48105	0.9
55.05505	7.9
57.03420	1.0
57.07061	1.7
59.04985	1.9
67.05489	16.4
69.03405	5.5
69.07040	5.6
71.04982	23.2
71.49857	0.8
73.06533	1.6
75.85921	0.9
79.05462	5.7
81.03388	1.8
81.07039	19.4
83.04973	5.1
83.08590	6.1
85.02879	5.1
85.06527	8.1
91.05450	6.7
93.07018	21.5
95.04932	5.0
95.08589	14.5
97.02868	2.3
97.06493	2.1
97.10140	6.3
102.21012	1.0
105.07014	19.8
107.08577	33.1
109.06505	1.2
109.09388	1.9
109.10142	57.3
117.06989	1.8
119.08566	14.2
121.06492	8.0
121.10106	11.8
123.08026	1.7
125.09610	35.2
129.07002	1.3
131.08563	7.0
133.06453	1.2
133.10100	15.8
135.08023	4.8
135.11678	5.4
137.09581	7.6
142.07787	1.5
143.08673	3.6
143.10654	100.0
145.10104	9.5
147.08028	1.9
147.11671	19.1
149.09554	1.8
149.13194	1.8
151.11192	1.0
157.10083	5.1
159.11674	6.5
161.09602	4.5
161.13193	2.2
163.11143	1.7
169.10078	1.9
171.11668	3.9
173.09605	3.8
173.13251	4.3
184.07300	1.0
185.13251	1.9
187.14801	5.8
193.12244	1.1
197.13229	4.9
201.16383	3.9
205.12181	1.9
213.16319	3.9
215.14299	9.0
229.15848	4.3
247.16907	1.2
283.20483	4.4
301.21561	22.2
319.22519	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	517.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.44065	0.2
55.61085	0.2
56.96541	0.2
57.03425	0.2
59.34341	0.2
64.88641	0.2
69.03411	0.3
73.06534	0.3
74.02392	0.3
81.03413	0.2
81.07025	0.4
85.02891	1.9
91.52657	0.2
92.63243	0.2
97.02847	0.3
98.97547	0.4
99.08075	0.8
103.05419	0.2
105.06986	0.3
106.06527	1.1
107.04951	0.3
115.05434	1.6
117.05754	0.8
117.09079	0.4
120.08108	0.3
121.72311	0.2
130.06506	3.0
131.04916	0.8
132.04453	1.5
132.08069	2.5
133.05235	0.2
133.06459	0.9
134.05989	22.6
135.06361	0.3
135.10106	0.4
142.06534	0.3
145.04967	0.5
146.06000	1.7
147.06789	0.4
148.07533	3.9
149.36684	0.2
157.07616	2.1
158.05988	8.5
159.06744	3.0
160.03871	1.0
160.07544	17.7
162.05467	74.5
163.05815	1.4
171.05440	0.3
175.08627	7.4
176.07034	0.4
186.05452	7.4
203.08125	2.1
204.06522	100.0
205.06848	1.5
206.07016	0.3
221.09172	27.7
325.03714	0.2
376.10657	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02384	1.5
53.03940	2.8
55.05505	21.1
56.67791	1.7
57.03437	13.9
57.07069	2.3
61.02907	2.3
65.03899	1.5
67.05138	3.6
67.05489	80.2
67.05849	2.6
69.03413	2.1
69.07062	19.0
71.04974	2.9
79.05119	1.4
79.05473	52.4
81.03386	14.0
81.07038	100.0
82.03722	1.6
82.07346	2.7
83.04958	8.0
83.08603	15.6
85.02897	8.2
85.06548	2.1
86.43423	1.7
91.05459	34.6
91.19728	1.6
92.05795	2.1
93.07020	68.4
95.04948	14.2
95.08588	61.5
97.06516	6.9
97.10149	3.0
105.07012	28.6
107.04945	3.4
107.08570	41.6
109.06511	3.8
109.10139	28.2
111.08047	2.5
116.00747	1.4
117.07004	7.8
119.08566	19.9
121.10120	27.3
122.10483	1.6
122.42496	1.5
123.08067	1.7
123.11689	7.2
125.09604	1.8
129.06938	3.1
131.08546	22.1
133.10109	17.6
135.08070	1.7
135.11667	21.4
137.13225	2.9
145.10101	15.6
147.11658	11.3
149.09622	2.9
149.13258	16.1
156.08948	1.7
157.10065	2.9
159.11688	8.3
161.13239	7.4
163.14777	7.2
173.13246	9.8
175.11116	1.7
175.14734	1.8
181.73297	1.9
184.07262	2.9
187.14761	7.7
193.12222	7.0
211.13278	4.1
243.21078	12.5
261.22058	32.1
269.17416	10.2
270.17792	3.4
279.23026	1.9
285.17007	7.1
286.17285	2.3
299.25864	1.8
335.25742	12.9
353.26801	6.7
389.02756	1.5
479.29767	8.3
480.30301	10.9
497.31015	8.3
515.26202	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	515.334
Annotation	Gln Val Leu Arg
Peak:m/z	Relative Intensity
54.81204	1.0
55.05497	0.9
57.15685	0.9
70.30112	0.9
76.35790	1.0
81.07028	1.6
85.93334	0.9
92.08576	3.0
107.08500	0.9
136.63521	1.0
313.19302	1.2
321.27548	1.3
435.89865	1.2
471.34387	4.9
483.08563	1.3
515.27820	4.6
515.33392	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3724
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22879	4.0
53.60324	3.8
55.05509	35.7
57.03430	5.2
57.07043	4.4
59.74314	5.8
62.76863	3.9
67.05489	71.1
69.07038	22.2
79.05476	68.4
81.07033	63.3
81.12424	5.3
83.04968	10.6
83.05531	4.7
90.17340	4.5
91.05463	42.8
93.07018	80.3
95.04958	12.5
95.08576	31.1
97.06491	5.3
105.07024	36.9
107.08571	34.5
109.10172	10.5
115.61726	4.7
119.08549	23.8
121.10143	18.9
131.08525	8.3
133.10104	8.1
135.11671	26.2
143.08540	6.0
145.10078	9.9
147.11636	6.2
284.26816	5.6
304.15259	5.2
309.77789	5.8
484.52078	5.7
515.37646	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3373
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	5.7
55.05499	34.1
57.03430	30.5
67.05489	62.1
69.07059	25.9
71.04955	5.5
79.05475	57.4
79.96588	3.3
81.03391	60.8
81.06595	5.5
81.07038	100.0
83.04964	20.0
83.08590	28.1
85.02889	26.6
85.69191	3.1
88.07728	3.0
91.05452	67.1
93.07016	56.0
95.04948	32.0
95.08569	30.5
97.06522	14.8
97.10162	4.3
105.06995	41.8
105.89975	3.0
106.58085	3.3
107.04951	6.6
107.08591	25.2
109.06473	5.0
109.10081	3.5
111.08070	6.3
117.06978	7.1
119.08537	33.1
121.06512	4.7
121.10102	14.9
123.08023	4.2
129.06966	15.0
131.08540	25.8
133.10109	27.5
135.11661	8.1
147.11655	17.4
148.32420	3.7
149.09561	4.0
149.13272	5.9
157.10098	5.4
159.11655	6.3
175.11121	6.7
179.33527	3.4
193.12279	27.4
195.13780	5.2
211.13266	42.3
211.72910	3.2
219.56508	3.3
225.97466	3.5
234.34776	3.7
267.15878	6.2
269.17422	48.6
285.16931	51.5
461.28839	21.4
479.30081	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	514.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03907	2.9
55.01861	3.5
55.05504	29.9
55.48322	2.2
57.03429	26.5
57.07061	4.5
58.28734	2.6
67.05145	3.5
67.05489	64.5
69.03390	2.8
69.07047	32.0
70.06558	3.0
71.04967	4.7
79.05472	52.2
81.03397	61.3
81.06602	5.1
81.07038	100.0
81.18369	2.6
83.04964	23.3
83.08603	27.3
85.02417	2.7
85.02874	21.3
85.06526	3.0
91.05453	48.7
93.07011	70.6
95.04950	35.5
95.08593	32.9
97.06531	13.6
105.03394	2.8
105.07000	31.0
107.04927	5.1
107.08572	37.0
109.06502	13.2
109.10163	6.1
111.08065	12.8
117.06938	10.5
119.08576	25.5
121.06535	3.3
121.10117	16.6
123.08002	3.4
129.06935	5.2
131.08545	17.4
133.06494	3.5
133.10109	15.3
135.11630	6.1
145.10132	6.7
147.11658	15.6
149.05899	5.1
149.09529	3.2
149.13214	29.3
157.10152	11.0
159.11620	6.8
175.11172	11.0
193.12195	27.4
195.13768	5.7
200.20059	6.1
211.13222	32.9
267.15814	10.5
269.17435	69.4
277.69269	3.0
285.16910	33.9
333.35233	3.1
341.10193	11.7
461.28857	23.9
479.29944	69.4
493.05774	3.3
514.28076	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3188
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81368	1.1
55.05505	1.6
61.47552	1.0
64.33030	0.9
66.50329	0.8
66.62841	0.9
67.05485	1.9
69.07047	2.1
79.05457	2.0
81.07034	8.2
91.05470	2.1
93.07014	4.8
95.08581	5.9
105.07014	5.3
107.08587	5.2
109.10169	1.3
119.08551	3.7
121.10133	2.3
124.97845	1.2
131.08559	1.9
133.10129	1.5
145.10109	3.4
147.11676	2.0
157.10069	1.6
197.13208	1.4
515.31805	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	515.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96777	1.6
55.05501	18.4
57.03427	4.7
57.07067	4.7
59.61699	1.7
61.02889	2.8
63.13155	1.6
67.05148	4.0
67.05489	87.8
67.53929	1.6
69.07051	20.3
71.04977	2.3
79.05472	66.0
81.03391	2.3
81.07034	100.0
83.04936	2.3
83.08591	9.6
85.02908	3.0
90.13142	1.7
90.74692	1.6
91.05451	35.2
93.07024	80.0
95.04926	8.9
95.08010	3.0
95.08585	69.3
105.07001	34.5
107.08567	52.4
109.06479	3.5
109.10133	29.3
117.06992	12.5
119.08554	25.5
121.10116	32.7
123.08040	3.5
123.11671	10.7
129.07031	2.3
131.08533	22.3
133.10136	18.8
133.38316	1.8
135.11652	30.5
142.80162	2.3
143.08536	2.7
145.10089	17.4
147.11650	12.7
149.13239	15.8
157.10091	2.3
159.11574	14.9
161.13214	10.4
163.14784	8.4
165.12709	2.3
173.13235	15.5
175.14905	2.4
177.16441	2.1
187.14796	4.5
233.22600	2.1
243.20935	17.4
261.22076	62.4
284.34396	2.1
325.70453	2.0
335.25623	4.0
353.26788	12.9
461.15930	2.2
515.33368	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	514.2857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.4
55.01880	1.1
55.05496	6.2
57.03426	4.1
61.02900	1.5
67.05494	8.4
69.03407	4.2
69.07039	3.5
70.06586	1.3
71.04973	1.7
79.05468	10.2
81.03397	100.0
81.07036	11.9
83.04939	2.3
83.08614	24.2
85.02903	5.5
85.06574	1.4
86.09689	2.4
89.65390	1.0
91.05462	11.5
93.06989	7.7
95.04947	29.3
95.08580	4.5
97.02859	6.2
97.03425	0.9
97.06507	1.7
105.07011	11.5
107.04961	8.6
107.08596	5.1
109.06462	2.0
109.10155	2.2
111.04436	1.8
111.08038	11.2
119.08561	11.3
121.06522	2.0
121.10117	5.0
123.04382	4.9
123.07950	1.1
124.07594	1.0
125.09602	1.3
125.47923	1.0
129.06990	8.9
131.08577	9.8
133.06473	5.7
133.10106	6.3
140.07092	2.0
142.07748	1.0
145.10136	4.1
147.08035	4.6
147.11635	10.3
149.09578	5.7
151.03879	1.4
153.01834	1.2
157.10095	13.2
165.12738	1.1
175.11163	14.6
193.12201	59.4
207.85129	1.2
211.08707	1.5
211.13271	6.7
213.22008	1.0
235.13358	1.1
239.11751	2.1
239.64095	1.1
267.11252	2.3
267.15842	27.4
285.16907	62.9
309.16928	5.5
313.11850	11.3
373.13852	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	514.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01865	2.5
55.03176	0.5
55.05496	5.7
57.03419	6.5
61.02907	1.5
67.05486	9.3
69.03410	3.7
69.07046	2.8
71.04955	1.4
79.05469	9.0
81.03396	100.0
81.07031	9.9
83.04958	5.7
83.08114	1.0
83.08598	23.9
85.02882	4.8
86.09698	0.9
90.39882	0.6
91.03918	1.0
91.05457	14.7
93.07018	5.9
95.04942	32.6
95.08583	4.8
97.02886	3.4
97.06503	0.7
97.10125	2.6
105.07011	9.8
107.04936	9.0
107.08578	4.2
109.02869	0.9
109.06491	1.3
109.10139	2.5
111.04422	2.8
111.08058	13.2
115.05427	0.8
119.04929	0.8
119.08556	12.0
121.06454	1.0
121.10111	6.7
123.04427	1.3
123.08058	0.7
125.09588	0.9
129.06953	9.5
131.08549	8.0
133.06471	4.0
133.10086	5.1
137.09531	1.1
138.07962	0.6
142.07712	2.4
145.10106	0.8
147.08018	3.2
147.11639	9.4
149.09612	5.6
157.10095	12.8
159.08005	0.7
159.11656	0.7
161.57547	0.6
162.30464	0.7
163.11176	0.9
165.12721	1.5
169.72441	0.6
170.10478	0.6
175.11125	13.9
179.06883	0.8
192.10217	0.9
193.12202	58.1
203.10777	0.8
211.13242	6.2
235.13243	2.8
267.15836	32.7
276.18784	0.7
285.16895	60.8
309.16821	7.9
313.11786	1.4
323.12485	1.3
343.23840	0.8
363.17926	1.3
373.13846	2.8
393.18997	0.8
411.19916	1.3
429.21356	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	514.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57826	1.7
53.03938	2.4
54.81618	1.8
55.05502	3.1
57.03418	1.9
60.04515	2.1
61.02903	2.2
61.91120	1.7
67.05486	9.6
69.03427	18.2
69.07049	4.8
71.04978	4.3
79.05473	8.0
81.03420	2.7
81.07033	13.6
83.04951	2.8
83.08639	2.8
85.02896	28.1
86.09689	3.1
91.05457	13.3
93.07029	12.2
95.04958	3.6
95.08582	7.6
97.02864	16.9
97.06538	3.7
98.97548	3.1
99.04437	3.4
103.71194	1.9
105.06973	16.2
107.08566	18.7
109.06532	3.3
109.10155	3.9
111.04428	3.1
117.07047	3.2
119.08563	28.2
121.06514	4.2
121.10121	17.9
121.76213	2.0
123.04409	11.1
123.08054	3.5
127.03892	4.4
129.06999	2.2
131.08553	35.8
133.06519	3.6
133.10100	22.3
135.08052	8.7
135.11676	3.3
136.42732	2.2
137.05995	2.6
143.08507	8.6
144.09375	2.8
145.06494	9.2
145.10100	24.6
146.07227	3.9
146.10785	2.1
147.07996	3.6
147.11720	3.1
149.09608	2.8
155.08548	9.2
156.09334	3.6
157.10141	14.9
158.10887	12.7
159.08020	32.5
159.11668	32.1
160.08821	27.0
160.12328	2.4
161.05972	4.6
161.09573	9.5
163.11179	4.8
165.09148	2.1
167.08441	2.3
169.10121	4.5
171.11655	14.3
172.08812	9.0
172.12445	3.9
173.09641	15.1
173.13219	84.5
174.10205	2.2
174.14059	4.2
175.11093	3.1
175.14803	3.8
177.05447	4.8
177.08961	3.6
178.07874	2.6
183.08064	2.6
183.11653	13.4
185.09579	8.3
185.13174	2.7
186.10315	14.8
187.11153	60.6
189.12714	4.6
191.03395	15.6
191.14388	2.4
193.10056	7.6
195.11649	7.4
196.08788	9.1
197.09598	3.3
197.13287	3.7
199.11160	3.5
200.11868	3.0
201.12709	62.4
202.13480	26.0
203.14288	13.2
207.11656	3.9
209.13327	2.4
211.07256	2.2
211.11128	24.1
213.12747	9.4
219.13780	61.8
223.11252	3.0
225.12656	4.4
225.16354	8.2
229.12326	3.9
235.14696	3.0
238.13499	3.8
239.10568	20.4
243.13780	3.1
249.44229	2.1
253.15756	20.8
255.17407	8.0
257.11658	8.4
271.16833	22.3
281.15311	12.2
299.16360	50.8
317.13974	4.1
317.17404	100.0
317.21042	4.5
335.11237	2.6
352.21088	3.5
495.94656	2.1
502.14978	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	513.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	2.1
55.05506	25.0
57.03423	6.7
57.07066	2.2
61.02929	2.2
66.86388	1.3
67.05497	31.3
69.03417	8.7
69.07049	23.5
71.04973	15.8
79.05470	20.7
81.03400	1.6
81.07034	100.0
81.12666	1.3
82.41786	1.2
83.04974	2.3
83.08601	11.1
85.02892	19.4
85.06538	9.4
86.55527	1.3
90.92597	1.3
91.05462	17.6
93.07014	59.6
93.07566	2.7
95.04942	2.2
95.08582	87.0
96.13578	1.3
97.02886	2.2
97.06509	5.3
97.10150	18.4
98.59630	1.7
99.38181	1.5
101.06015	3.1
103.90372	1.3
105.06992	25.8
105.07556	1.7
107.08567	58.3
108.08918	5.3
109.02892	2.3
109.10139	45.8
111.08070	9.0
111.11691	5.8
113.09579	1.9
119.08561	25.9
121.10114	60.8
123.11639	11.7
125.09634	7.6
127.07516	1.7
129.09081	9.8
131.08524	7.0
133.10109	18.4
135.11655	43.0
137.05898	5.5
137.09613	2.4
137.13251	2.6
139.11195	1.7
145.10132	8.6
147.11649	22.6
149.13217	20.2
151.07497	3.3
151.11215	2.9
153.12679	2.0
159.11682	8.8
161.13213	12.9
163.14752	11.3
165.12784	3.6
173.13202	10.9
175.14861	5.6
177.16443	2.6
179.14282	2.9
187.14772	8.9
188.43410	1.5
189.16327	2.2
192.07356	1.5
203.17879	2.7
209.10062	1.5
217.19603	1.8
243.21016	25.9
261.22110	19.8
277.26535	1.7
279.23126	49.3
295.96713	1.5
297.24127	27.8
315.25266	9.1
333.26266	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	514.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.2
53.59386	0.2
55.01862	0.2
57.03416	0.4
61.02890	0.8
68.57072	0.2
69.03406	1.3
70.06552	0.4
72.08130	0.2
81.03406	0.7
83.01323	0.4
84.71040	0.2
85.02406	0.3
85.02892	4.8
90.97945	0.2
91.05446	0.3
95.04958	1.4
97.02866	1.6
109.02854	0.9
113.05964	0.4
119.04903	0.9
122.03625	0.8
123.04383	1.8
126.03100	0.9
127.03869	0.4
137.02333	0.3
137.05959	22.9
141.05453	1.6
145.04955	0.3
147.04390	10.2
151.03877	3.9
153.05446	0.4
154.02597	4.4
155.55267	0.2
169.04933	100.0
177.05499	0.3
179.07045	2.3
193.05124	0.2
280.12701	0.2
286.26501	0.2
317.10223	1.3
331.10138	1.2
335.11234	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	513.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00320	1.2
53.03928	1.7
55.01859	4.7
55.05502	21.9
57.03429	10.7
57.07054	5.5
61.02906	17.7
65.03912	1.6
67.05147	1.5
67.05492	44.1
69.03394	5.9
69.07049	19.6
71.04973	5.0
73.02890	7.6
79.05466	69.9
81.03369	5.4
81.07031	56.5
83.04952	1.4
83.08604	8.9
85.02885	15.6
85.06509	4.6
91.03934	3.7
91.05457	65.8
93.07018	100.0
95.04929	10.0
95.07999	1.9
95.08578	35.2
97.02864	9.6
97.06482	2.0
97.10146	2.0
99.04434	1.7
99.08058	2.3
101.02340	1.4
105.07007	69.3
107.04928	25.9
107.08569	52.1
109.06494	2.2
109.10141	13.1
111.08082	5.1
111.64383	1.3
115.05456	1.2
117.07007	16.0
119.08557	63.8
121.06399	2.0
121.10111	41.5
123.08038	6.1
123.11642	2.6
125.09650	1.3
128.06236	1.4
129.06979	13.0
131.08546	23.1
133.06448	2.0
133.10095	45.4
135.08018	2.1
135.11647	27.5
137.05931	4.6
137.09538	1.7
137.13235	2.3
143.08507	12.4
145.06526	1.7
145.10083	21.3
145.67377	1.3
147.08012	2.2
147.11661	36.6
149.09590	4.4
149.13261	16.3
151.07396	1.3
153.06969	1.2
155.08536	2.2
157.10078	11.2
159.11658	16.3
161.09488	2.2
161.13208	26.8
163.11182	1.6
163.14767	7.7
165.06969	5.6
167.08492	1.5
169.10089	1.6
171.04370	1.8
171.11658	19.0
173.13220	11.9
175.11134	1.7
175.14764	11.3
183.08067	1.8
183.11694	1.4
185.13206	12.0
187.14713	2.1
189.12775	1.5
195.11769	1.5
199.14798	5.6
203.14333	1.7
211.07462	5.5
213.16399	2.4
217.19493	1.9
229.08466	2.2
231.17393	2.1
231.21001	6.9
239.07144	1.7
241.19458	23.4
259.20496	56.2
277.21509	7.7
290.82898	1.3
299.09164	1.6
333.24100	9.0
351.25204	80.5
375.25174	2.6
385.23917	1.5
441.26163	5.0
459.27170	4.8
495.29251	2.5
513.31140	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.5
53.41639	1.6
54.55551	1.6
55.01873	2.4
55.05500	25.5
57.03421	3.3
59.77099	1.4
61.02921	1.9
67.05482	37.6
69.03411	15.1
69.07047	23.8
70.06573	2.3
71.04974	11.7
71.60767	1.7
79.05477	28.9
81.03403	4.7
81.07034	100.0
83.04953	3.2
83.08606	3.8
84.08099	1.6
85.02885	24.1
85.06524	17.8
91.05481	16.2
93.07015	72.2
95.04948	8.0
95.08580	78.0
97.02875	10.6
97.06515	10.0
97.10138	16.2
99.04432	7.2
99.08063	7.5
103.05476	2.1
105.07008	38.9
107.08572	57.7
109.02845	2.2
109.06486	3.9
109.10130	44.6
109.10845	2.2
111.08092	4.0
112.93093	1.6
113.09652	4.6
115.07529	2.5
115.36809	1.8
119.08550	23.8
119.69454	2.0
121.10114	71.0
123.08060	4.4
123.11669	28.8
125.09600	22.8
127.03905	4.1
131.04936	4.7
131.08549	10.6
133.10095	20.5
135.11661	22.9
137.13251	7.4
139.11156	11.4
143.10609	2.2
145.04947	2.0
145.10120	10.5
147.11682	19.6
149.13229	32.9
151.11151	7.1
155.10649	3.1
159.11690	10.1
161.13235	18.4
163.14786	14.0
169.02655	2.1
173.00661	2.1
173.13252	8.0
175.14798	9.6
177.16362	3.2
179.14304	4.5
187.14821	8.5
197.15367	14.0
201.16350	2.0
203.17984	3.9
215.16422	8.9
231.21028	2.0
243.21048	15.4
261.22110	21.6
279.23074	44.1
280.88687	2.3
297.24203	56.1
315.25284	14.2
333.26395	11.7
351.12463	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	513.3059
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02399	2.0
53.03923	3.8
55.01855	4.3
55.05508	34.6
56.23862	1.9
56.87172	2.2
57.03415	11.3
57.07045	8.8
61.02920	26.4
65.03924	2.7
67.05149	2.5
67.05493	57.7
69.03408	14.3
69.07060	23.9
71.04961	9.4
71.08628	2.7
73.02887	10.1
79.05474	90.5
81.03423	18.7
81.06596	4.2
81.07037	86.2
83.04931	8.8
83.08602	12.4
85.02894	30.0
85.06538	4.1
86.09694	3.6
91.03935	4.3
91.05463	83.4
93.07024	100.0
94.07394	2.4
95.04944	24.8
95.08585	58.4
97.02852	14.5
97.06501	5.4
97.10125	4.1
99.04446	2.4
99.08062	2.7
104.10724	12.4
105.07011	99.6
107.04928	10.8
107.08577	67.6
109.06455	8.4
109.10137	21.4
111.08065	3.6
114.37912	2.7
115.05428	4.4
117.07002	26.5
119.08557	80.6
121.06499	2.8
121.10120	43.4
123.08052	12.7
123.11703	4.1
124.99959	2.6
127.07481	3.7
128.06184	3.2
129.06946	20.4
131.08557	37.7
133.10098	56.1
134.10431	2.5
135.08049	5.0
135.11685	28.7
137.09578	5.2
141.06955	2.3
142.07797	2.5
143.08553	22.4
145.10118	35.1
147.07979	2.7
147.11664	51.3
149.09566	13.5
149.13246	12.0
151.07501	3.5
151.11145	3.0
155.08479	5.5
157.06708	2.3
157.10046	21.7
159.07921	2.9
159.11618	23.2
161.09598	3.6
161.13231	34.0
163.11192	3.2
163.14822	3.8
171.07907	2.2
171.11678	19.7
173.13264	14.9
175.11160	4.7
175.14755	14.1
177.09050	3.7
181.10069	2.9
184.07283	3.7
185.13199	19.5
187.14751	5.7
193.12277	9.3
199.14774	5.1
203.14285	2.6
211.13167	3.2
211.14986	2.9
213.16292	4.2
231.17365	2.9
231.21065	5.5
241.19521	26.9
259.20505	71.7
333.24280	3.2
351.25183	75.5
361.69180	2.7
375.24911	3.0
407.07245	3.0
413.33621	2.6
417.26007	3.7
441.26178	3.3
441.33218	3.8
459.34433	5.4
495.28998	5.3
504.63553	2.5
513.31824	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	512.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84821	0.4
53.03933	0.4
55.05500	2.1
57.07066	8.8
58.06572	0.5
67.05484	1.1
67.67567	0.4
69.07045	2.8
70.06580	6.4
70.17445	0.4
71.08622	4.2
73.02903	0.4
76.47292	0.4
76.56257	0.4
79.05480	3.8
79.44580	0.4
81.07040	2.6
83.08586	0.8
85.10153	1.7
88.07619	8.6
89.06010	6.2
91.05444	0.6
92.09273	0.6
93.07027	1.9
95.04956	2.0
95.08585	2.8
97.10162	0.5
102.09151	6.0
103.05449	3.1
105.07014	100.0
106.07382	0.5
107.08627	0.6
109.10194	1.3
119.08586	0.6
121.06499	3.1
131.08586	0.5
133.08588	2.0
135.11627	0.6
165.09061	0.7
183.10139	10.8
191.10739	0.5
209.11504	0.5
209.13287	3.0
228.23233	2.0
256.26276	19.3
274.27405	2.1
283.26251	20.8
283.29190	0.7
287.16309	4.6
311.29462	2.4
327.20297	0.8
512.50287	37.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3952
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.3
55.05502	33.1
56.05841	2.5
56.96561	1.8
57.03422	7.8
57.07064	41.2
61.23427	1.9
62.80545	1.7
67.05489	35.5
69.06717	2.7
69.07058	46.0
70.06574	9.0
71.05001	2.9
71.08604	22.7
71.84615	1.8
73.02900	15.4
73.20860	1.6
79.05472	13.7
79.62881	1.6
81.07037	100.0
83.04955	2.9
83.08600	19.2
84.08917	1.8
85.02869	3.3
85.06512	2.7
85.10165	7.8
87.04472	2.1
88.07602	14.9
89.06013	18.5
91.05476	11.1
92.09318	5.7
93.07028	25.7
94.07355	2.2
95.04939	4.4
95.08584	70.3
96.08884	2.3
96.12072	1.8
97.06508	3.4
97.10146	11.4
98.98447	21.9
100.94316	1.8
102.09170	11.3
105.07002	15.8
107.08569	21.1
109.06485	11.1
109.10144	45.0
111.08051	1.8
111.11722	4.1
119.08582	8.7
119.92699	1.9
121.10142	18.5
122.10387	2.7
123.08083	4.7
123.11671	14.7
125.05981	7.8
125.09613	2.3
131.08568	9.2
133.08614	4.7
133.10106	4.7
135.08023	4.9
135.11685	10.3
137.05948	34.6
137.13237	8.0
139.07507	37.1
145.10106	2.4
147.08046	2.2
147.11656	3.4
149.05884	3.0
149.09641	8.3
149.13243	4.4
151.07536	18.4
155.01044	3.6
157.10117	2.5
161.09598	4.3
161.13228	3.4
165.05470	12.0
165.09067	3.5
167.07007	3.4
171.11589	3.0
175.07550	2.4
175.11166	7.7
177.09070	51.6
179.07007	10.7
181.08630	2.7
185.13170	2.2
189.12787	2.6
191.10722	3.0
193.08607	10.6
203.10678	2.2
205.12144	3.3
228.23332	2.8
235.94502	1.9
237.11028	2.9
243.81494	2.0
256.26282	34.1
267.72684	2.3
269.16537	2.5
275.20065	2.1
277.21393	2.4
283.26230	39.2
327.16953	2.2
339.28937	10.9
340.29279	28.2
381.31076	2.4
399.32385	18.3
405.21997	9.5
413.34033	9.3
417.33719	7.6
419.70309	2.5
431.35071	10.1
441.33481	21.0
459.34604	71.9
477.35947	20.1
495.39172	2.4
512.38971	2.4
512.50299	59.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	512.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76321	0.3
53.03946	0.4
55.05502	0.4
57.07067	7.2
59.10207	0.4
59.69266	0.3
64.33994	0.4
67.05495	1.4
69.07056	1.5
70.06578	5.1
71.08617	3.2
73.02869	0.4
76.57003	0.4
76.63116	0.4
79.05466	3.6
81.07039	1.6
83.08591	0.6
85.10157	1.7
88.07605	5.4
89.06004	5.3
91.05491	0.4
92.09316	1.4
93.07037	0.6
95.04922	1.7
95.08599	2.7
97.10160	0.4
102.09155	4.9
103.05434	2.7
105.07011	100.0
109.10121	0.4
115.81725	0.4
121.06522	2.9
128.02228	0.4
129.29160	0.4
133.08601	0.8
147.07918	0.4
177.11130	0.5
183.10124	10.2
183.11710	0.4
209.13173	1.4
228.23209	1.8
230.22903	0.5
235.88322	0.4
251.14238	0.5
256.26297	15.0
256.28979	0.7
274.27353	2.0
283.26245	16.6
287.16299	4.1
311.29282	0.7
327.20087	1.6
358.87399	0.4
381.75977	0.4
512.50275	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	512.2126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60528	1.4
53.08886	1.6
53.43686	1.5
55.01874	2.2
55.05502	24.7
55.47861	1.8
57.03428	38.0
57.07067	4.7
58.31079	1.6
59.04988	5.1
60.04512	3.8
61.02914	2.7
65.25130	1.8
67.05493	36.7
69.03418	97.0
69.07056	40.7
71.04967	10.0
71.08593	2.6
73.02891	2.3
75.04456	4.2
79.05478	19.0
81.03410	8.3
81.07042	100.0
83.04969	3.3
83.08600	16.8
85.02895	74.3
85.06528	4.8
87.04454	53.3
91.05472	11.0
93.07030	28.8
95.04945	4.3
95.08586	92.5
97.02875	69.0
97.06483	3.5
97.10171	16.0
99.04440	4.3
99.08093	2.6
100.16934	1.7
100.71823	2.1
105.07015	12.2
107.04943	3.3
107.08578	33.7
109.06501	3.3
109.10140	51.3
111.04433	4.6
111.08071	9.2
111.11677	4.2
111.25386	2.2
115.03917	57.4
115.05394	1.8
119.08571	12.0
121.06531	2.4
121.10117	25.1
123.04430	2.2
123.08048	24.4
123.11697	23.4
125.09632	5.0
127.03900	8.2
128.06160	3.4
130.07799	2.3
131.08524	4.8
132.05705	3.6
133.04944	46.0
133.10097	11.0
135.11678	25.0
137.05936	3.0
137.09612	3.0
137.13260	3.6
145.04901	3.1
145.10077	8.9
147.04329	2.1
147.11681	7.8
149.09628	3.3
149.13261	13.9
150.07603	11.0
151.11070	2.7
153.01729	4.2
153.07037	4.2
155.08554	11.7
157.10147	2.5
159.11673	2.7
161.13284	4.6
163.11171	2.1
165.06956	8.5
165.09076	3.6
165.12750	2.2
168.05670	8.4
169.10153	7.6
169.12029	1.9
171.07996	3.9
179.14246	3.1
181.06612	2.3
182.07184	2.2
183.08029	93.6
183.09650	3.7
185.09586	2.9
187.14832	4.2
197.09583	30.6
201.09132	4.5
209.09662	2.3
221.09706	3.0
225.09132	15.8
233.22701	2.5
243.21043	10.0
249.08862	2.3
251.10680	2.6
261.22095	14.0
267.10068	3.2
279.23138	58.0
297.11023	2.7
297.24200	70.6
315.25180	18.9
327.12250	2.6
333.26135	3.2
408.85651	2.6
421.69495	2.2
513.11627	3.0
518.40173	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	511.3108
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	15.5
57.03436	4.4
57.07057	2.5
60.04504	2.4
67.05490	31.3
69.03403	6.4
69.07053	67.8
70.06586	2.5
71.04984	2.7
79.05481	14.9
81.07034	95.0
83.08609	5.7
85.02887	15.9
85.06512	6.3
91.05478	13.6
92.08619	5.1
93.07012	44.6
95.04960	3.3
95.08585	89.2
95.09196	3.5
97.02853	2.9
97.06513	17.0
99.04400	2.8
99.08053	3.3
101.18538	2.6
104.86730	2.9
105.06994	24.6
107.08577	49.0
109.06498	6.0
109.10135	44.9
111.08070	10.7
119.08558	18.3
121.10104	35.5
123.08053	13.1
123.11657	21.7
125.09622	11.3
131.08557	3.1
131.34442	2.5
133.10094	25.6
135.11658	18.7
137.09621	3.4
139.11157	17.7
147.11647	21.0
149.13226	33.4
151.03912	5.0
151.11172	15.0
151.14799	6.3
153.12697	4.1
154.73788	2.7
159.11674	3.3
161.13264	22.9
163.14796	5.9
166.81871	2.4
171.11798	2.8
173.13271	2.7
175.14777	18.2
179.14259	22.9
181.15756	4.0
197.15373	5.9
197.49344	2.8
200.54991	3.2
203.14287	13.2
209.15375	2.9
223.25504	2.7
231.21053	12.8
241.19571	4.3
249.22037	12.4
259.20602	18.6
269.06970	4.0
270.84860	2.3
277.21603	52.4
295.22632	100.0
307.08597	4.3
313.23648	96.0
325.09430	3.5
349.09265	2.8
451.12756	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	511.3031
Annotation	CHEBI:68981
Peak:m/z	Relative Intensity
53.00301	1.4
54.58383	1.2
55.05264	1.8
55.05507	30.6
55.63089	1.1
57.03431	11.6
57.07072	24.7
59.07373	1.1
60.08155	15.8
65.30648	1.3
67.05488	29.2
67.48020	1.4
67.64054	1.3
69.06717	2.1
69.07056	41.8
69.54040	1.3
71.04984	1.8
71.07343	7.3
71.08611	15.3
79.05482	11.0
81.06593	2.1
81.07039	32.5
83.08609	27.3
84.86923	1.5
85.10150	2.1
86.09693	48.0
87.10014	5.7
91.05453	3.1
93.07025	9.7
95.08585	23.4
97.06489	1.8
97.10169	13.7
97.68726	1.4
98.97791	1.4
98.98445	50.6
104.10731	65.7
105.07021	2.1
105.11066	6.3
107.08582	8.8
109.10130	13.2
110.23937	1.5
111.11685	2.9
119.08561	1.5
121.10115	11.6
123.11707	2.4
123.50105	1.4
124.99989	28.7
133.10039	1.7
135.11674	6.6
155.00995	15.6
171.72797	1.9
173.02101	2.5
184.07314	68.1
185.07649	7.6
187.95729	1.5
193.03044	1.3
199.16754	1.4
215.31125	1.4
239.23695	2.0
265.25232	2.9
313.27197	10.1
314.27570	3.3
339.28897	100.0
475.27936	7.3
493.34973	2.5
510.35358	10.1
511.36169	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	511.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	7.4
55.01863	33.5
55.05505	64.8
57.03429	28.2
57.07062	6.3
58.30409	1.3
59.04983	3.1
65.03927	3.0
67.05492	100.0
67.36018	1.3
69.03413	11.1
69.07060	25.0
71.04980	11.2
73.02901	2.9
79.05476	75.4
81.03399	81.2
81.07037	77.6
81.07529	2.5
82.04200	2.3
83.04964	39.5
83.08610	36.6
85.02886	33.7
85.06520	7.9
91.05463	64.0
93.07023	46.6
93.17743	1.7
95.04947	44.0
95.08581	35.7
97.02873	7.2
97.06487	14.7
97.10152	19.3
98.07275	3.1
99.08052	2.9
102.16029	1.7
103.05445	1.7
105.07018	51.0
107.04922	21.3
107.08569	30.6
109.06500	10.3
109.10130	27.3
111.04425	10.3
111.08051	14.2
113.05983	3.2
115.05441	3.0
117.07020	12.0
118.57082	1.5
119.08556	39.0
121.06484	8.2
121.10108	17.8
123.04401	1.4
123.08050	11.6
123.11683	7.2
125.09605	18.9
129.05458	2.0
129.06975	15.1
131.04912	1.5
131.08533	26.1
133.06459	6.4
133.10106	19.8
135.08041	7.3
135.11659	9.2
137.09570	3.9
139.11133	1.7
142.07750	6.8
143.08528	1.8
145.06430	2.2
145.10120	9.8
147.08049	8.2
147.11673	20.1
149.09618	12.3
149.13269	2.4
151.11116	1.9
153.09161	1.8
153.12679	2.4
157.08897	2.4
157.10054	15.4
158.05717	1.8
161.09595	1.7
163.11165	10.4
165.05553	1.8
165.09140	2.0
165.12747	2.0
167.06975	1.8
171.06529	2.3
171.20033	1.6
175.11142	13.2
177.09050	2.1
181.12352	2.1
189.11189	3.4
193.12209	32.5
199.13290	7.5
209.11682	10.0
211.13243	27.3
227.12738	8.4
249.14818	1.7
267.15884	12.1
283.15381	9.8
285.16855	10.8
409.25870	2.2
439.26965	13.3
457.32944	2.5
475.26895	9.0
493.27676	20.0
511.29095	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3631
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	1.5
53.03932	0.6
55.05507	10.0
56.13323	0.6
57.03431	6.5
57.07068	86.1
61.02913	7.3
62.56076	0.6
67.05493	17.5
69.03405	1.4
69.07054	15.3
71.08613	59.9
73.02883	1.3
75.04452	3.0
77.04802	0.7
79.05455	1.4
81.03361	0.9
81.06594	1.3
81.07037	26.4
83.08609	19.6
85.02887	9.0
85.06523	1.0
85.10165	34.9
89.06018	1.4
91.03925	2.7
91.05458	1.0
92.13261	0.7
93.07002	3.1
95.08585	44.5
97.02865	3.6
97.10159	9.7
99.11684	2.5
103.07529	1.0
105.07021	0.8
107.08583	1.2
109.10138	21.2
111.11704	1.3
121.10117	1.0
123.11685	7.1
125.13214	0.9
127.03912	1.0
133.10106	0.9
137.13234	4.4
145.04930	0.8
149.63150	0.9
151.14835	0.8
165.16426	0.9
171.11534	0.7
221.22549	1.3
239.23657	25.1
257.24792	5.0
313.27319	100.0
328.97980	0.7
331.28369	22.6
383.27554	1.2
401.28867	4.4
457.32986	1.0
462.11728	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3543
Annotation	PC(16:0/O-1:0)
Peak:m/z	Relative Intensity
53.81524	0.4
55.05490	3.3
56.05005	1.0
57.03423	0.8
57.06815	0.8
57.07067	15.7
57.32156	0.4
58.06572	0.7
60.08154	20.9
61.02900	0.8
67.05496	4.7
68.09055	0.5
69.07064	5.0
71.07355	8.2
71.08611	12.0
79.05462	2.5
81.07035	8.5
83.08603	4.4
85.10174	5.8
86.09691	72.2
87.79086	0.5
91.05462	2.5
93.07026	3.6
95.08581	8.0
97.02881	0.5
97.06571	0.6
97.10156	2.5
98.98443	6.9
104.10724	98.7
105.06985	2.1
107.08575	1.7
109.10130	4.3
111.11689	0.6
119.08539	1.1
121.10137	0.8
123.11642	0.8
124.99979	43.1
131.08559	0.8
133.10118	1.0
135.11646	0.7
143.01045	0.6
147.11720	0.6
149.13269	0.6
155.01015	0.8
159.11726	0.6
184.07306	100.0
220.25699	0.6
239.23685	2.3
257.24820	0.7
258.11011	0.5
313.27274	14.3
327.28900	2.2
331.28351	2.5
337.29886	0.6
339.29007	3.2
492.34558	6.3
510.35510	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	510.2543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.2
55.01861	2.3
55.05495	5.3
57.03421	6.5
57.07047	0.9
59.48273	0.8
61.02919	10.7
67.05495	7.7
67.67302	0.9
69.03417	22.8
69.07052	36.6
70.06617	0.9
71.04974	3.9
73.02882	5.0
76.62951	1.1
79.05476	4.4
81.03403	11.0
81.07039	18.4
83.04961	1.9
83.08580	2.3
85.02888	100.0
87.04438	1.7
91.03943	5.2
91.05460	4.6
92.09315	1.1
93.07025	5.0
95.04953	2.1
95.08586	9.1
97.02873	30.7
97.06512	1.0
98.06042	0.9
99.04437	5.1
100.11239	1.2
105.07026	4.4
107.08575	6.3
109.02866	11.6
109.06520	1.5
109.10176	7.6
111.08073	1.1
113.09562	1.3
114.37621	1.3
115.03827	1.0
119.08538	2.4
121.10122	3.7
123.11676	34.7
127.03891	20.8
130.06049	1.0
133.10098	1.9
137.05899	1.0
137.09514	1.8
145.04953	25.3
147.11714	1.4
151.11159	20.8
163.05974	10.2
165.09084	9.6
180.69417	1.0
181.06439	1.9
225.85561	1.2
266.64383	1.0
277.21442	1.2
278.98886	1.2
295.22675	2.0
313.16470	1.9
379.59045	1.5
409.35080	1.0
509.34448	4.8
510.34518	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	510.3269
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81059	0.8
55.01860	1.2
55.05498	2.2
56.05026	3.9
57.03425	2.0
57.07065	1.3
57.75655	0.7
60.04514	100.0
60.94588	0.8
61.02890	1.1
61.73419	0.9
67.05495	14.7
69.03418	8.5
69.07051	2.3
70.06584	1.4
71.04980	10.9
72.04503	4.5
73.02903	1.3
74.06073	2.1
79.05480	9.1
80.05000	1.2
81.03415	3.7
81.07035	17.9
82.06569	1.3
83.04980	1.9
83.08612	1.3
84.04484	1.1
85.02890	24.4
86.06059	2.2
86.09693	1.0
91.05466	9.7
92.63317	1.1
93.07022	12.4
94.06558	1.4
95.04939	2.0
95.08601	10.6
96.08096	2.1
97.02884	8.1
97.06481	1.8
99.04416	2.2
104.07079	1.1
105.07011	7.8
107.08566	9.5
109.02842	1.8
109.06508	1.7
109.10167	4.7
110.05965	0.9
111.08095	1.0
111.54603	0.9
114.36354	0.9
117.06999	2.0
119.08576	5.0
120.08057	1.5
121.06491	1.8
121.10126	12.6
123.08093	1.2
123.11690	3.8
127.03909	2.2
129.05469	3.9
131.08569	4.6
133.10126	6.0
135.11708	2.3
136.14870	0.9
143.08551	1.5
145.05038	1.1
145.10153	1.5
147.06470	1.1
147.11679	3.9
149.09511	1.2
149.13287	1.7
151.07487	1.6
159.11711	3.5
167.10658	2.0
167.14203	0.9
173.13220	1.0
175.14848	1.1
189.09091	1.7
190.12509	0.9
224.11243	1.1
254.62144	1.0
276.23160	3.5
277.21619	1.5
294.24350	5.0
308.53143	0.9
312.25339	6.9
313.16287	3.5
330.26352	29.5
348.27377	40.0
390.28510	1.1
492.31818	2.3
510.32651	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.3422
Annotation	Unknow
Peak:m/z	Relative Intensity
50.30172	1.6
50.85653	1.5
55.05518	2.7
56.96567	1.9
57.07060	4.2
61.46760	1.6
67.05493	4.0
70.06586	21.4
71.08600	3.2
79.05466	7.3
81.07042	11.8
88.07610	2.8
91.05466	3.6
93.07020	8.4
95.04950	8.0
95.08587	4.5
104.07870	2.0
105.07029	13.1
107.04948	2.8
107.08602	3.1
109.06503	3.6
109.10128	2.4
113.01990	2.1
117.06966	2.4
119.08594	8.8
123.08082	2.5
130.07735	1.9
131.08595	1.8
132.10194	9.5
135.08054	3.3
139.03859	2.0
145.10109	2.2
146.11748	9.6
149.02325	100.0
149.03339	4.9
159.11681	2.2
193.04932	93.7
212.23839	2.3
237.07535	95.4
271.60828	2.3
300.28851	36.6
357.23001	2.0
436.17618	2.0
448.30255	2.0
510.26648	3.3
510.34201	98.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.1608
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.7
53.52437	0.2
55.01867	4.0
55.05505	0.4
57.03431	2.7
57.07091	0.2
59.04985	0.3
60.88990	0.2
61.02923	3.0
65.03928	2.0
67.01925	0.2
67.05493	2.1
68.99784	1.7
69.03418	9.1
69.07059	0.6
69.40305	0.2
71.01343	0.3
71.04966	2.8
71.78160	0.2
73.02906	4.0
73.52326	0.2
79.05487	1.6
81.03407	11.0
81.07036	3.1
83.04961	0.9
83.08622	0.4
85.02893	21.5
85.06513	0.4
87.00816	11.6
87.04453	0.4
91.05464	100.0
93.03418	0.5
93.07028	1.9
95.08578	1.8
97.02876	18.0
97.06491	0.3
97.10155	0.4
97.45696	0.2
99.04436	4.8
99.08087	0.4
100.11269	0.3
105.01849	5.0
105.07006	2.0
107.08560	1.7
109.02863	9.2
109.06465	0.3
109.10125	1.7
115.03899	0.3
117.01823	2.5
119.08620	0.4
121.10108	1.6
123.08082	0.3
123.11668	1.0
127.03899	9.8
127.04808	0.5
129.01808	1.3
131.08618	0.3
133.06459	0.3
135.07979	0.3
135.11697	1.4
137.02266	0.4
137.09625	0.4
145.04927	4.3
145.10091	0.3
149.02292	1.8
149.13269	0.6
152.21539	0.2
159.02863	4.6
161.02321	0.5
161.05991	0.2
161.13235	0.3
167.03363	5.3
175.03957	0.5
177.01689	0.3
179.03343	2.1
189.05450	1.2
191.03331	2.2
197.04465	0.4
199.03842	0.3
203.03374	1.5
213.03839	0.4
215.03421	0.4
221.04352	0.5
221.09518	0.3
231.04997	0.5
233.04482	2.1
239.07007	0.5
244.03642	0.4
245.04375	4.0
245.08170	1.2
251.06992	2.2
257.04495	0.9
257.08069	1.1
259.20486	0.4
263.05432	0.6
265.08633	0.3
269.08029	7.1
269.10757	0.3
275.05359	0.3
277.21527	1.9
281.08151	0.3
287.09161	1.0
293.08081	3.7
295.22662	1.7
307.09583	0.2
311.09091	4.6
313.23621	0.5
317.08075	0.6
323.09283	0.3
331.24915	0.3
335.09091	9.4
353.10117	5.6
361.05414	0.4
375.46786	0.3
377.10693	0.3
403.21399	0.3
420.80740	0.3
421.09268	1.1
439.10187	3.8
457.11322	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	510.2176
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89363	0.3
53.03925	0.5
57.03419	0.3
57.55576	0.4
61.02922	0.5
64.02367	0.3
69.03408	2.4
70.06562	0.6
70.68204	0.5
83.14330	0.4
85.02896	7.5
89.05995	1.7
91.05470	3.2
93.07021	3.9
95.04878	0.4
97.02870	3.0
103.05432	2.0
109.02853	0.8
119.04929	1.7
121.02843	0.8
121.06477	1.8
123.04375	0.8
123.08028	2.5
127.03913	0.8
131.04855	0.5
133.23166	0.4
136.05147	2.0
137.05946	1.6
145.04883	0.5
147.04433	0.7
151.07521	100.0
152.07875	0.7
167.07124	0.5
169.08572	13.0
169.09947	0.7
175.07487	2.4
193.08600	1.0
205.08575	0.5
211.09453	0.5
216.11359	0.4
217.08533	0.6
295.11774	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	510.2544
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35325	1.5
53.03933	3.5
54.06585	1.3
55.01868	4.0
55.05502	38.0
57.03421	11.3
57.07061	2.3
59.04963	2.0
61.02905	1.6
62.36948	1.7
66.54492	1.6
67.05485	8.8
67.56609	1.5
69.03413	18.7
69.07045	10.2
70.06583	2.4
71.04963	10.1
72.08131	2.0
73.02892	4.4
79.05470	7.6
81.03403	16.3
81.07035	23.8
83.04967	20.7
83.08600	19.2
85.02891	44.3
85.06541	3.8
87.00812	19.2
91.05454	12.4
93.04874	1.9
93.07032	27.4
95.04954	16.8
95.08574	19.0
97.02858	20.7
97.06514	9.7
97.10136	1.8
99.04430	19.0
105.01832	17.3
105.07005	23.4
106.85789	1.7
107.08578	42.2
109.02869	13.4
109.06511	10.2
109.10141	31.5
111.08078	4.2
116.52110	1.6
117.07015	1.9
119.08553	20.8
120.08134	1.9
121.10123	40.3
123.08051	32.8
123.11691	7.4
125.09602	2.1
127.03907	22.0
131.08522	16.7
133.10103	69.4
135.08040	2.7
135.11665	12.6
137.09595	7.2
138.09134	1.9
139.11124	17.3
145.04930	2.0
145.10114	11.9
147.11662	22.8
149.05936	3.9
149.13235	25.9
150.06288	2.1
151.07521	10.4
151.11143	24.1
153.09079	2.5
158.10890	7.2
159.02856	2.2
163.14807	9.6
165.12752	3.6
167.14308	18.6
170.04477	1.9
173.13243	28.9
175.14819	2.3
181.08560	18.0
191.14275	42.6
199.09604	7.9
207.13731	2.7
209.15338	100.0
218.14107	2.0
227.16379	58.3
231.04930	2.0
457.20230	2.4
475.21478	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	509.3681
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.05504	27.4
57.07065	18.6
62.62268	0.9
67.05489	33.1
69.03416	2.4
69.07051	61.5
71.04983	1.7
71.08286	0.9
71.08605	8.7
73.29299	0.9
74.09684	1.0
74.76418	1.1
79.05474	10.8
81.03391	1.2
81.07035	100.0
83.04970	1.3
83.08604	33.5
85.02885	11.1
85.06533	11.5
85.10162	2.2
90.96241	1.0
91.05468	4.3
93.07020	23.1
95.04945	1.7
95.08584	88.6
97.02889	1.8
97.06478	1.5
97.10155	23.6
99.08091	7.8
105.07023	5.0
107.08574	18.5
109.06498	1.9
109.10139	63.1
111.08042	4.3
111.11686	14.9
113.09679	1.5
115.05517	1.2
119.08568	2.1
121.10133	14.6
123.11687	36.9
125.13247	4.5
129.07013	1.0
131.08566	1.2
133.10110	1.3
135.11667	10.7
136.66641	1.2
137.13219	12.5
145.10109	1.1
147.11679	1.1
149.09583	1.7
149.13235	20.7
151.14821	5.6
153.01791	1.6
153.12668	1.1
163.14787	7.0
165.09119	1.3
165.16394	4.7
167.14377	2.0
177.16385	1.3
179.17944	2.6
193.19490	4.3
205.19431	1.5
219.20972	2.3
249.25668	1.2
257.04340	11.1
263.27417	1.8
273.06122	1.2
275.27319	9.4
281.28375	8.7
286.04733	2.2
287.05334	2.2
293.28268	30.3
297.03778	1.8
299.29346	2.4
311.29251	9.0
329.30441	2.6
415.60983	1.1
509.10931	8.8
509.28027	1.3
510.10818	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.3
55.01863	8.3
55.05507	47.9
55.75624	1.3
57.03431	10.5
57.07071	18.5
61.59050	1.1
63.94756	1.2
65.03920	1.7
67.05492	45.4
69.03422	7.1
69.07055	54.1
71.04971	6.8
71.08620	5.6
79.05476	41.5
81.03399	13.1
81.07038	100.0
83.04974	6.6
83.08603	43.6
85.02900	14.6
85.06520	17.1
85.10184	1.7
91.05458	25.6
92.09361	2.0
93.07029	44.1
95.04944	20.7
95.08585	88.1
95.09196	2.9
97.02857	2.5
97.06503	5.7
97.10152	35.0
97.59422	1.3
99.08055	2.1
100.77520	1.4
103.05445	1.6
105.07012	20.2
107.04940	25.4
107.08579	42.7
109.06496	16.8
109.10143	57.1
110.10464	1.5
111.08059	10.8
111.11693	12.1
117.07001	9.3
119.08559	14.7
121.06469	15.2
121.10130	24.7
123.08054	5.5
123.11685	34.5
125.09566	13.1
125.13267	3.0
127.07594	1.5
127.11216	1.3
129.06999	7.4
131.08545	12.9
133.06477	3.4
133.10115	7.9
135.08038	8.2
135.11665	13.5
137.09583	2.6
137.13245	9.3
141.06923	2.2
143.08562	3.1
145.06496	7.3
145.10123	8.1
147.08087	2.8
147.11682	6.2
149.06017	1.9
149.09595	7.7
149.13237	24.2
151.07520	1.8
151.14774	3.4
153.09100	1.6
153.12747	1.6
157.10144	2.5
159.08060	1.6
159.11642	5.4
161.09601	3.1
161.13295	1.8
163.11148	6.0
163.14807	8.2
165.09105	9.1
165.16357	2.9
167.10696	1.7
167.14249	2.9
171.11668	1.6
173.09663	1.7
173.13184	1.9
175.11168	2.5
179.17839	1.5
187.11211	2.3
187.69357	1.6
189.11191	3.6
189.12740	1.7
191.17923	2.3
193.12277	2.4
193.19452	2.2
199.11305	2.1
205.12209	2.0
205.19618	1.7
219.13806	2.6
227.12704	2.2
249.25722	2.4
257.04416	1.8
273.14804	2.6
275.27332	12.1
281.28360	1.9
293.28333	30.8
302.18219	1.6
311.29446	7.0
329.30313	2.0
333.44620	1.7
349.21500	5.2
367.22610	10.7
385.23666	20.4
403.24725	5.9
406.51230	1.5
459.27292	27.7
477.28455	24.0
491.30209	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	509.3685
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.0
54.81490	0.9
55.01861	1.2
55.05240	1.2
55.05502	26.4
55.34116	0.9
56.72141	1.0
57.03419	0.8
57.07061	13.4
61.02925	1.1
64.33197	1.1
65.21475	0.9
67.05495	28.0
69.03417	4.2
69.07054	62.8
71.04976	1.2
71.08616	5.1
79.05473	8.2
81.03388	1.6
81.07037	100.0
83.08604	30.3
85.02885	14.8
85.06530	12.5
85.10158	1.7
86.52386	1.0
91.05455	2.1
93.07027	14.2
95.04993	1.1
95.08584	93.8
97.02879	2.3
97.06507	1.2
97.10146	21.5
99.08034	8.3
105.07003	1.6
107.08572	18.1
109.10136	54.7
111.08053	2.4
111.11687	14.5
113.09654	1.8
116.40304	1.1
121.06426	1.1
121.10107	11.7
123.11686	31.1
125.09605	1.3
125.13267	4.4
127.03902	1.8
129.12695	1.2
135.11684	6.7
137.13222	13.6
145.10175	1.4
149.13242	11.9
151.14810	9.7
153.05463	1.4
155.14252	1.5
157.10112	1.1
158.93410	1.2
163.14795	6.5
165.16402	4.7
177.16357	2.4
178.57224	0.9
179.17899	1.4
183.17532	1.3
191.17874	1.5
193.19545	1.5
199.20517	1.5
208.08267	1.0
219.21100	1.2
226.44914	1.0
237.22292	1.1
263.27505	1.3
275.27295	6.6
281.28244	9.5
293.28278	20.0
306.92203	1.3
311.29297	13.9
315.02325	1.2
385.23367	1.4
424.99930	1.0
510.51459	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61652	1.4
53.00286	1.7
55.01863	13.3
55.05503	68.1
57.03435	13.1
57.07058	11.9
59.04997	1.7
63.63910	1.5
65.03925	3.0
67.05490	67.7
69.03432	6.6
69.07056	46.1
71.04974	15.5
71.08627	1.9
79.05476	65.9
79.27629	1.8
80.05856	2.4
80.59664	1.6
81.03397	24.7
81.07036	100.0
82.22167	1.6
83.04977	9.5
83.08605	44.6
85.02870	7.8
85.06528	14.1
86.01273	1.9
87.04469	2.1
91.05462	43.1
93.07018	62.3
94.07359	2.1
95.04947	30.0
95.08582	80.3
97.02863	4.6
97.06506	10.8
97.10150	47.3
99.08114	3.8
105.07002	45.0
107.04945	39.1
107.08574	44.2
108.08920	2.0
109.06509	21.6
109.10142	51.9
111.08069	4.0
111.11690	7.4
113.09624	1.8
117.06998	17.5
119.08575	23.3
121.06473	24.9
121.10115	30.6
123.04395	2.8
123.08054	12.1
123.11696	28.1
125.09619	29.5
125.13281	2.5
127.11178	2.7
129.06970	8.9
131.04919	2.6
131.08522	26.5
133.06468	3.9
133.10123	12.4
135.08031	15.4
135.11670	13.2
137.05974	2.7
137.09583	4.1
137.13263	9.0
139.03850	3.9
141.06985	7.0
142.07791	2.7
143.08545	11.0
145.06464	12.7
145.10130	18.4
147.08035	3.5
147.11696	7.4
149.02330	4.3
149.05928	2.6
149.09602	12.4
149.13275	11.9
150.02701	2.8
151.07532	3.7
151.14722	3.7
153.09091	8.3
157.06441	2.3
157.10089	8.1
159.08034	4.0
159.11635	10.1
161.05975	2.9
161.09676	2.4
163.11140	7.9
163.14810	7.0
165.09164	2.5
167.08508	2.2
167.10535	2.1
167.14253	3.1
169.10117	2.9
171.08020	2.9
171.11662	3.7
173.09633	2.3
173.13126	3.2
175.11186	3.0
181.10037	1.8
189.11212	10.1
191.14230	2.5
193.04968	2.9
193.12178	4.1
194.05367	2.2
195.11702	2.3
197.13190	2.4
199.11305	3.6
211.14668	3.1
215.14220	2.8
219.13773	8.2
227.12767	4.0
231.13780	3.9
233.15355	3.3
237.07637	6.3
247.16814	2.0
255.13795	2.6
257.04431	10.5
267.15863	4.0
273.14664	8.3
275.27441	4.5
281.28357	3.1
293.28409	16.8
297.03790	3.1
311.29324	3.4
339.23517	2.7
349.21439	4.5
357.24051	3.9
367.22586	21.9
385.23663	28.2
403.24698	9.9
441.26721	2.6
459.27417	43.2
473.32449	3.2
477.28363	33.2
509.10629	10.0
509.26855	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	509.2743
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	7.1
55.01864	76.4
55.05504	86.3
57.03424	31.4
57.07053	9.8
64.20435	3.8
65.38706	3.5
67.05491	95.3
69.03408	16.5
69.07048	28.8
71.04976	8.7
77.71152	4.4
79.05474	94.0
81.03407	41.4
81.03794	4.4
81.07032	100.0
82.04161	5.3
83.01330	19.7
83.04957	55.2
83.08586	31.1
85.02894	8.4
85.06508	6.1
91.05452	86.1
93.07020	90.9
95.04955	56.3
95.08575	57.4
97.02885	6.6
97.06507	23.6
97.10134	8.2
98.07278	8.9
105.07021	66.9
107.04948	57.1
107.08571	51.6
108.75700	4.1
109.06518	31.0
109.10149	36.7
111.04429	7.9
111.08044	9.7
117.06984	25.5
119.08568	49.9
121.06479	19.4
121.10103	38.7
123.08021	23.6
125.09602	20.3
129.06958	9.7
131.04941	4.5
131.08537	25.2
133.10097	27.2
135.08028	7.6
135.11676	28.2
137.05881	4.4
137.09514	15.2
142.07785	4.8
143.08524	4.4
145.10110	43.8
147.08018	8.6
147.11649	24.0
149.09601	9.8
151.07547	6.0
155.08513	8.0
157.10060	9.0
159.11623	5.6
161.13197	4.0
163.11131	44.9
173.09601	7.1
176.11513	4.5
179.10594	4.4
201.14760	7.8
209.11661	8.9
227.12759	8.4
255.15878	5.4
264.37622	3.8
281.13565	4.9
283.15320	19.8
337.16281	7.7
403.95319	4.2
421.09827	4.8
431.03467	4.4
437.24896	6.8
445.39856	4.2
463.26520	6.9
473.32828	5.0
491.26669	5.3
509.27438	82.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.8
55.01859	45.9
55.05508	66.4
57.03416	19.7
57.07073	7.7
61.76355	3.6
67.05195	4.4
67.05495	87.3
69.03407	22.9
69.07058	42.4
71.01351	6.1
71.04965	20.9
79.05483	70.2
81.03392	33.8
81.07037	100.0
83.01340	15.1
83.04966	40.9
83.08591	26.8
85.02903	7.3
91.05463	61.5
92.15871	4.0
93.07030	64.2
95.04936	36.1
95.08588	76.0
97.02824	5.6
97.06491	19.4
97.10148	18.0
99.04389	4.3
105.07026	57.7
107.04939	26.9
107.08590	57.3
109.06505	33.5
109.10144	45.4
111.04423	7.2
111.08081	10.7
117.06998	19.8
119.08568	40.4
121.06461	10.7
121.10130	38.7
123.08019	20.0
123.11680	19.6
125.09637	15.7
129.06996	8.9
131.04880	4.8
131.08540	27.3
133.10089	20.5
135.08057	18.8
135.11690	19.0
137.09631	5.2
139.07526	5.4
143.08501	15.7
145.06502	4.7
145.10123	29.1
147.07996	7.0
147.11667	9.6
149.09552	10.0
153.12712	7.6
155.08488	5.9
157.10088	7.9
159.08031	4.4
159.11687	9.7
163.11115	31.2
165.09084	7.3
173.09549	6.5
177.09113	6.2
185.09619	4.5
189.06931	4.8
193.12117	6.7
203.10686	4.2
209.11676	9.2
227.12718	5.7
283.15216	7.7
333.62387	5.1
392.18069	4.3
473.32886	7.2
491.26154	8.0
509.10046	5.6
509.27069	47.7
538.01788	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	509.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.5
54.09443	0.5
55.01849	1.3
57.03423	0.7
58.50043	0.6
61.02898	0.9
65.03927	6.6
68.99788	5.1
69.00105	0.8
69.07034	0.7
70.54256	0.6
71.04973	1.5
79.05471	1.5
80.57861	0.7
81.03394	1.2
81.07044	0.9
83.04960	1.0
85.02875	4.4
85.96783	0.7
89.03875	2.8
89.91305	0.6
91.05411	0.8
93.03383	8.3
93.06978	1.2
95.04922	5.0
97.02881	0.9
98.97552	0.8
103.05411	0.7
105.03352	1.1
107.04951	8.2
109.02872	0.8
109.06424	0.7
109.10156	1.2
111.00783	1.6
111.04428	44.5
112.04829	0.6
115.05452	1.3
117.03351	3.3
117.07018	0.9
123.04405	73.3
127.03870	11.1
127.71810	0.7
131.04880	3.6
131.08554	0.8
134.05972	4.0
135.04393	100.0
137.02287	3.0
139.03885	60.1
146.05977	5.9
147.04390	1.6
149.02303	9.7
149.05980	2.7
150.03101	1.0
151.02721	1.4
151.03877	33.2
151.05106	1.1
152.88307	0.7
154.05008	0.8
155.04875	0.9
157.06438	0.9
158.05997	5.5
159.04344	1.6
159.06738	1.2
160.07567	6.2
160.52467	0.7
161.05974	1.0
162.05461	12.8
163.03876	19.2
170.05963	1.3
173.05946	3.2
177.05441	1.7
179.03377	5.7
179.41928	0.8
182.06033	1.0
183.04323	2.5
183.06764	3.4
184.07549	1.0
185.07068	3.5
186.05412	1.6
187.03888	0.9
196.07555	1.2
197.05922	3.0
198.05458	1.2
201.05429	4.0
203.06955	1.3
204.06508	18.4
206.04465	1.5
207.04758	1.5
210.05453	1.0
213.05371	1.5
215.06966	1.1
215.46390	0.8
216.06430	1.1
221.09172	5.0
223.71750	0.8
224.06938	0.9
225.05420	2.7
229.04976	5.0
230.04372	0.8
231.06291	5.6
241.04990	1.0
243.06367	1.3
245.06285	0.8
246.09081	3.0
247.05962	1.3
249.07713	1.1
253.04922	1.0
259.05872	4.6
261.07468	5.3
266.08142	3.5
268.05902	4.5
271.05951	23.6
273.07742	0.8
274.08636	1.3
278.07941	4.1
281.06937	1.8
282.07541	0.7
284.09045	2.9
289.07001	26.4
290.07825	0.8
291.08893	1.6
292.06659	1.3
292.09637	11.8
293.09094	0.8
294.07501	7.0
295.81876	0.8
296.09210	2.5
302.07904	1.3
304.09503	1.5
308.09079	4.2
322.06946	4.2
334.06897	1.4
336.07040	1.5
337.07361	6.9
338.07477	1.2
340.08011	5.1
352.07953	1.1
355.09088	0.9
357.10620	1.5
365.11209	3.8
382.08939	4.3
404.11197	3.2
411.09723	1.1
412.09888	0.9
416.10980	0.9
417.11877	4.1
418.12631	1.0
447.14975	0.8
474.11685	4.1
491.14539	8.2
492.12683	4.6
509.16284	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	509.1283
Annotation	syringetin-3-O-glucoside
Peak:m/z	Relative Intensity
52.88027	0.4
53.03936	0.9
54.81631	0.4
55.01854	0.6
55.05499	0.5
57.03416	2.1
61.02896	2.6
67.05487	0.5
68.99777	0.6
69.03407	7.8
69.07063	0.8
71.04962	2.2
73.02872	0.5
74.05502	0.4
79.05454	0.9
81.03381	3.0
81.07030	2.6
85.02884	15.5
92.09319	0.6
93.07015	2.2
95.04884	0.6
95.08554	2.4
97.02851	4.3
99.04411	0.7
105.07079	0.7
107.04955	1.1
107.08587	1.1
109.02864	0.9
109.10139	0.9
111.04452	0.7
119.08568	0.9
121.02857	1.0
121.10133	0.9
125.05867	0.6
127.03874	2.4
133.10098	0.6
135.08072	0.6
135.11644	0.5
137.02290	0.9
139.03867	5.6
149.13297	0.6
150.03076	0.9
153.01808	11.1
153.05403	6.1
154.06227	0.7
159.11751	0.7
165.01794	3.3
171.04378	0.6
181.04941	3.1
183.02890	2.1
201.05463	0.8
207.06419	0.9
213.05373	0.8
229.04854	1.2
241.04872	0.8
243.02965	0.9
244.03624	2.1
255.02795	1.2
257.04425	2.5
258.05151	9.7
259.05978	3.1
269.04352	2.6
272.03204	0.8
285.03818	2.9
286.04623	6.7
287.05429	12.4
289.03464	0.8
291.08490	3.6
303.04907	4.4
313.03238	1.1
314.04037	1.1
315.04791	4.7
331.04413	8.3
332.05292	3.9
347.07529	100.0
348.08255	1.0
487.75571	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.2389
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39073	0.5
53.03922	0.9
55.05500	1.1
57.03425	7.8
63.44271	0.5
67.05491	0.6
69.03410	4.3
71.04975	45.4
73.02895	2.7
75.04457	2.7
79.05483	3.1
81.03410	0.9
81.07051	1.2
83.04966	5.9
85.02890	53.5
87.04458	0.9
91.05461	2.5
92.09234	0.8
92.63952	0.6
92.84224	0.6
95.08591	0.7
97.02869	1.0
99.04434	0.8
103.05447	3.2
105.07005	10.5
107.08556	1.1
109.02866	0.9
111.04420	4.0
117.07014	1.0
117.75205	0.6
119.08578	1.3
120.05695	2.7
121.06495	1.5
123.04392	0.9
127.03918	1.1
129.05457	9.8
133.06535	0.7
135.08029	7.6
139.03859	1.2
142.23759	0.6
145.04913	0.7
147.06512	4.6
147.07886	0.7
149.06009	1.1
150.06709	3.5
163.03951	0.7
163.07707	0.7
164.09207	1.0
165.09077	100.0
175.07552	0.8
177.09062	1.0
179.10669	1.2
183.10146	10.7
195.10143	13.6
196.24391	0.6
202.02885	0.7
207.10127	14.1
219.10233	0.6
225.11226	4.3
231.10204	1.1
236.39313	0.7
243.10110	4.4
249.11313	0.9
275.12695	7.1
293.13834	7.2
311.14853	3.2
343.37378	0.7
352.90781	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	508.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74763	0.5
52.77028	0.6
53.03924	2.8
55.01854	2.5
55.05502	2.7
56.41819	0.6
57.03428	3.2
58.55804	0.7
61.02914	6.0
68.55930	0.6
69.03414	12.0
70.06570	0.9
71.04980	1.5
73.02889	1.1
81.03391	6.9
81.07027	0.8
83.04956	3.8
85.02884	48.1
85.68595	0.6
89.06002	0.7
91.03941	1.4
91.04887	1.1
91.05451	26.0
95.04964	2.9
96.15902	0.6
97.02859	13.2
99.00781	2.9
99.04433	1.4
105.01843	0.7
107.04926	9.2
109.02855	4.6
119.04912	63.7
119.08484	0.7
120.05753	2.6
121.02829	1.1
121.10099	0.7
123.08025	1.1
127.03885	8.0
133.55295	0.7
145.04958	6.3
145.06384	0.8
147.04387	7.6
148.04738	3.5
165.06857	1.0
166.07750	0.8
167.07153	2.0
167.08551	4.3
175.07483	0.8
177.05461	1.2
177.06953	2.8
180.08601	1.4
189.05521	0.9
195.08029	6.8
212.08324	0.9
213.09058	100.0
225.14786	6.0
237.08995	0.8
249.07631	0.7
277.53363	0.7
293.07819	1.0
311.08969	1.6
329.09921	0.9
377.59750	0.7
508.15964	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.4202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39695	1.8
53.05111	1.7
55.05499	2.8
57.14166	1.8
69.07057	10.0
81.07042	3.4
95.08582	4.5
100.36188	1.9
103.47840	2.0
109.10192	4.2
119.08540	3.4
121.23339	2.5
137.09656	8.9
147.08037	10.5
156.00896	2.4
165.09068	89.4
196.52361	2.1
201.82318	2.2
202.78081	2.0
203.31320	2.2
207.10144	100.0
237.50679	2.6
257.15720	2.6
276.25098	2.3
427.53619	2.4
471.38364	3.1
507.34003	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	507.3525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.2
55.05502	24.1
57.03438	1.4
57.07061	11.5
57.66906	0.9
59.04991	1.3
61.02922	1.3
67.05491	35.8
69.03414	1.8
69.07054	51.1
70.68005	0.8
71.04982	5.2
71.08630	3.8
74.47513	0.8
79.05473	19.5
81.03404	1.9
81.07037	100.0
83.04965	1.8
83.08603	22.3
85.02882	7.8
85.06536	7.4
91.05460	21.1
93.06425	1.3
93.07025	40.7
95.04959	4.8
95.08585	78.4
97.02855	4.1
97.06512	4.6
97.10151	10.0
99.08071	2.3
104.51535	0.9
105.07009	16.6
107.04955	1.2
107.08575	34.2
109.02875	1.1
109.06541	3.4
109.10139	44.3
111.04449	1.2
111.08095	2.2
111.11690	7.7
117.06895	1.0
119.08553	13.6
121.10120	22.6
123.08049	1.5
123.11689	32.5
131.08569	1.5
133.10085	11.6
135.11670	18.2
137.05920	1.3
137.09570	1.9
137.13257	6.2
137.86922	0.9
139.11183	0.9
145.10143	1.1
147.11652	6.9
149.09648	1.0
149.13235	18.7
151.03899	1.2
151.07565	1.3
151.11197	1.2
151.14793	1.9
153.12729	4.4
161.13208	5.1
163.14769	6.5
165.12660	1.6
165.16396	1.1
168.13811	1.0
173.07990	1.1
175.14825	1.2
177.05405	1.1
177.16376	3.7
179.17822	1.0
189.16350	1.6
191.18054	1.2
191.47835	0.9
217.19446	1.3
261.25839	1.7
273.25797	7.9
279.26666	7.2
291.26773	17.5
297.27704	2.1
309.27850	14.2
327.28912	1.8
368.07361	0.9
394.23947	1.0
437.43893	1.0
448.52734	1.3
464.12698	1.0
507.32684	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	507.4199
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02245	2.9
53.03936	3.0
53.81719	3.5
55.05499	22.0
57.07058	6.1
61.88203	3.1
67.05503	30.5
69.03431	6.1
69.07046	25.8
71.04984	3.6
72.14685	3.5
72.36633	3.1
79.05477	36.2
81.07040	100.0
83.08607	5.4
91.05469	26.4
93.07031	67.1
95.04951	7.3
95.08590	67.1
97.06515	5.5
98.07677	3.5
105.07025	66.5
105.07681	6.8
107.08587	72.9
109.10140	46.2
112.08657	3.4
119.08565	57.0
121.09363	4.8
121.10125	49.4
123.08064	4.2
123.11688	9.0
131.08540	16.4
133.10124	28.8
135.08073	3.4
135.11671	25.0
137.13293	4.1
145.10091	29.4
147.11676	24.9
149.13261	21.7
154.34279	4.1
157.10114	9.1
159.11626	24.6
161.13246	22.5
163.14774	6.9
171.11623	7.0
173.13239	16.9
175.14755	5.7
185.13283	5.6
187.14738	5.6
189.16350	6.9
195.99731	4.0
197.13350	5.1
199.14684	7.6
201.16377	6.1
203.18050	4.9
213.16342	7.0
215.17987	6.4
217.19385	5.5
222.87251	4.4
289.32813	4.3
301.49518	3.7
316.00955	3.7
327.17490	4.0
394.36435	3.8
489.40741	5.5
507.41809	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	506.1866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.55931	0.4
55.01862	0.9
57.03405	1.1
59.72416	0.5
60.16283	0.5
61.02906	2.3
64.32734	0.5
69.03414	4.0
73.02907	0.6
81.03391	2.4
85.02412	1.0
85.02884	14.1
92.08648	0.8
97.02866	3.3
111.04424	0.6
115.05426	9.1
117.06982	1.4
127.03876	1.1
129.07005	0.8
130.08667	0.6
131.04872	4.4
141.06972	2.6
143.04898	34.6
144.05661	0.8
145.02803	0.8
145.06491	2.5
146.03613	0.8
147.04382	7.7
149.05949	3.5
153.05434	2.7
157.06470	3.5
159.04492	0.6
160.05170	8.9
161.05940	24.7
163.07455	2.8
169.06412	3.8
171.04375	27.4
174.06857	1.2
175.07503	54.5
176.04686	3.0
177.05421	19.2
177.09102	1.0
179.06946	2.2
184.05165	1.3
185.05948	1.3
187.07495	3.7
188.04605	2.3
189.05444	14.5
189.09064	2.4
190.06267	0.8
191.06981	10.0
193.05016	0.7
195.06505	1.0
197.05904	1.1
199.03842	3.7
199.07532	2.4
200.04436	0.7
201.05455	3.5
201.09117	1.2
203.06989	89.9
205.04926	3.2
205.08545	1.4
207.06503	0.9
212.04681	2.7
213.05399	1.2
214.06169	0.7
215.07022	5.1
216.04153	0.7
217.04913	15.6
217.08388	2.1
219.06432	3.0
220.89172	0.6
221.08069	5.7
227.07010	11.4
229.08488	5.6
231.06462	18.6
233.07817	0.7
245.08066	10.1
247.05997	1.0
249.07515	100.0
261.07599	0.7
263.09058	4.4
270.20001	0.7
273.07526	12.5
291.08560	8.9
300.33463	0.6
309.09610	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	506.186
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88912	0.3
53.30703	0.3
55.01847	0.4
55.11501	0.2
56.96544	1.9
57.03416	0.8
58.67147	0.3
61.02900	1.8
69.03403	3.8
71.01250	0.3
73.02867	0.4
76.35442	0.3
81.03373	0.7
85.02887	11.7
91.03976	0.5
91.05456	4.2
92.09257	0.4
97.02874	3.5
98.97551	3.5
109.02844	0.4
116.98579	2.9
119.04912	17.5
127.03893	2.6
131.44958	0.4
134.99615	0.8
141.02252	0.6
145.04913	2.8
147.04382	100.0
153.35587	0.3
159.03271	1.9
160.03609	0.4
163.06010	1.5
165.05434	24.3
177.00644	0.7
187.82489	0.3
202.05022	0.6
213.07983	0.5
219.01651	0.4
227.06725	0.5
231.08897	0.3
237.02736	0.7
249.07500	0.5
265.11191	2.6
265.13632	0.4
266.11359	3.1
283.12036	1.8
284.12619	1.6
307.12189	1.8
308.12396	1.5
309.09579	1.8
326.13770	0.5
336.07034	1.5
341.56842	0.4
344.13269	0.6
382.07617	0.3
445.17487	0.7
446.17636	1.8
505.19229	1.9
506.19922	4.0
512.38971	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	506.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
54.81841	0.4
57.03422	0.9
61.02908	2.3
66.82749	0.3
69.03406	3.8
70.72354	0.4
73.02894	0.3
81.03387	2.3
85.02891	17.3
87.04439	0.5
91.05460	3.1
96.04480	0.5
97.02850	4.1
99.04457	0.5
109.02831	1.4
110.05984	0.4
119.04918	16.4
127.03916	2.6
134.04582	0.4
145.04950	2.3
147.04387	100.0
148.04651	0.5
156.06587	0.6
163.03932	0.5
165.05438	30.6
171.29997	0.3
174.96831	0.5
182.04941	6.7
182.08023	0.5
200.09087	0.4
207.25717	0.4
213.85965	0.4
231.55894	0.4
301.41159	0.4
327.10666	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	1.0
57.03428	1.2
66.35174	0.7
67.05486	5.1
69.07076	0.8
77.51463	0.7
79.05464	4.7
79.99102	0.7
81.03389	2.9
81.07019	4.4
83.04970	1.2
83.08675	0.7
85.02853	2.9
91.05479	3.8
93.07024	6.7
95.04948	1.8
95.08577	1.7
97.06543	0.8
99.50567	0.7
105.07014	3.9
107.08577	1.4
107.36490	0.7
109.06499	0.8
119.08522	1.2
124.00729	0.8
129.07013	1.0
131.08496	0.7
131.36845	0.8
135.11629	0.8
147.11668	1.2
157.23691	0.8
192.20718	0.8
193.12271	1.1
221.11432	4.6
251.12585	1.8
282.60263	0.8
301.50150	1.0
307.15192	4.5
422.11487	0.8
487.30499	0.9
505.27637	100.0
505.80954	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.15094	2.3
54.81411	2.6
55.01854	2.5
55.05497	23.7
57.03424	2.9
57.07055	10.7
67.05483	40.4
69.03408	3.4
69.07056	40.5
71.04967	6.0
71.15912	2.0
79.05466	29.0
81.03362	2.6
81.07035	100.0
83.04918	2.8
83.08606	12.7
85.02891	15.0
85.06525	18.2
91.05464	25.5
93.07006	47.1
95.08583	96.7
97.02869	2.4
97.06518	3.1
97.10147	4.3
99.08067	5.4
103.05477	3.5
105.07003	43.6
107.08587	52.0
109.06509	3.0
109.10133	45.7
111.08020	2.6
111.11683	3.3
114.32178	2.7
119.08575	32.6
119.31132	2.6
120.08076	3.2
121.10110	32.6
123.08070	4.1
123.11678	15.8
131.08537	10.9
133.10083	27.8
135.11661	28.3
137.09564	2.7
137.13205	3.2
139.03871	3.0
139.11194	2.8
145.10101	13.7
147.11662	25.8
149.13242	14.5
159.11690	13.6
161.13205	13.4
163.14764	12.0
173.13228	5.3
175.14743	14.1
177.16400	3.3
187.14754	4.3
189.16199	4.2
201.16367	4.1
213.10590	2.6
215.17894	4.7
233.23563	2.7
264.28329	2.8
271.24194	5.0
277.25201	5.2
289.25156	27.6
307.26230	17.4
319.14349	2.7
429.16891	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	506.1289
Annotation	Unknow
Peak:m/z	Relative Intensity
51.71901	0.3
51.98851	0.3
53.03931	0.7
56.05022	0.6
57.03434	0.4
59.58820	0.3
60.04506	0.8
61.02905	0.7
63.76949	0.3
68.05006	0.4
69.03415	3.5
70.06570	1.4
70.33390	0.3
71.04982	1.5
80.04996	1.5
81.03397	4.3
81.07026	0.6
83.04967	0.7
84.04485	13.3
85.02895	1.4
86.09688	0.5
91.05476	0.5
93.07021	0.5
96.04467	18.2
97.02860	5.1
98.06030	10.5
99.04426	2.2
107.08554	0.7
108.04518	0.6
109.02863	5.1
109.86827	0.3
114.05471	0.8
121.02815	0.3
124.03909	0.7
126.05487	22.7
127.03889	2.5
137.02299	0.6
138.05476	100.0
144.06540	23.3
153.01797	0.5
162.24342	0.3
168.06528	13.3
186.07594	11.2
186.09288	0.5
204.08652	16.9
229.05032	0.7
285.04044	0.4
302.17435	0.4
303.04904	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	506.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97779	1.0
55.01851	8.5
57.03416	2.7
58.78128	1.1
61.02911	5.4
64.32830	1.4
69.03419	9.3
69.75922	1.1
70.06553	1.7
71.01357	1.2
71.04948	1.5
73.02891	3.1
81.03407	4.9
81.07018	1.4
85.02879	23.4
91.05458	2.9
92.08685	1.9
95.01299	10.2
97.02862	11.2
99.04461	1.5
103.05446	5.6
107.04893	1.7
109.02855	1.3
111.04359	1.5
115.05437	11.6
117.03403	1.5
117.06956	1.9
119.04910	6.3
125.05920	1.6
127.03874	3.0
129.06947	6.2
131.04866	16.6
131.35712	1.5
137.05937	2.8
141.06955	7.0
143.04906	32.1
145.02817	7.8
145.06432	2.6
146.03596	1.9
147.04367	33.2
149.05905	17.1
151.03867	2.6
153.05446	12.2
157.02704	1.5
157.06462	8.0
159.04234	2.0
160.05176	10.6
161.05923	35.8
162.03157	1.5
163.03894	5.8
163.07527	5.2
169.06422	8.1
171.04361	21.6
173.05898	3.1
174.06686	1.7
175.03960	10.4
175.07510	60.6
176.04700	1.3
177.05414	84.6
179.06967	8.8
181.06335	1.5
184.05183	1.7
185.05946	6.1
187.03860	1.5
187.07448	11.3
188.04613	2.4
189.05434	18.7
189.09007	2.6
191.06961	11.7
193.04907	1.5
195.06424	10.0
197.05911	2.6
199.03857	7.4
199.07487	2.5
201.05432	8.5
201.09088	2.5
202.06038	1.5
203.06979	100.0
205.04947	6.1
205.08437	1.8
207.06470	30.0
212.04613	10.0
213.05476	7.0
215.06975	4.9
217.04874	14.0
217.08496	12.0
219.06512	8.0
221.08038	12.4
227.06984	35.8
229.08510	7.2
231.06497	25.5
233.08163	2.3
235.05986	1.9
245.08014	43.6
247.05948	2.7
248.30008	1.2
249.07510	83.6
261.07574	1.4
263.09073	2.7
273.07483	58.2
291.08554	24.3
299.60300	1.2
309.09576	49.7
328.49225	1.3
336.07004	1.3
470.78912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.1951
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
53.06003	0.9
54.83850	0.8
55.05499	1.4
56.96553	35.2
66.26895	0.9
66.57943	0.8
67.21427	0.8
68.98746	0.9
70.15244	1.1
71.30175	0.8
75.41421	0.8
77.14854	0.8
78.37212	0.8
79.91097	0.9
85.02880	1.1
85.49979	0.9
89.45497	0.8
93.07043	1.0
98.97559	100.0
115.00697	2.1
116.98595	55.1
121.10159	1.1
128.98540	1.4
131.17844	1.1
134.99614	19.6
143.00143	4.4
145.01720	4.0
153.00703	1.2
155.03682	7.0
157.01715	0.9
158.99626	16.0
159.03261	4.4
161.01196	3.9
163.02818	5.8
173.04842	11.4
175.02542	0.9
177.00679	23.2
181.05319	1.4
183.03354	0.9
185.04825	2.1
187.03029	1.1
191.05806	1.6
191.65884	0.9
197.04828	1.1
199.06403	10.6
201.04285	4.1
202.01527	1.3
203.05963	1.3
207.06935	1.3
209.15367	1.8
211.06424	11.5
213.07994	6.1
215.06006	0.9
217.07478	2.2
225.07930	33.9
229.07426	38.3
231.08948	10.5
233.10493	0.9
237.02765	1.4
239.09497	10.5
242.04584	1.7
243.09038	24.7
244.09714	0.9
247.08435	8.7
249.07921	1.4
253.05338	0.9
253.07272	6.9
255.12581	1.8
257.10498	7.1
265.11078	12.4
267.09000	16.3
271.08459	16.5
283.12094	24.1
285.10019	9.5
289.09686	1.9
299.39532	1.0
301.13153	23.0
307.11920	1.6
319.14282	2.2
325.13135	49.3
343.14194	31.9
385.15128	10.4
445.17349	15.8
463.18408	18.8
505.19440	57.1
530.61755	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.195
Annotation	tetranaphthylene
Peak:m/z	Relative Intensity
55.05503	2.7
56.96551	30.6
57.34018	1.0
63.57955	1.1
65.90049	1.2
69.03423	1.9
69.35876	1.2
74.97594	1.5
81.07050	1.9
81.98947	1.1
83.08616	1.5
85.02901	6.6
89.80257	1.1
95.04950	2.2
98.97566	72.3
105.07129	1.4
107.08604	2.2
109.10181	1.7
110.97586	2.0
115.00710	2.0
116.47596	1.3
116.98601	51.8
121.10078	2.9
128.98618	7.0
133.01714	2.7
133.10164	1.5
134.18053	1.3
134.99625	22.3
141.02214	15.9
143.00107	1.8
145.01680	1.8
145.02831	1.3
146.99686	7.0
147.03333	1.5
147.04379	5.2
147.08331	1.5
151.11203	1.6
153.00708	2.9
157.01695	2.1
158.99649	13.1
159.03259	40.6
161.01199	2.1
163.03867	12.3
166.00433	1.2
167.14339	2.0
170.99625	1.8
173.04886	2.5
177.00673	21.7
177.04335	8.4
179.03711	2.7
181.04964	1.7
183.03256	2.2
184.04128	5.7
185.04901	1.3
195.01665	1.6
195.06880	2.3
197.04909	6.9
199.06400	5.8
201.04359	3.1
202.05083	13.8
203.05969	7.2
209.04858	2.8
209.15398	9.2
211.06360	1.4
213.07997	11.5
213.50749	1.6
215.05954	1.7
219.01639	10.1
221.08574	1.9
223.06303	1.7
224.03581	1.8
225.08035	2.3
227.05881	16.7
229.07434	2.3
231.09018	8.1
237.02721	16.7
239.09538	7.6
245.06975	4.7
247.10052	9.1
249.07947	1.9
249.10370	1.7
255.04088	1.6
255.09048	1.8
257.10602	1.4
265.11075	100.0
267.09061	7.4
273.10172	1.9
283.12131	60.2
301.13321	5.2
307.12140	52.5
325.13126	25.5
343.14505	2.0
427.16409	8.5
445.17447	45.8
461.59119	1.9
505.19547	96.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	505.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
55.01854	2.6
55.05504	11.9
57.03429	6.7
57.72704	0.4
59.51742	0.4
61.02916	9.5
64.41158	0.3
64.94491	0.4
69.03416	18.4
71.04976	2.8
72.08176	0.4
73.02906	4.0
73.06538	59.7
79.70639	0.4
81.03403	6.8
84.08125	2.2
85.02890	100.0
85.06522	0.8
87.04444	2.3
91.03946	4.7
97.02871	23.5
98.97565	1.8
99.04435	4.6
103.03955	1.0
109.02867	10.4
109.12595	0.4
115.03951	0.7
116.98602	1.0
120.08092	2.2
127.03886	23.0
128.04179	0.4
145.04938	27.8
162.75859	0.4
163.05978	9.3
165.17339	0.4
167.06998	0.8
180.07530	0.4
217.10713	0.6
237.02802	0.8
253.12744	8.2
343.20123	0.5
354.08890	0.5
445.09912	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.2799
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	2.4
55.01846	4.0
55.05503	18.6
57.07050	1.8
60.06087	1.4
62.86853	1.6
63.19656	1.5
67.05491	27.4
69.03405	3.1
69.07050	27.1
73.02886	1.5
79.05460	16.3
80.06466	1.5
81.03429	1.9
81.07034	71.8
82.07333	1.4
83.04976	3.7
83.08109	1.6
83.08595	8.6
85.02886	9.6
85.06536	2.1
87.89188	1.7
91.05448	32.0
93.07015	100.0
95.04926	8.4
95.08579	42.6
96.08902	2.1
97.02878	3.6
97.10101	2.9
105.07007	55.6
107.08578	51.1
109.06493	6.9
109.10141	49.5
111.08080	14.6
114.38386	2.0
119.08547	34.7
121.10110	24.4
123.08058	2.6
123.11683	20.5
125.05941	3.2
127.11111	1.5
131.08522	2.3
133.06406	1.6
133.10120	25.3
135.11656	29.8
137.05928	2.0
137.09656	1.7
137.13245	2.4
141.05461	2.1
143.08588	2.0
147.11662	31.9
149.13234	3.5
157.10110	1.7
161.09506	1.9
161.13223	10.7
163.14746	2.9
189.05832	2.6
193.12180	2.0
203.05905	2.0
203.17900	18.7
221.19002	8.1
225.37369	1.8
285.09750	1.9
372.67612	1.9
432.31921	3.1
502.12033	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	504.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05503	6.0
55.93296	0.5
57.03171	0.9
57.03426	14.8
59.04985	1.0
61.02904	1.2
62.89468	0.4
67.05486	0.9
69.03416	6.8
69.07043	0.6
71.01337	7.2
71.04975	69.5
72.08147	0.9
73.02893	5.5
75.04476	4.1
76.55992	0.6
78.87943	0.5
79.05466	0.9
81.03398	2.9
83.04967	26.7
84.04489	2.2
85.02889	100.0
87.04443	2.2
95.01327	1.1
95.04960	1.4
97.02861	9.3
97.06494	2.4
99.00798	0.7
99.04417	2.2
101.02328	1.1
101.05987	1.2
103.03915	1.2
107.04945	1.1
109.02863	1.3
111.04425	18.1
112.03953	1.3
113.02327	3.0
113.06020	0.9
115.03908	0.9
125.02325	1.1
125.05962	2.3
127.03915	5.3
129.05444	16.9
135.04344	0.8
139.03889	4.5
141.01813	3.4
147.06528	8.3
151.03891	0.6
153.05447	2.5
157.04950	3.5
159.02870	1.1
163.03860	0.9
164.09074	1.0
165.01817	0.7
171.06456	7.0
177.04019	0.8
183.02899	0.7
195.06419	0.7
195.29045	0.6
199.05988	2.3
209.04329	2.4
213.03821	0.6
213.07481	0.8
217.06880	0.6
239.09091	2.3
241.06943	7.8
257.10220	1.1
259.08069	10.9
269.06540	0.7
287.07596	4.9
293.12390	0.7
305.08594	22.6
323.09592	3.8
410.53137	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.1869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00293	0.3
53.03939	2.5
55.01868	3.4
57.03428	3.9
58.59167	0.3
59.04956	0.4
61.02911	4.4
64.33221	0.3
67.72298	0.3
69.03416	21.3
71.01324	0.3
71.04975	6.4
72.41087	0.3
72.90054	0.3
73.02918	2.2
75.04456	0.3
81.03398	23.7
82.03732	0.4
82.07026	0.3
82.49163	0.4
85.02888	17.3
87.04456	0.6
88.50844	0.3
90.79050	0.3
91.03910	0.6
91.05455	0.3
91.57986	0.3
93.87618	0.3
95.04948	0.7
95.08556	0.4
97.02868	7.5
98.97565	0.3
99.04427	6.6
99.28254	0.3
109.02842	2.7
117.05448	1.4
125.02399	0.6
126.01022	0.8
127.03923	3.7
133.07594	3.6
134.06024	0.5
135.09151	0.3
143.03392	0.7
145.04938	1.4
147.04327	0.3
153.00569	0.7
153.01808	16.4
154.01147	0.4
154.02148	5.0
160.07538	0.5
161.07051	7.1
163.08633	5.9
171.02861	0.8
172.03210	0.3
178.07384	0.7
179.08112	1.6
189.06543	7.1
191.08139	6.4
206.06743	0.4
207.07620	100.0
217.09561	0.4
221.09204	0.6
249.08672	2.2
259.10739	0.4
287.10248	0.7
297.06015	0.5
298.06287	0.6
305.11298	1.8
315.06839	0.5
323.12286	21.9
324.12851	0.3
341.13370	51.8
418.64502	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	503.3579
Annotation	Unknow
Peak:m/z	Relative Intensity
54.23784	2.5
55.05496	21.1
57.03432	3.5
57.07072	3.3
67.05497	33.4
69.03410	5.7
69.07058	33.9
69.33826	2.5
71.04979	5.0
71.26154	2.5
76.84235	2.7
79.05479	16.1
81.07040	100.0
83.04974	4.3
83.08616	15.2
85.02897	5.8
85.06521	5.2
91.05463	15.2
93.07026	51.0
95.04971	6.6
95.08590	66.3
97.06523	5.3
97.10165	4.9
105.07014	26.7
107.08576	40.1
109.06501	12.6
109.10152	52.9
111.04425	21.1
111.08078	3.4
115.34686	2.7
119.08555	23.5
121.10116	30.0
121.36833	2.4
123.04432	4.2
123.08005	3.5
123.11701	23.6
125.05999	20.1
125.09628	3.4
127.03844	3.6
131.08562	3.6
132.94345	2.7
133.10109	19.1
135.11647	23.7
137.05972	12.5
137.09579	4.6
137.13217	6.8
141.05470	5.5
144.91927	3.2
145.10124	19.1
147.11665	17.6
149.09569	5.0
149.13223	16.3
151.07520	5.6
151.11261	4.0
153.05461	18.6
153.09111	4.1
155.07025	3.4
157.10052	3.8
159.08095	3.7
159.11694	5.8
161.13255	6.5
163.11253	3.4
166.44044	3.1
173.13290	2.8
177.09203	4.2
179.10616	13.5
201.16411	4.3
203.18074	4.2
209.11673	5.2
256.75754	2.8
280.28995	2.9
289.17923	4.3
305.24750	2.9
395.29260	3.0
413.30460	33.6
431.31662	44.7
449.32568	5.1
471.78821	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	503.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.1
53.00293	0.1
53.03941	1.4
53.96378	0.1
55.01867	2.0
55.05499	0.3
57.03427	1.7
59.29502	0.1
61.02914	1.5
66.95884	0.1
67.05482	0.6
68.99764	1.0
69.03064	0.2
69.03413	4.8
69.07039	0.7
71.04967	0.9
73.02896	1.4
77.80760	0.1
77.83217	0.2
79.05471	1.3
80.22288	0.1
80.60122	0.1
81.03404	5.1
81.07040	1.4
83.01308	0.2
83.04965	0.3
85.02888	11.9
87.00810	5.3
87.04434	0.2
91.03909	0.3
91.05450	0.8
93.07030	1.5
95.04931	1.2
95.08585	0.9
97.02866	4.0
97.06519	0.2
99.04424	2.2
103.03907	1.3
103.05390	0.3
105.01848	2.1
105.04536	0.2
105.07013	0.7
107.04936	100.0
107.08572	1.2
108.05260	0.8
109.02856	3.5
109.10147	0.8
115.03918	0.3
117.01835	0.9
117.03338	0.2
117.07004	0.8
119.04922	0.2
119.08546	0.7
121.06487	5.7
121.10095	0.3
123.04404	0.8
123.11705	0.3
127.03889	4.9
129.01794	1.3
131.04922	0.6
131.08511	0.3
133.06429	0.2
133.10132	0.7
135.04424	0.8
135.11674	0.2
135.94087	0.2
139.03876	0.2
144.05705	0.3
145.02832	0.9
145.04953	1.9
145.06432	1.8
145.10120	0.3
147.02969	0.5
147.04382	1.5
147.11629	0.3
149.05959	10.6
155.05882	0.2
157.06544	0.2
157.10138	0.3
159.02873	2.7
159.11676	0.7
160.29910	0.1
161.05972	1.2
165.05457	0.2
165.06886	0.2
173.05914	2.0
173.13187	0.3
177.05453	0.9
187.07600	0.3
187.14835	0.6
189.03920	1.2
189.05443	0.2
191.06992	0.9
197.06039	0.3
203.07016	0.3
211.07494	0.2
215.07039	0.9
231.05013	0.7
239.07051	0.9
253.08580	0.9
255.10091	10.0
257.08105	0.8
267.10153	0.3
279.10028	1.3
284.42590	0.2
297.11157	2.8
305.24710	0.2
321.11154	1.4
323.22073	0.2
345.11182	0.6
363.12299	1.3
502.30542	0.9
503.31375	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	502.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82949	2.4
55.05500	5.2
57.03426	20.6
57.07067	41.2
59.04991	3.4
65.77930	2.2
67.05495	100.0
67.14852	2.5
68.59575	2.3
69.07056	5.3
71.08613	27.3
71.35232	3.5
79.05466	3.1
81.07036	21.8
83.08602	13.6
83.97587	3.2
85.06490	2.7
85.10159	11.1
91.05446	5.3
95.08591	20.3
97.10183	3.3
99.39977	2.5
103.52512	3.6
107.08553	3.4
109.10143	89.8
109.10853	4.8
114.97023	2.5
122.32865	2.9
137.09698	3.5
173.11729	17.0
229.14291	69.1
313.27341	61.0
467.37292	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	503.1517
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	1.7
55.28968	0.7
59.04984	1.1
67.05514	1.3
69.07035	0.9
70.06586	0.8
71.04980	2.0
79.05473	3.5
81.07040	2.0
83.04955	1.3
85.02888	4.9
86.09704	1.2
90.43045	0.8
91.05472	1.3
92.08619	1.4
92.64039	0.9
93.07026	1.9
94.11927	0.8
95.08589	1.8
103.18804	0.8
105.07052	2.9
107.08607	1.5
109.10101	1.0
119.08504	1.4
121.10091	1.0
123.04430	0.8
125.09554	0.9
131.22719	0.9
133.10138	1.9
135.08078	0.8
137.09621	1.2
151.11172	1.0
162.02911	1.0
175.00060	4.1
190.02333	51.3
191.03114	43.9
287.05414	1.4
323.09247	3.6
335.09537	1.7
341.09781	2.0
345.04272	3.4
353.04901	1.0
353.08344	74.7
503.15121	100.0
504.15320	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.264
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.81594	1.3
55.01863	1.5
55.05489	5.1
57.03408	1.8
59.04983	1.1
61.02912	1.6
67.05480	5.0
69.03414	7.9
69.07045	5.7
71.04970	1.6
79.05467	6.5
81.03393	7.6
81.07038	33.1
83.04951	1.2
83.08563	1.4
85.02882	15.9
87.00812	7.8
91.05457	9.3
92.09360	1.6
93.07004	14.8
95.04925	1.1
95.08570	8.4
97.02859	8.1
97.06528	0.9
97.76442	0.9
99.04412	1.7
100.11238	3.3
103.05405	1.0
103.58122	1.0
105.01852	9.1
105.07009	100.0
107.08588	9.6
109.02869	7.4
109.10135	4.2
111.04380	0.9
117.06985	1.9
119.08549	23.2
121.10089	4.7
123.04437	1.9
127.03899	12.7
130.07755	1.2
131.08534	5.7
133.10098	19.2
143.08559	1.4
145.04945	4.5
145.10107	20.2
146.10852	1.0
147.04405	1.0
147.11568	1.1
157.10109	1.5
158.10735	1.1
159.02811	4.1
159.11659	11.1
161.13217	92.8
173.13237	6.5
173.34270	1.0
179.06953	2.0
179.14420	1.1
179.86510	0.8
182.15320	1.5
201.16324	26.9
219.17455	1.7
231.04922	4.9
249.05943	5.4
249.37193	1.0
455.49237	1.1
467.22226	1.3
508.91113	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	502.2642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09406	0.8
50.97226	0.7
50.98254	0.7
51.43767	0.7
52.70242	0.9
53.03921	4.4
55.01849	4.1
55.05494	9.6
56.21085	1.0
57.03417	3.9
57.07058	2.2
61.02890	1.3
67.05488	27.2
68.99771	1.0
69.03416	8.8
69.07050	27.5
71.04971	1.9
73.02878	4.2
79.05469	30.1
81.03401	9.7
81.07033	40.6
83.08619	7.5
85.02895	21.7
86.20970	0.8
87.00787	8.0
91.05456	51.6
92.08723	1.8
93.07014	46.7
95.04945	5.1
95.08575	43.1
97.02864	9.6
97.06497	4.3
97.10143	1.3
99.04416	4.0
103.05472	1.3
105.01823	6.3
105.07008	86.0
107.04897	1.2
107.07865	1.8
107.08572	47.7
109.02855	9.7
109.06493	3.7
109.10133	37.1
113.91679	1.0
115.05432	1.2
117.01785	1.0
117.06241	1.1
117.06999	25.2
119.08552	34.3
121.06438	8.5
121.10108	29.2
121.68228	0.9
122.94196	1.0
123.08021	1.4
123.11703	9.0
127.03883	13.1
129.06956	1.9
130.07765	3.8
131.08545	40.0
133.10094	19.3
135.08025	19.1
135.11662	100.0
143.08603	2.7
144.09297	2.0
145.04929	5.9
145.10097	52.5
147.11626	7.6
149.09601	4.0
149.13217	9.2
155.08450	1.2
157.10133	2.0
159.02829	7.0
159.11668	29.4
161.09496	1.4
161.13235	3.7
163.11150	13.8
171.11554	1.6
173.13200	9.4
175.14775	3.7
177.12718	1.6
187.14771	4.6
189.16339	7.7
191.17886	39.1
199.14850	1.5
201.16345	36.8
213.04025	1.0
219.17389	55.4
231.04901	2.2
287.19897	1.4
323.21985	1.4
340.69690	1.0
365.07773	1.0
404.47446	1.2
431.31778	1.2
439.63394	1.1
449.21545	1.3
467.22510	1.2
501.30124	4.4
502.30264	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	501.3039
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.8
62.87972	0.9
67.05488	5.7
69.03413	1.5
69.07055	7.0
70.48209	0.8
71.04968	1.2
79.05465	2.1
81.03431	1.3
81.07042	14.9
83.04980	1.2
85.02898	2.1
91.05474	3.8
93.07031	8.3
95.04967	1.3
95.08601	7.8
97.06518	3.5
97.10175	1.3
105.07030	7.0
107.08567	9.2
109.06515	1.5
109.10142	9.8
119.08607	8.0
121.10146	6.1
123.08092	1.5
123.11701	4.0
125.09691	1.2
131.08572	1.5
133.10133	5.0
135.11665	1.7
137.05966	2.0
137.09616	1.6
137.13208	1.0
143.08473	1.5
145.02829	0.9
145.10095	2.1
147.11671	3.5
149.09569	1.0
149.13304	1.2
155.14937	1.0
157.10046	1.0
159.11682	1.7
161.13271	1.3
163.03876	2.1
164.04167	3.4
173.13252	2.1
175.11189	1.0
196.52644	0.9
203.14302	0.9
259.09897	0.9
269.98358	1.0
279.19565	1.0
303.23184	1.6
321.24295	2.2
447.31003	1.4
501.30313	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99149	1.6
81.07054	3.1
92.08570	3.7
95.08582	2.8
107.98490	1.8
125.41451	1.8
201.81683	1.8
371.11377	1.9
458.33893	5.3
501.35480	100.0
501.42535	4.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31673	1.0
55.05502	1.5
56.41435	1.1
57.07055	1.5
59.42842	1.1
67.05473	2.1
71.01595	1.2
79.05500	1.2
79.50159	1.1
84.50356	1.4
105.07026	1.4
107.08645	1.5
108.86821	1.1
112.51658	1.2
119.08537	1.2
121.10098	1.6
248.44104	1.3
297.09598	1.3
316.93921	1.3
321.28351	1.4
326.80753	1.4
339.37256	1.3
395.13452	1.7
457.36673	10.8
501.35437	100.0
519.70471	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.3216
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.9
55.01855	3.1
55.05503	44.5
55.96887	1.3
57.03421	45.4
59.04995	1.7
62.12630	1.4
65.03908	1.8
65.76890	1.8
67.05488	89.2
69.03436	6.0
69.07050	30.5
71.01326	4.0
71.04955	12.4
79.05470	88.0
81.03394	86.0
81.07034	61.6
83.04963	38.4
83.08601	24.8
84.23331	1.6
85.02431	2.4
85.02892	32.2
85.06516	8.9
85.09769	1.6
91.05457	66.5
93.07015	93.7
93.37089	1.7
95.04938	43.5
95.08571	23.2
97.06496	21.0
97.10118	21.3
99.08022	2.5
105.06994	40.0
107.04919	11.7
107.08570	57.0
109.06494	10.1
109.10114	9.5
111.08031	12.6
113.06000	1.9
117.06963	14.1
119.08556	34.7
121.06435	2.4
121.10097	18.1
123.08007	4.0
125.09602	2.8
128.06047	2.1
129.06987	13.3
131.08530	17.1
133.06473	3.0
133.10109	16.5
135.11673	65.1
137.09546	6.5
142.07738	2.1
145.10094	12.7
147.11690	14.3
149.09601	7.1
157.10085	15.4
163.11148	8.0
175.09843	1.6
175.11119	16.9
181.12186	11.6
188.47774	1.8
193.12209	39.3
211.13237	48.4
255.15836	100.0
260.79712	1.7
261.32153	2.0
267.15671	15.7
285.16907	36.6
311.07086	2.0
315.91391	1.9
447.27258	27.7
465.28336	88.3
500.30493	3.9
529.37964	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	501.123
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
55.01860	2.0
57.03415	1.6
61.02903	1.6
61.79712	0.3
67.05500	0.4
69.03418	4.5
69.07064	0.4
70.06576	0.6
71.04967	0.6
72.08131	0.5
81.03395	2.0
81.07038	0.5
85.02891	12.4
89.03876	0.4
91.05455	1.5
95.08588	0.6
97.02866	3.9
103.05474	0.6
107.04934	2.0
109.02836	1.5
113.09566	0.4
115.05452	0.4
117.06996	0.6
119.04886	0.5
121.02798	1.3
123.04385	5.3
127.03902	2.0
131.04909	3.5
131.08559	0.5
135.04391	3.5
137.05945	0.6
139.03905	3.1
141.09059	0.6
145.02812	1.5
145.04866	0.8
145.06451	0.5
147.04382	20.5
149.01157	0.4
149.02309	8.8
149.05922	2.7
151.03903	0.7
153.01834	0.6
157.06458	0.5
159.04385	2.8
161.05954	3.4
163.03882	11.5
165.05457	0.5
169.10039	0.7
173.05960	1.4
175.03871	4.0
177.01797	6.5
177.05429	4.7
185.05867	0.5
186.06714	0.8
187.03842	4.8
187.07437	0.6
187.11205	0.5
189.05412	2.6
189.09029	1.7
191.03413	0.7
193.04921	0.8
195.02879	1.4
197.09605	0.7
201.05396	0.7
203.03360	100.0
205.04930	7.8
213.05429	1.7
215.03351	8.1
215.10651	2.3
219.02905	2.3
221.04416	0.5
229.04892	3.2
231.02832	14.7
233.04395	5.0
233.11786	0.7
247.05994	0.6
250.14326	4.9
257.04352	0.5
261.03900	7.4
275.05728	0.5
279.04944	14.5
291.04929	12.3
303.04865	0.6
303.13120	0.4
321.06039	3.4
321.09344	0.4
339.06995	5.9
466.48727	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	501.3035
Annotation	Tricalysioside T
Peak:m/z	Relative Intensity
54.79049	0.6
54.81437	0.6
55.05494	1.3
57.03423	0.8
62.47396	0.6
67.05492	3.7
68.43132	0.6
69.03399	1.7
69.07049	3.6
71.04976	1.0
71.58516	0.7
79.05476	3.1
81.07030	8.5
83.04959	1.1
85.02877	3.2
91.05463	1.7
93.07030	4.7
95.04947	1.1
95.08575	6.7
97.06493	1.3
105.07026	5.4
107.08583	5.8
109.06509	1.0
109.10155	4.1
119.08568	4.9
121.06490	1.3
121.10122	3.9
123.11716	1.8
125.09545	0.8
131.08525	1.3
133.10127	3.5
135.08006	0.9
135.11685	1.2
137.05899	1.0
139.03906	1.5
143.08534	1.1
145.10048	5.6
146.10509	1.0
147.11678	1.8
149.13185	1.3
153.05435	1.0
157.10175	0.9
159.11662	1.6
163.11208	0.9
169.10095	1.0
171.11571	0.9
173.13210	1.8
175.11159	1.1
177.05441	0.9
177.12794	0.9
187.14772	1.1
199.14868	1.0
258.19461	0.9
296.28625	0.7
303.19702	1.1
304.19748	1.0
305.96698	0.7
321.20694	0.9
321.24176	2.6
322.21097	1.0
339.25201	1.4
447.30209	0.9
463.60580	0.8
501.30243	100.0
522.59119	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2977
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43990	0.9
55.05506	37.9
57.03432	16.0
57.07066	20.5
59.04980	1.7
66.18940	1.2
67.05488	6.5
69.07053	42.9
71.08623	10.4
79.05471	2.7
79.64655	1.2
81.01822	1.3
81.07049	9.7
83.08604	39.2
85.10149	2.6
91.07323	1.1
92.22584	1.2
93.07030	5.1
95.08582	6.6
97.06478	1.9
97.10141	25.6
98.98443	11.9
105.07006	1.5
107.08562	2.0
109.10134	1.6
111.08060	1.4
111.11705	5.3
121.10122	4.7
135.11700	4.6
137.13170	1.2
155.01027	1.6
211.93312	1.4
255.99890	1.2
311.25739	100.0
447.25101	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	500.2128
Annotation	Unknow
Peak:m/z	Relative Intensity
63.03040	0.2
63.36662	0.2
69.03406	0.2
72.02376	0.2
77.11117	0.2
81.03411	0.3
85.02882	1.5
85.33895	0.2
91.05471	0.3
91.52528	0.2
94.04167	0.4
96.90917	0.3
97.02863	0.5
101.16679	0.2
103.06812	0.2
107.04926	0.3
113.64431	0.3
122.03639	3.9
123.04415	0.3
132.26834	0.3
135.04413	0.4
137.05957	100.0
138.06305	0.4
147.04382	0.5
149.05972	0.3
151.07477	0.4
153.06960	0.4
158.59811	0.3
179.07011	0.6
181.06488	1.9
213.09129	1.1
241.08586	1.5
253.08441	0.5
273.11185	2.5
285.11179	1.4
303.12302	1.5
454.64999	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	500.2611
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.3
55.05491	0.6
56.05019	0.4
57.03415	0.4
58.06576	0.3
60.07863	0.3
60.08151	7.2
64.44505	0.2
67.05489	1.8
69.03394	0.5
69.07040	1.3
71.01322	0.2
71.04978	1.9
71.07353	3.1
72.08134	0.3
79.05466	1.1
81.03388	0.5
81.07038	5.6
82.07358	1.6
83.04961	0.5
84.08108	0.4
85.02896	2.0
86.09692	43.4
91.05445	1.4
92.09268	0.3
93.07021	1.1
95.04923	0.5
95.08591	2.7
96.08926	0.3
97.02867	0.2
97.06484	1.8
98.98436	2.6
104.10722	4.5
105.07008	0.6
107.08585	0.4
109.10150	0.5
119.08554	1.0
120.08101	0.3
120.34160	0.2
121.10103	0.4
123.04390	0.3
123.11665	0.5
124.99981	29.6
129.05420	0.6
129.06985	0.4
131.08585	0.3
133.10097	0.4
137.13214	0.4
138.13557	0.3
143.01003	0.3
147.06519	0.2
147.11667	1.9
149.09544	0.3
157.10081	0.4
160.05214	0.4
161.05928	2.2
163.03885	2.6
165.12724	0.4
169.58260	0.2
173.05859	0.4
175.03967	0.3
181.04942	1.4
182.15419	0.3
184.07307	100.0
189.09096	1.8
193.12303	0.3
195.08008	0.4
197.06018	0.2
213.08945	0.3
215.07025	1.8
217.08522	0.5
229.14218	1.0
229.38483	0.3
231.10182	0.3
259.09604	3.0
267.15878	1.2
267.19165	0.3
285.16922	1.3
359.45599	0.2
432.21249	1.4
450.22357	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	500.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
53.22555	1.0
55.01834	1.2
55.05497	1.8
57.03422	2.7
61.02901	5.3
65.03927	1.5
67.05485	2.4
68.99774	2.7
69.03415	13.0
70.06567	6.7
71.04959	2.5
72.08121	1.6
81.03391	5.9
81.07015	6.4
83.04982	1.5
85.02887	26.2
86.09705	2.0
91.05474	1.6
93.07001	1.4
95.04900	1.4
95.08579	2.6
96.75024	1.1
97.02887	8.9
98.56781	1.3
99.04402	1.7
107.04948	1.5
107.08602	1.3
109.02858	7.3
111.00759	1.7
111.04444	10.9
117.03306	1.2
119.04984	1.2
119.08567	1.2
120.08063	1.7
121.02838	7.9
123.04398	2.8
123.07982	1.4
127.03891	12.1
133.06474	1.3
135.04395	1.4
135.11703	2.2
137.05899	4.1
139.03870	40.0
141.09105	5.0
145.04926	1.6
147.04356	1.8
149.02309	61.4
150.03069	8.1
151.03842	4.9
153.01796	100.0
155.03349	7.2
155.04660	1.3
159.10184	1.9
161.05959	1.4
163.03851	6.4
167.03354	13.9
173.06050	2.0
177.01868	1.5
183.04414	2.8
191.03264	1.9
195.02855	16.3
201.05473	10.7
219.02861	7.9
229.04892	25.7
247.05930	39.1
257.04373	9.4
274.04694	2.4
275.05420	49.7
275.08066	1.7
303.05011	17.4
321.05954	92.6
435.36691	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04602	1.1
52.01196	1.0
53.52253	1.0
69.07072	1.1
81.07055	1.7
95.08588	2.2
101.56735	1.2
105.07048	1.4
109.29997	1.4
123.16058	1.3
130.94000	1.5
163.56517	1.2
197.90230	1.2
240.99135	1.2
280.93060	1.3
308.39740	1.4
350.00986	1.3
499.33878	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81676	0.4
56.58819	0.3
69.03400	0.8
74.53929	0.3
82.40139	0.3
83.78182	0.3
84.08111	0.3
84.80493	0.3
85.02879	2.0
86.09698	0.6
86.87037	0.4
95.73489	0.3
97.02861	0.6
98.97557	0.6
106.06565	1.5
115.05449	1.6
117.05674	0.5
123.62460	0.3
127.51280	0.3
130.06493	2.0
131.04900	0.6
132.04410	0.7
132.08040	2.9
133.05205	0.6
134.05989	24.2
137.06152	0.4
142.55461	0.3
146.05992	3.3
148.07518	4.0
157.04892	0.6
157.07541	1.4
158.05986	8.2
159.06792	3.5
160.03894	0.8
160.07545	18.5
162.05466	85.9
163.05783	1.4
168.64369	0.3
171.05467	0.8
174.09116	1.6
175.08621	6.3
176.06931	0.5
184.07561	0.7
186.05492	7.4
203.08156	0.5
204.06520	100.0
205.06786	2.2
217.06067	0.4
221.09158	25.5
222.09473	0.7
234.98970	0.8
235.07059	0.4
247.10649	0.4
499.19586	0.4
513.72595	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.2147
Annotation	Conivaptan
Peak:m/z	Relative Intensity
54.81620	1.0
55.05510	2.4
57.03422	1.0
57.07048	1.1
67.05489	6.1
69.03413	2.0
69.07048	4.9
71.04966	5.3
79.05473	5.5
81.07040	11.3
83.04985	1.5
83.08638	1.4
85.02887	6.2
86.83180	1.0
91.05473	4.9
93.07018	6.7
95.04940	2.5
95.08575	8.5
97.06517	4.9
98.97552	2.4
99.04414	1.3
105.07008	5.5
107.04884	1.7
107.08601	2.4
109.10146	8.3
119.08587	2.6
121.10104	1.2
123.04370	2.3
123.08092	1.4
123.11696	1.8
125.05943	1.2
131.08546	1.9
133.10104	2.5
133.98161	1.1
134.93607	1.3
135.11688	1.6
137.05954	4.6
145.10144	2.2
147.11668	1.4
161.13300	1.4
165.09097	1.7
167.07039	1.2
169.10107	2.6
172.91779	1.2
173.13261	1.2
177.00804	1.1
185.04199	1.4
187.07581	1.5
201.09019	1.5
205.08580	2.1
231.09991	1.4
301.14343	5.9
302.14606	2.0
331.09955	35.4
499.21439	100.0
499.27957	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	498.3999
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16209	1.6
55.05487	3.3
55.49061	1.3
57.07068	55.2
67.05484	3.2
69.07046	4.1
69.15549	1.5
71.08607	28.1
72.46924	1.5
72.71614	1.5
73.06522	6.7
77.28688	1.8
79.05485	3.1
79.62947	1.7
81.07027	4.0
83.08595	2.5
85.10159	19.9
87.04447	3.1
89.06013	100.0
91.05452	2.5
93.07024	7.1
95.08578	8.1
99.11667	1.7
105.07012	3.7
107.07045	2.6
107.08572	4.1
117.09145	2.7
121.10086	3.0
122.79265	2.1
129.53152	1.6
133.08586	31.8
154.36922	1.7
177.11128	15.3
199.20578	2.7
221.13893	1.9
243.23222	7.1
287.25681	7.3
327.20074	10.8
408.16541	1.8
481.37231	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	499.1139
Annotation	Unknow
Peak:m/z	Relative Intensity
54.21055	1.2
55.43147	1.1
56.96557	3.4
57.03435	1.6
59.53020	1.2
69.03406	7.6
70.06584	2.7
71.04971	1.8
72.08119	1.7
73.02908	1.5
74.06051	2.2
81.03414	1.9
84.04473	1.4
84.08127	2.2
85.02886	15.8
86.06084	1.5
87.51691	1.5
92.08695	2.5
97.02870	7.8
98.97585	7.2
100.99157	1.5
101.00861	16.1
103.02435	7.0
105.00307	1.5
107.78306	1.4
109.02850	1.7
110.53181	1.3
112.03941	2.8
113.00844	5.1
116.98604	3.4
119.01892	57.5
121.03455	2.6
127.02411	11.4
127.03859	2.8
128.98615	2.2
129.03908	1.9
130.08646	2.0
131.01871	31.0
131.02765	2.0
133.03436	3.0
137.02940	6.7
139.02261	1.4
143.00261	1.6
143.00664	1.6
143.01855	31.0
145.03435	89.3
146.99561	1.6
147.01357	6.8
147.04996	2.7
149.01137	2.1
149.02924	8.3
155.01854	41.0
157.03447	34.2
158.99614	1.5
159.04976	2.7
160.07513	1.6
161.01376	1.9
161.02924	44.7
162.05446	2.0
163.02792	1.6
163.04483	12.2
167.01859	13.7
167.06950	1.8
169.03442	7.0
170.99649	2.3
171.01344	8.2
171.04984	7.1
173.02925	84.2
175.04482	11.8
176.05486	2.6
179.01927	2.8
181.03416	2.2
181.05537	3.2
183.04999	2.0
185.02913	80.5
187.04475	12.0
189.00850	2.5
189.02396	16.0
191.04002	5.4
197.02885	29.7
198.63031	1.6
199.00932	1.8
199.04462	2.6
201.02466	5.2
203.03960	21.8
204.06575	8.4
205.05528	7.5
208.99608	2.5
209.02928	3.2
211.04489	2.6
215.03989	15.9
217.01906	60.2
217.05498	9.3
219.01660	2.7
221.03212	1.6
221.05052	9.3
227.03960	16.4
229.01878	11.1
235.02953	23.9
237.02736	8.3
239.04184	1.8
241.01852	1.9
241.05540	2.3
245.04990	100.0
247.02910	8.9
247.06688	2.2
257.04883	15.7
263.05991	16.2
269.05328	1.7
275.06052	10.5
277.03992	13.9
279.04071	1.4
293.07010	2.5
301.03973	8.9
305.07159	8.2
307.08655	14.1
319.04932	17.8
321.10211	2.8
335.08124	1.8
337.06064	25.9
365.00070	2.1
365.09335	12.8
499.11212	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	499.1749
Annotation	Artonol D
Peak:m/z	Relative Intensity
52.04686	1.2
53.03928	1.5
53.60900	1.0
55.01857	5.5
55.05494	5.0
57.03426	1.5
63.08678	0.9
65.03877	1.0
67.05495	12.3
69.03388	1.9
69.07040	6.9
71.04990	1.8
75.19470	1.0
79.05473	8.2
81.03394	1.2
81.07037	17.8
83.01324	5.4
83.04947	6.2
83.08582	1.0
85.02885	1.9
85.06509	1.6
91.05464	13.3
92.08601	2.2
92.80684	1.2
93.07016	14.7
95.04945	12.9
95.08612	10.4
97.06528	8.7
98.97546	1.2
103.05459	1.2
103.29874	1.2
105.03358	1.8
105.04521	1.1
105.06986	8.2
107.04936	100.0
107.08580	8.8
109.06480	4.4
109.10115	6.9
111.04433	1.6
111.08035	2.0
111.61523	1.0
119.04913	4.8
119.08580	4.7
121.06477	10.6
121.10098	6.5
123.04412	25.6
123.08090	1.6
123.11647	2.3
125.05950	6.2
125.06874	1.3
127.03899	2.6
127.14484	1.0
131.04933	1.9
131.08559	5.1
133.06424	1.8
133.10129	2.5
135.08034	2.1
135.11639	2.4
135.73903	1.3
137.02316	15.0
137.03299	1.5
137.05957	27.9
137.13264	1.5
139.03902	2.7
141.05435	9.4
141.07011	4.2
143.08473	1.9
145.06502	1.7
145.10129	2.3
147.04370	7.9
147.11612	1.5
149.05945	1.7
149.09578	6.5
149.13266	1.5
151.03882	27.8
151.07509	2.7
151.11099	1.3
152.06172	1.9
153.05434	6.7
153.06793	8.1
155.08563	10.7
159.08023	2.7
159.11620	1.3
161.05965	2.5
161.13248	1.6
163.11006	1.4
165.06972	16.9
165.09157	2.3
167.08496	1.9
168.05663	5.9
169.06444	7.5
173.05954	1.8
173.09555	1.7
174.06790	1.6
175.07497	2.6
177.05391	1.3
177.34796	1.0
179.08540	1.5
181.06448	4.7
182.07201	1.4
183.08014	18.9
185.05949	1.4
185.09557	1.6
185.39066	1.1
187.07483	6.7
193.06474	1.8
193.08621	1.3
195.08060	13.5
197.05965	10.4
197.13263	1.4
198.06676	4.5
199.07530	9.4
201.09015	4.5
201.12648	1.3
202.09302	1.4
205.08591	2.4
207.08188	1.3
210.06615	1.4
211.07504	32.6
212.08243	7.7
213.05402	2.6
213.09103	13.6
214.06206	12.3
215.07005	17.3
223.07443	4.5
225.09026	5.3
226.06186	2.6
227.07010	7.6
229.08556	25.3
235.07588	1.5
237.09085	1.2
239.06958	18.6
240.07822	4.8
241.08551	15.2
242.05753	8.1
242.09346	11.0
243.10031	1.6
245.08018	27.7
253.08521	2.2
255.06526	2.3
257.08005	30.2
258.08813	18.4
265.08490	1.5
268.07269	2.2
269.08008	27.7
281.07959	6.3
282.08713	1.8
283.09583	18.3
295.09528	2.6
301.14288	4.6
301.17590	1.3
302.14545	4.8
319.15518	1.8
319.19162	1.6
337.55753	1.2
342.08807	1.8
347.08804	1.3
362.11337	1.8
375.12000	5.2
377.14044	2.0
389.13818	12.2
391.11365	1.4
393.13464	9.8
405.13281	8.1
427.28448	4.6
445.29248	6.2
463.30591	1.3
479.92874	1.2
481.16101	1.5
499.17380	17.6
499.28247	5.0
508.46396	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14450	0.5
53.00288	1.3
53.03924	0.8
54.81576	0.6
55.01852	2.4
55.05500	4.6
57.03427	12.5
57.07060	1.0
58.68554	0.5
59.04979	3.8
61.02906	2.5
67.05486	7.1
69.03405	6.6
69.07056	9.2
71.01324	0.9
71.04971	65.2
71.08611	62.1
71.32560	0.5
73.02895	3.1
75.04450	3.7
76.88766	0.6
79.05479	2.6
81.03393	1.3
81.07029	10.3
83.04951	11.1
83.08591	2.2
85.02885	73.6
85.06551	0.7
85.08816	0.5
86.93509	0.6
87.04469	2.1
91.05456	6.5
93.07011	4.9
95.04940	2.4
95.08587	7.8
97.02864	10.9
97.06508	4.3
98.97589	0.6
99.04426	3.1
99.08067	100.0
103.05424	0.6
105.07004	8.0
107.04931	0.7
107.08571	8.7
109.02863	0.7
109.06504	2.5
109.10146	5.0
111.04417	5.5
111.07999	0.7
117.06987	1.3
119.08541	17.4
121.06478	1.2
121.10110	3.7
123.04369	0.7
123.08043	4.2
124.07507	0.9
127.03880	2.6
127.07533	0.7
129.05464	13.6
129.06978	1.2
129.12723	11.5
131.08569	4.6
133.06468	1.1
133.10094	11.1
133.11029	0.8
135.08023	3.1
137.05966	2.5
137.09584	36.2
141.07034	0.9
142.07718	2.2
143.08560	4.6
144.09329	1.0
145.10098	16.1
147.04456	0.5
147.06508	7.1
147.08028	5.0
147.11711	5.7
149.09618	2.5
151.07608	0.7
155.08482	2.4
155.14272	3.2
156.09294	3.3
157.10117	7.7
159.08058	1.3
159.11691	5.6
160.12395	0.7
161.09598	6.9
161.13231	7.8
163.11075	1.0
165.06953	0.8
165.09065	2.5
169.10133	2.8
170.10901	2.6
171.07959	1.2
171.11650	12.8
172.08821	1.3
173.09616	2.9
173.15326	50.7
174.05426	0.7
174.10420	0.7
175.07434	1.0
175.11153	1.2
175.14789	2.2
177.09061	1.2
181.10051	1.2
182.10883	1.0
183.11697	1.4
184.12436	0.7
185.09589	3.2
185.13214	6.6
186.13988	4.6
187.11133	4.2
189.09074	0.9
189.12695	9.4
194.10907	0.7
195.11688	3.4
197.09598	1.3
197.13199	2.9
198.10426	2.2
199.11133	7.2
199.14897	2.1
201.12715	2.5
203.14247	10.3
204.15041	4.6
207.11664	0.9
209.13171	1.4
210.10405	0.6
211.11153	2.2
213.12733	4.1
213.16386	2.1
217.12024	0.5
222.14047	0.7
223.11043	1.0
223.14720	1.0
225.07408	0.7
225.12659	2.8
226.13492	0.8
227.10789	1.1
227.14308	1.3
232.12659	0.8
237.16359	1.3
241.12256	2.3
241.15829	1.3
250.13530	1.0
255.17403	5.5
265.15836	3.7
269.17365	1.2
273.18259	0.7
283.16849	12.7
301.14450	0.9
301.17883	23.5
309.11829	1.3
341.11160	1.1
385.04144	0.6
387.85678	0.6
393.82327	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2697
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07917	1.5
53.03933	1.6
55.01867	3.6
55.05505	4.4
56.23511	1.5
57.03416	11.3
57.07077	1.7
58.66003	1.6
59.04994	1.9
61.02926	2.5
67.05492	16.4
69.03418	20.5
69.07052	11.6
70.28876	1.5
71.04975	58.0
71.08613	55.3
75.04451	3.4
79.05469	8.9
81.03403	3.6
81.07043	17.8
83.04960	19.7
83.08596	2.6
85.02886	77.8
87.04451	2.0
91.05489	15.4
93.07027	12.1
95.04943	4.4
95.08576	23.6
97.02873	24.5
97.06515	14.3
99.04427	2.6
99.08074	80.0
103.56693	1.6
104.80544	1.7
105.07022	23.8
107.04852	2.3
107.08571	24.8
109.06495	3.7
109.10154	14.4
111.04440	7.6
111.08072	3.1
117.06947	6.1
119.08544	52.9
121.06522	7.5
121.10137	4.4
122.39912	2.1
123.04405	1.8
123.08063	7.5
127.03928	3.4
129.05441	13.4
129.07010	4.4
129.12724	10.6
131.08545	13.9
133.10092	31.4
135.08041	12.4
135.11655	2.2
137.05948	2.2
137.09587	100.0
142.07805	2.4
143.08539	20.7
144.09344	1.9
145.10114	45.6
147.06517	3.8
147.08084	14.8
147.11705	13.1
149.09637	8.5
155.08548	9.7
155.14308	2.3
156.09314	11.2
157.10109	18.3
159.08029	10.2
159.11694	15.5
161.09534	14.7
161.13228	19.6
163.11136	2.5
165.07111	1.8
169.10107	8.1
170.10802	3.7
171.11638	28.5
172.69031	1.9
173.09618	8.9
173.13258	6.5
173.15326	37.2
174.10219	1.8
175.11151	7.1
175.14799	7.8
181.10136	8.7
182.10999	4.4
183.11687	8.9
184.12350	2.4
185.09586	10.9
185.13210	20.8
186.14008	12.3
187.11165	11.0
189.09111	2.9
189.12689	27.1
195.11700	7.3
197.09688	2.9
197.13248	4.2
198.10390	2.7
199.11147	18.1
199.14848	2.4
201.12708	7.3
203.10522	2.4
203.14301	36.4
204.15060	17.5
207.11664	2.9
209.09518	2.5
211.11223	2.9
211.15060	1.9
212.11952	2.2
213.12708	20.7
213.16367	3.6
215.14317	1.9
223.11032	2.6
225.12744	7.8
227.10649	2.7
227.14297	4.3
237.16357	8.2
239.17815	2.3
241.15750	8.0
250.13521	4.6
255.17444	12.8
261.40079	2.3
265.15826	13.1
281.30945	2.3
283.16873	37.9
301.14453	2.8
301.17905	81.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.3
55.01856	9.6
55.05502	30.8
57.03428	19.9
57.07058	7.5
60.02555	1.3
61.02925	10.7
67.05151	1.9
67.05492	33.1
69.03401	7.3
69.07051	19.9
71.04971	11.4
73.02891	7.9
79.05478	23.5
81.03392	23.2
81.07037	52.2
82.04163	10.4
82.07371	2.0
83.04958	12.2
83.08600	13.3
84.02122	3.1
85.02882	21.6
85.06515	7.2
85.86897	1.4
91.05452	18.8
93.07022	26.1
95.04957	21.7
95.08573	29.8
96.05787	1.6
97.02866	8.1
97.06501	8.5
97.10136	24.7
98.07270	11.7
105.07010	16.4
107.04917	5.8
107.08569	18.7
108.08846	1.6
109.06489	6.7
109.10125	18.3
110.10465	2.9
111.04454	2.0
111.08072	7.7
116.04677	9.9
117.06973	3.6
119.08552	9.3
121.10098	10.8
123.08025	9.8
123.11676	11.4
124.12054	1.7
125.09592	19.3
127.03893	1.8
129.05435	26.7
131.08545	2.9
133.10118	12.8
135.08020	5.6
135.11658	8.5
136.08888	1.5
136.75215	1.4
137.05951	2.5
137.09573	2.0
139.03886	1.5
143.06998	9.3
145.10103	3.5
147.11650	8.0
149.09619	5.8
149.13226	3.3
151.07578	1.9
153.05516	2.0
153.09081	1.7
155.14305	2.4
157.08578	15.9
157.09979	3.8
157.12199	2.7
163.11136	2.8
163.14911	1.5
165.12709	2.1
171.10129	6.0
175.11096	3.0
185.98567	1.7
189.11171	10.6
193.12199	9.5
199.13176	1.9
200.14124	2.9
200.40088	1.6
211.13040	1.5
227.12759	31.8
245.22539	2.0
263.23630	3.0
267.15897	19.9
281.24597	12.7
282.25027	7.0
283.15378	1.6
284.16086	3.2
285.16949	1.6
301.16403	100.0
317.26697	2.2
372.39642	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07798	0.3
53.03922	1.4
54.81784	0.4
55.01628	0.6
55.01864	9.7
55.05232	0.6
55.05501	17.1
57.03143	0.6
57.03424	16.1
57.07062	0.8
59.04966	0.5
61.02914	6.4
65.03903	0.7
67.05144	0.7
67.05489	18.7
68.05852	0.4
68.06243	0.4
69.03411	4.4
69.07053	7.2
70.04169	0.4
70.06537	0.3
71.01331	0.5
71.04971	3.5
73.02895	6.2
79.05468	18.3
80.06255	0.6
81.03395	14.8
81.07035	14.9
82.04182	6.0
83.01322	0.7
83.04957	8.6
83.08118	0.4
83.08596	8.4
84.02093	1.8
84.05727	1.5
85.02885	10.3
85.06532	0.8
87.04445	0.6
91.03921	2.1
91.05455	12.6
93.07015	12.8
94.04144	0.6
94.07819	0.6
95.04945	15.3
95.08576	8.5
96.05740	0.4
97.02866	7.5
97.06497	5.2
97.10139	12.9
98.07287	7.6
99.04422	0.8
101.06001	0.6
103.05438	2.3
105.07008	6.9
107.04913	3.5
107.07872	0.4
107.08572	10.5
109.02892	0.4
109.06500	3.1
109.10136	5.3
111.04415	1.7
111.08041	3.2
113.06000	0.7
113.09653	0.6
115.05434	0.6
115.52190	0.3
116.04681	15.1
117.06974	2.7
119.08553	5.3
121.06509	2.6
121.10110	3.6
122.10825	0.3
123.04394	16.2
123.08049	6.0
123.11684	1.3
125.09595	15.4
126.10351	0.5
127.03886	1.3
129.05446	37.8
129.06837	2.8
131.04880	6.7
131.08527	2.9
133.06499	0.4
133.10078	4.7
135.08040	2.5
135.11646	4.1
136.08789	0.7
137.05908	1.4
137.09596	2.5
137.13237	0.6
139.07475	0.5
143.07013	7.6
145.04874	0.5
145.10036	2.5
147.08012	1.6
147.11646	4.2
149.05951	32.8
149.09566	1.5
150.05444	0.8
151.05791	0.5
151.07574	0.5
153.09088	1.6
153.12721	0.5
155.06850	0.4
157.08571	15.6
157.10060	3.5
159.19986	0.4
161.05887	0.6
163.07417	0.4
163.11134	2.4
164.11967	0.6
165.12686	1.4
166.05016	0.5
166.09877	0.4
169.04951	4.5
171.10118	6.9
175.11137	3.1
177.05402	3.8
185.08142	0.4
185.11646	2.2
189.11183	11.9
193.12231	3.7
199.13240	3.2
200.13974	3.8
209.11783	0.8
210.12509	1.5
211.13300	0.5
227.12732	34.1
233.22897	0.4
237.09120	0.3
255.10173	0.5
255.15849	0.7
267.15836	2.4
281.24738	1.5
282.25235	0.6
283.09558	2.0
283.15359	1.9
284.16098	0.9
285.16873	0.8
301.16382	100.0
302.16705	0.5
319.11618	3.6
335.12134	0.6
336.12622	0.8
463.21658	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13772	0.7
53.00293	1.7
53.03937	0.7
53.16267	0.6
55.01856	0.9
55.05470	1.1
57.03428	29.4
57.07058	2.0
59.04985	7.8
60.04497	0.9
61.02906	1.5
67.05485	8.2
67.22140	0.8
69.03413	84.8
69.06707	1.3
69.07051	24.4
70.56953	0.7
71.04969	2.0
73.02902	8.2
75.04451	3.8
76.74851	0.8
79.05456	3.8
81.03378	3.6
81.07034	20.4
83.04942	1.2
85.02885	57.7
87.03936	1.7
87.04449	46.6
91.03941	1.0
91.05434	1.8
93.06998	3.6
95.04945	6.9
95.08600	7.4
97.02868	72.9
97.06532	1.0
98.06036	0.8
99.04448	2.5
105.07001	3.2
107.04913	1.8
107.08571	7.4
109.02860	1.6
109.06502	1.4
109.10126	14.8
111.04433	1.3
111.08035	0.8
115.03901	53.9
119.08544	1.6
121.10127	4.9
123.04404	1.7
123.11680	100.0
124.70820	0.9
125.05950	1.2
127.03865	5.3
131.08528	1.2
133.04941	45.1
133.10098	1.1
135.11693	1.1
137.05952	1.2
145.04913	4.9
145.10114	1.0
147.11609	1.1
151.11153	28.4
153.01799	4.4
163.11194	1.6
167.06956	1.3
169.12196	20.4
173.09651	0.9
181.12157	1.3
187.05981	1.4
187.42499	0.8
191.10643	0.9
219.13771	1.6
247.13225	4.2
259.08176	1.6
265.14172	3.6
283.15350	15.1
295.10190	3.1
301.16443	9.5
313.16376	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24372	0.4
53.03927	0.5
55.01861	0.6
55.05497	0.7
55.55862	0.3
55.75431	0.4
67.05479	1.0
69.03399	0.6
73.42432	0.4
79.05465	3.2
81.07044	0.6
88.57473	0.4
91.05469	4.6
93.07003	1.0
95.04930	2.6
103.05412	0.8
105.03352	0.8
105.07000	0.7
107.04935	8.5
107.08546	0.5
109.06513	1.6
114.75787	0.4
116.90949	0.4
119.04887	0.9
121.06484	17.7
131.04875	3.2
133.02818	2.3
134.03621	0.4
135.04387	13.7
137.05949	11.7
139.07509	9.0
147.11620	0.5
149.07062	0.5
151.03928	3.9
151.07513	40.2
153.05449	11.2
159.08003	0.5
161.02275	1.0
161.05940	0.6
163.07489	0.8
165.05437	100.0
174.34103	0.5
176.58821	0.5
177.05473	0.4
179.06993	30.8
180.38370	0.4
193.04927	28.0
201.16422	0.4
217.13866	0.4
255.06393	3.5
270.08865	1.0
283.05988	3.4
285.11087	0.8
298.08331	4.8
299.08966	0.7
313.10638	12.2
331.11670	35.0
343.11731	10.4
423.18454	0.4
463.17514	0.6
481.18652	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.2177
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01875	0.4
57.03420	1.4
65.03920	0.3
69.03435	1.1
79.05464	1.5
81.03407	0.3
85.02895	3.1
85.97348	0.3
88.12310	0.3
89.03870	0.5
91.05463	2.9
93.07034	2.4
95.04945	0.8
97.02840	0.6
98.97574	0.6
103.05447	7.7
107.04923	3.5
109.06513	0.6
111.04420	0.6
117.03378	0.4
119.04916	0.6
120.08080	100.0
121.06500	5.9
121.08380	2.5
123.04388	1.6
127.03909	0.7
131.04883	6.2
133.02824	4.3
135.04395	0.4
137.05937	6.0
139.03862	0.8
140.04683	2.0
145.02788	0.7
147.04349	0.5
148.05148	1.4
149.05963	9.5
152.04601	0.5
153.05499	1.9
155.07021	1.8
159.04399	2.3
162.03026	0.3
163.03870	1.8
165.05450	4.9
166.07170	0.6
166.08600	25.9
167.06999	43.8
171.06483	1.3
176.04662	0.5
177.05429	17.3
178.04971	1.8
179.07039	0.5
182.05705	12.8
183.06490	0.4
191.07034	0.5
194.05769	0.6
195.06584	1.6
197.08047	6.8
206.04454	1.7
209.08076	8.4
212.06755	0.5
225.07556	0.6
227.09102	11.5
265.55878	0.3
270.63297	0.3
271.11713	9.7
301.12711	6.8
316.09003	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	498.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
55.01848	0.3
57.03415	0.2
61.02894	0.4
67.05470	0.1
69.03413	0.6
73.02837	0.1
76.77998	0.1
79.05436	0.1
81.03404	0.6
81.07024	0.4
82.94118	0.1
83.01308	0.2
84.59616	0.1
85.02887	2.5
87.04456	0.1
91.03893	0.1
93.07034	0.1
95.04943	0.7
95.08578	0.1
97.02856	0.7
99.04426	0.1
103.05469	0.6
107.08588	0.1
109.02834	0.5
109.10107	0.1
113.05974	0.4
123.04408	1.4
125.05956	0.2
125.24889	0.1
126.03135	0.8
127.03877	0.4
131.04901	1.2
135.11678	0.1
136.01579	0.1
137.02318	1.9
137.05946	0.2
141.05440	1.5
145.04874	0.1
146.21973	0.1
151.03877	3.3
154.02582	4.0
154.03835	0.1
163.07491	0.5
169.04922	100.0
170.05261	0.5
180.08670	0.1
181.04916	0.1
182.00920	0.1
189.05396	0.1
211.06056	0.1
212.98433	0.1
220.62401	0.1
295.31369	0.1
319.11639	1.6
331.10147	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.383
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	21.4
57.07058	7.0
67.05492	32.1
69.07054	34.3
71.08598	4.2
79.05486	15.8
81.07034	100.0
83.08607	16.9
85.06570	3.3
88.44939	4.2
91.05489	15.0
93.07019	23.8
95.04964	3.9
95.08578	72.9
97.10155	7.2
99.04423	4.2
105.06997	26.8
107.08574	36.2
109.06486	7.5
109.10134	51.3
111.08057	3.2
119.08556	25.0
121.10105	30.3
123.11691	17.9
125.06016	5.2
131.08557	8.3
133.10101	17.1
135.08009	5.2
135.11661	12.9
137.05974	40.0
137.09598	35.1
145.10123	15.4
147.11644	5.5
149.13248	6.8
151.07553	16.0
159.11652	13.6
161.13248	15.0
163.11142	5.0
165.09129	4.6
171.11729	3.5
173.13220	4.6
175.11089	4.4
185.13348	3.9
187.14841	7.5
327.30920	3.5
347.26199	3.8
397.34631	4.6
415.35632	24.7
417.37695	4.2
443.35007	14.7
461.36365	25.0
464.53503	4.2
497.36087	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	497.3317
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
55.01864	0.4
55.05502	3.6
57.03411	0.9
57.07057	1.3
61.02919	0.4
64.74722	0.2
67.05192	0.4
67.05496	5.9
69.03402	1.9
69.03706	0.2
69.06712	0.4
69.07053	6.3
69.98943	0.2
71.04965	1.8
71.08598	0.3
79.05116	0.2
79.05477	3.5
80.45117	0.2
81.03380	1.1
81.07036	20.6
83.04961	0.6
83.08603	2.9
85.02885	5.9
85.06522	2.4
86.09679	0.5
91.05433	1.7
93.07018	7.9
95.04922	1.0
95.08580	16.2
97.02877	1.1
97.06499	1.4
97.10126	1.8
99.04422	0.3
99.08054	1.1
103.05422	0.5
105.07006	3.0
107.08575	8.9
109.02847	1.0
109.10135	11.3
111.08045	0.5
111.11687	1.1
113.05981	0.3
113.09613	2.3
119.08543	3.0
121.10113	5.6
123.04408	1.5
123.11678	6.4
125.09591	1.6
126.03141	0.5
127.03873	0.5
127.11155	0.4
131.04869	2.0
131.08484	0.3
133.10117	2.7
135.11668	6.1
137.02307	1.7
137.05940	1.6
137.13203	2.6
139.11176	0.5
141.05414	2.1
145.04904	0.3
147.11661	2.1
149.05928	0.5
149.13216	4.9
151.03865	3.9
151.14796	0.4
153.12714	1.1
154.02576	3.9
157.07603	0.3
161.13213	1.2
163.03842	0.2
163.07481	0.3
163.14793	2.8
165.16333	0.5
167.14249	0.3
169.04919	100.0
175.14775	1.6
177.05344	0.4
177.16322	0.9
189.16309	1.9
205.19434	0.3
245.22595	4.9
259.03256	0.2
263.23633	5.3
281.24670	9.3
299.25754	4.2
317.26712	1.4
319.11780	1.4
331.10074	1.2
437.69861	0.2
453.21127	0.3
497.19595	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.1
53.03942	0.9
55.01860	1.1
55.05499	18.6
57.03422	1.6
57.07063	6.5
61.02904	1.4
67.01340	0.9
67.05488	33.4
67.05843	1.5
69.03413	2.0
69.07053	34.6
71.04971	13.0
71.08605	1.5
79.05472	18.4
79.41432	1.0
79.61880	1.1
80.63077	0.9
81.07036	100.0
81.75201	0.9
83.04977	2.1
83.08600	15.0
85.02895	8.0
85.06536	13.6
86.09686	1.2
89.34670	1.0
91.05437	7.7
93.07025	39.8
95.04958	1.9
95.08584	86.4
97.02885	2.0
97.06517	5.0
97.10134	9.8
105.07018	11.4
107.08580	38.5
109.06499	1.5
109.10139	52.6
109.51842	1.1
110.10467	1.1
111.08057	5.4
111.11719	5.9
113.09638	12.5
119.08577	10.4
121.10125	20.5
123.11684	19.9
125.09649	3.9
125.13273	1.4
131.08446	1.2
133.10088	9.8
135.11671	25.5
137.13222	10.7
147.11685	7.1
149.13196	15.4
151.14867	1.1
153.12762	4.4
161.13278	5.0
163.14810	8.2
171.13815	1.7
173.13182	1.4
175.14810	1.7
177.16452	1.1
189.16385	5.0
229.36668	1.0
245.22598	12.1
263.23688	17.5
280.97818	1.2
281.24728	36.2
299.25754	9.5
317.26752	1.3
371.59128	1.3
411.44138	1.2
456.09854	1.2
497.17776	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00607	0.7
53.03944	1.0
55.01882	0.8
55.05505	17.6
57.03414	1.3
57.07061	6.3
61.02906	1.0
65.21789	0.9
67.05490	31.8
69.03410	3.8
69.06713	1.3
69.07053	22.8
70.55395	0.9
71.04973	6.8
79.05479	15.9
81.07037	100.0
83.04959	1.5
83.08596	10.9
84.98442	0.9
85.02881	9.3
85.06506	8.5
91.05460	5.9
93.07024	34.2
95.08582	89.7
97.02833	1.1
97.06508	4.4
97.10143	10.1
99.08060	3.9
105.07018	15.4
107.08574	40.4
109.10139	49.4
111.08073	4.8
111.11695	1.8
113.09614	6.3
119.08562	13.5
121.10118	26.3
123.11674	25.8
125.09615	6.1
133.10097	9.6
135.11653	26.6
137.13217	11.3
139.11171	2.2
147.11684	11.8
149.13235	23.7
151.11147	1.5
151.14816	1.6
153.12706	4.9
161.13237	4.8
163.14778	19.1
165.16348	1.8
169.12271	0.9
171.13814	1.2
173.09415	0.9
175.14787	9.7
177.16377	3.9
180.24567	1.1
181.15831	1.7
189.16353	12.8
214.22110	1.0
245.22559	21.6
263.20911	1.1
263.23642	29.7
281.24692	38.2
283.16196	1.0
299.25739	16.5
300.26205	1.0
317.26794	5.2
380.91281	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1612
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.5
53.03938	3.7
54.81721	0.6
55.01852	4.4
56.33619	0.5
57.03428	7.2
58.96655	0.5
59.49242	0.4
61.02910	11.2
69.03067	1.0
69.03415	19.7
71.04967	3.2
73.02900	4.2
77.09342	0.6
81.03391	10.2
83.01373	0.6
85.02887	100.0
87.04441	1.3
91.03940	6.1
92.08595	0.6
93.47451	0.6
97.02870	26.3
99.04424	4.9
109.02862	9.1
110.03642	33.3
120.94620	0.6
127.03885	19.8
137.03491	0.6
139.02620	19.5
141.90704	0.5
145.04938	25.0
155.08507	0.5
156.02893	60.8
163.05989	5.7
180.08606	1.2
202.41150	0.5
241.97842	0.6
289.91391	0.6
317.11053	0.7
369.35666	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1764
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.5
53.03944	1.2
55.05500	1.0
57.03425	2.6
58.52430	0.4
59.74639	0.4
61.02911	1.3
65.03928	1.0
66.64599	0.5
67.05493	4.6
69.03419	6.2
69.07055	78.3
71.04986	2.6
73.02903	1.0
79.05477	2.4
80.05000	0.6
81.03406	2.4
81.07046	8.3
83.65189	0.5
83.71448	0.5
84.79102	0.5
85.02890	14.7
92.05013	0.7
92.09354	1.0
93.07033	2.6
94.06527	4.1
95.04955	1.1
95.08591	3.4
95.28999	0.6
96.08105	0.7
97.02864	5.9
97.06512	13.1
105.07011	1.3
106.06569	0.6
107.08592	2.4
108.04478	0.8
109.02870	1.0
109.06507	1.2
109.10144	3.4
112.00875	0.5
115.74858	0.6
121.05287	0.8
121.06503	1.0
121.10119	0.7
122.06017	7.7
123.11692	1.0
124.07584	2.5
125.05994	1.2
127.03865	1.2
131.07214	0.5
135.11703	0.7
137.05960	3.6
137.13240	0.8
138.05470	5.9
140.07057	6.9
141.07855	0.7
144.08067	1.4
145.08867	2.5
145.09988	0.7
146.09648	4.2
147.06839	0.5
148.03969	0.9
150.05487	83.5
152.03412	1.0
153.12762	0.8
157.08864	2.5
159.10408	1.3
160.07555	0.8
160.11177	1.0
161.08337	4.4
162.09056	4.2
164.03413	1.1
165.04201	0.8
166.04961	25.2
168.06587	1.4
172.07558	2.2
172.11208	4.2
173.08342	0.9
174.09206	0.7
174.12787	6.9
176.03369	7.1
178.05000	3.1
185.08331	2.2
187.10002	0.8
188.10689	1.3
190.08670	0.9
190.12221	7.7
192.02971	1.0
194.04539	2.4
198.09250	0.8
200.07050	1.0
200.10703	8.9
202.12251	8.3
204.10153	0.6
206.11763	0.7
213.10307	1.0
216.10179	6.1
218.08208	2.6
218.11719	26.7
226.08652	1.1
228.10141	20.5
229.13293	1.0
234.11208	3.7
243.11244	0.8
244.09645	3.5
245.12924	1.0
246.11208	18.0
255.11273	0.8
256.09692	2.4
257.09189	1.1
271.10727	5.3
272.09192	4.3
273.12247	2.5
274.10672	2.9
281.24762	2.7
287.10184	11.9
289.11847	8.6
290.10141	0.8
299.10120	7.6
299.26129	0.7
317.11249	31.5
318.09579	0.9
335.12305	100.0
336.12720	1.0
497.17508	4.3
512.78424	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1441
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.9
64.33540	1.0
64.55060	0.9
67.01846	7.9
67.05484	7.7
68.99767	2.4
69.03412	4.6
69.07050	2.2
71.04964	1.7
74.40013	1.0
79.05473	6.0
80.29456	1.1
81.03391	4.4
81.07034	11.4
83.04977	2.0
83.08596	2.0
85.02911	4.0
91.05457	9.8
93.07027	8.5
93.41881	1.1
94.35087	1.1
95.04965	5.0
95.08592	6.7
97.02892	1.9
97.06487	2.2
103.05470	7.8
104.06226	1.7
105.03457	1.1
105.07016	8.7
107.04948	5.8
107.08586	6.4
109.06483	2.1
109.10174	4.8
111.00778	1.2
115.05453	1.5
115.53362	0.9
117.07010	1.4
118.04137	1.2
119.04884	2.3
119.08555	3.9
121.06492	2.5
121.10124	1.1
123.04440	4.5
123.11706	1.4
125.09579	1.7
127.03857	1.7
129.06960	1.1
131.04893	18.5
131.08566	4.3
132.05688	20.4
133.02794	1.2
133.06412	1.3
133.10106	2.5
135.08025	2.0
136.56645	1.2
137.05968	3.8
145.10146	2.0
147.04413	4.1
147.11642	1.3
148.05150	1.2
149.05956	1.9
151.03970	1.1
151.07559	1.5
153.01808	100.0
155.38733	0.9
157.10141	1.3
159.04433	1.7
160.05209	9.8
161.05925	6.2
163.03871	1.6
163.07573	3.7
164.04674	1.4
167.07025	9.9
171.02869	28.0
173.05966	1.1
175.04013	1.1
176.04713	1.9
177.05472	7.4
179.03384	11.8
179.06981	1.9
180.07735	1.6
187.03949	1.6
191.07011	9.4
192.07776	32.3
193.08559	4.1
201.05490	1.1
203.03319	2.2
209.08090	1.7
210.08881	4.0
248.21753	1.1
259.05850	4.3
280.68817	1.1
287.23953	1.1
295.09711	1.2
311.09109	1.2
313.07083	2.5
371.11444	1.1
467.13330	1.9
497.14127	13.9
497.30298	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	497.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00637	0.2
53.03931	0.5
53.44927	0.2
55.01864	1.1
57.03426	0.6
61.02904	0.4
65.03926	5.4
65.39622	0.3
67.05489	1.9
68.99762	0.3
69.03417	2.5
70.06577	0.3
71.04974	0.6
71.38274	0.2
71.53612	0.3
73.02891	0.4
75.22742	0.3
79.05477	0.3
81.03404	1.5
81.07043	1.6
82.44615	0.3
85.02892	4.1
87.61731	0.3
91.05447	0.5
93.03377	4.4
93.07016	0.4
95.04948	1.7
95.08578	0.6
97.02865	1.7
99.04453	0.3
105.06998	0.5
106.02490	0.3
107.08561	0.4
108.02077	1.6
109.02882	1.3
109.10158	0.3
110.03634	1.4
111.04430	15.4
115.82590	0.3
117.72189	0.3
118.25746	0.4
118.94287	0.3
121.10078	0.3
123.11678	0.4
125.05974	9.1
127.03918	1.2
130.49347	0.3
139.03886	11.3
141.05458	4.0
145.04996	0.4
149.09639	0.3
151.03888	100.0
151.04987	7.9
152.04131	0.3
153.05429	0.6
167.03366	5.1
169.04933	20.0
295.08215	0.5
306.30725	0.3
313.09149	1.1
315.15176	0.3
437.07584	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3996
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44691	1.1
55.05508	22.0
57.07071	10.5
61.75061	1.2
66.05706	1.2
67.05492	27.0
69.07057	32.8
71.08607	2.6
79.05471	11.9
81.07039	70.6
82.07373	1.7
83.08614	16.8
84.08986	1.3
84.09504	1.3
85.06510	1.7
86.09689	2.6
91.05458	5.8
91.46054	1.5
93.07030	11.2
95.04962	2.0
95.08585	78.8
97.06501	2.0
97.10152	11.4
102.59115	1.6
104.57693	1.3
105.06999	8.1
107.08567	14.7
109.06502	2.5
109.10144	33.3
111.11690	2.8
116.60129	1.4
119.08540	7.3
121.06474	3.5
121.10117	19.1
121.88371	1.4
122.06644	1.9
123.08031	28.9
123.11681	15.5
124.99956	2.3
125.09624	1.8
131.08592	1.6
133.06458	6.5
133.10121	3.0
135.11668	6.6
135.95657	1.5
137.09593	22.3
137.13226	6.5
139.07518	6.8
145.10101	2.3
147.11652	2.2
149.09608	9.0
149.13295	2.8
151.07523	30.9
151.14807	1.7
165.09154	2.5
166.09438	3.1
169.08568	100.0
184.07312	7.4
189.71425	1.4
354.28226	1.5
397.34375	2.1
399.36169	6.5
413.13077	1.3
415.35657	29.3
443.34613	8.2
460.34918	1.5
461.36176	87.0
499.09451	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.4001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03889	2.8
55.01866	3.6
55.05509	23.3
57.07074	22.1
67.01845	5.5
67.05505	36.5
69.07065	45.6
70.04797	2.8
71.08614	15.5
71.43483	2.9
73.26015	2.7
74.58249	2.8
79.05473	11.8
81.07043	66.6
83.04964	4.6
83.08607	15.6
85.10162	6.2
89.06026	15.6
91.05491	5.6
93.07035	59.9
95.08585	80.2
97.10183	6.3
105.07033	6.4
107.08577	18.8
109.06464	3.6
109.10144	32.0
111.08104	23.6
111.11716	4.5
114.04411	3.3
119.08521	3.7
121.10144	7.0
123.11684	18.3
127.07488	4.2
133.08559	4.7
133.76625	3.4
135.08025	5.5
137.13300	3.7
139.07520	25.2
139.89326	3.4
149.09630	4.6
151.07524	21.2
151.11133	3.3
151.14804	3.6
153.09093	16.0
154.79065	2.8
157.08548	3.6
158.51680	3.0
160.43590	3.0
167.06895	3.9
169.08580	28.9
181.12341	3.9
183.11725	3.3
195.13873	3.2
207.13840	3.2
284.33151	3.6
401.34158	16.2
419.35101	100.0
443.34933	14.1
461.36185	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	496.3479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
55.01858	0.7
55.05501	11.1
57.03425	1.9
57.07065	3.7
62.74501	0.5
65.03921	0.5
67.05487	27.7
69.03416	4.3
69.07051	17.1
70.61800	0.4
71.04973	5.6
71.08608	0.8
75.89339	0.7
79.05463	12.1
81.03403	1.0
81.07033	94.7
82.07372	0.7
82.94928	0.5
83.04976	0.6
83.08603	10.0
85.02882	12.1
85.06542	4.1
91.05460	3.1
93.07018	25.4
95.04929	0.9
95.08579	100.0
97.02850	2.1
97.06499	3.1
97.10139	9.0
99.04372	0.7
99.08057	3.0
105.06993	6.6
106.66116	0.4
107.04932	1.9
107.08572	25.1
109.02869	0.6
109.06481	1.1
109.10135	49.5
110.10405	0.7
111.08053	1.0
111.11698	3.4
113.09612	3.5
118.13463	0.5
119.08566	6.4
121.06402	1.0
121.09254	0.9
121.10116	22.2
123.08002	0.7
123.11671	28.4
125.09596	2.2
127.03851	0.9
133.10103	5.9
135.07887	0.6
135.11664	22.7
137.05994	1.5
137.09595	2.2
137.13223	7.3
139.11079	0.9
147.11641	4.3
149.13223	16.9
151.14807	2.1
153.12752	0.8
159.11589	0.5
160.20909	0.6
161.13239	4.0
163.13539	0.7
163.14784	13.1
165.07750	0.8
165.09079	17.5
165.16350	1.9
166.09352	5.1
175.14774	4.5
177.16333	0.9
189.16335	6.9
203.17899	1.1
206.05705	0.5
245.22580	14.0
263.23627	67.9
281.24680	34.6
299.25760	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	496.3476
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
55.01870	0.8
55.05259	0.9
55.05500	13.9
55.24180	0.4
57.03420	3.2
57.07067	4.7
59.04985	1.0
59.99682	0.4
61.02900	1.1
67.05138	1.0
67.05489	24.3
69.03410	3.2
69.07050	27.6
71.04976	8.8
71.08630	0.6
79.05466	10.3
81.03391	0.8
81.07034	100.0
83.04949	2.2
83.08600	10.0
85.02883	13.3
85.06522	8.5
86.03248	0.5
91.05462	4.4
93.07018	21.0
95.04990	1.7
95.08578	87.1
97.02862	2.7
97.06503	2.8
97.10146	13.0
99.04484	0.7
99.08071	3.1
99.49303	0.5
105.07005	11.7
107.04928	2.0
107.08570	24.0
109.02866	0.6
109.06508	2.3
109.10135	43.5
111.08080	1.2
111.11732	0.8
113.09589	4.5
119.08549	8.6
121.10115	21.7
123.11678	37.3
125.09624	3.1
127.03889	1.3
127.07505	3.0
133.10077	5.7
135.11649	16.1
137.05968	0.7
137.09612	0.9
137.13231	9.7
139.11180	1.1
147.04291	0.5
147.11652	8.8
149.13211	13.2
149.14293	0.5
151.07579	0.6
153.05449	3.8
153.12758	2.2
155.44997	0.5
161.13239	3.1
163.14775	8.0
165.09044	0.8
165.12784	0.7
165.16383	0.7
175.14774	4.4
177.16295	2.2
182.50169	0.5
189.16357	5.9
203.18036	0.6
205.19473	1.8
207.17467	1.2
225.18484	0.6
245.22620	10.2
263.23639	36.8
269.25900	0.6
281.24680	77.3
299.25726	13.1
309.17432	0.9
317.13864	0.7
327.18515	0.7
373.13156	0.8
443.63947	0.6
478.52777	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.3391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09256	0.1
55.05505	0.2
56.05021	0.3
57.03431	0.2
57.07066	1.3
58.03952	0.1
58.06577	0.2
59.28773	0.2
60.08147	8.5
61.27865	0.2
67.05488	0.7
69.07048	0.3
71.07352	3.6
71.08603	0.8
72.45631	0.2
81.07021	1.1
83.04928	0.2
83.65765	0.2
85.10181	0.3
86.09682	42.8
93.07004	0.8
95.08597	0.8
98.98428	3.1
104.10715	3.7
105.07024	0.3
107.08599	0.7
109.10101	0.3
114.30907	0.1
117.93764	0.2
119.08543	0.2
124.99968	32.4
143.01003	0.2
147.11685	0.2
159.11668	0.2
165.09065	1.6
184.07288	100.0
313.27057	0.2
324.75439	0.2
339.76923	0.2
356.17657	0.2
413.55338	0.2
478.32751	1.2
496.33911	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	496.348
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37806	0.4
53.00295	0.9
53.03918	0.5
55.01839	0.5
55.05504	11.2
57.03418	2.6
57.07054	3.4
59.78548	0.4
61.02899	1.9
65.83289	0.5
67.05488	27.7
69.03420	4.2
69.07056	20.5
71.04976	5.2
79.05469	12.0
81.03397	0.6
81.07036	100.0
82.07376	1.0
83.04951	0.9
83.08600	11.0
85.02888	12.0
85.06513	4.4
91.05453	4.5
93.07022	24.4
95.04947	0.9
95.08582	99.5
96.08921	0.9
97.02854	2.8
97.06497	2.8
97.10126	8.7
99.08084	2.0
105.07020	6.0
107.04929	2.5
107.08578	27.9
109.02855	0.5
109.06512	1.0
109.10140	52.7
110.10448	0.8
111.08038	2.2
111.11714	4.7
112.21589	0.5
113.09611	2.6
119.08566	7.1
121.06461	1.1
121.10119	21.9
122.07182	0.6
123.08086	0.8
123.10781	1.2
123.11680	34.5
125.09601	2.5
127.03908	1.2
131.08485	0.8
133.10092	6.1
135.10660	0.7
135.11671	20.5
137.05928	1.1
137.09584	2.5
137.13222	8.4
138.09900	0.6
139.11111	1.0
147.11670	4.8
149.13239	19.1
151.14807	1.1
153.12741	1.9
161.13249	4.2
163.13396	0.7
163.14760	12.5
165.09070	22.9
165.16370	1.3
166.09430	5.4
175.14809	4.8
177.16322	0.8
180.00740	0.6
189.16359	7.7
203.17834	2.2
205.19496	2.3
245.22571	14.1
263.23630	62.0
264.96594	0.5
281.24686	34.8
299.25754	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	496.3396
Annotation	PC(16:0/0:0)[U] / PC(16:0/0:0)[rac]
Peak:m/z	Relative Intensity
54.21140	0.7
57.07062	4.2
58.06583	1.3
60.08155	19.8
67.05489	1.1
69.07053	0.9
71.07359	8.4
71.08601	4.0
86.09692	70.8
95.08603	1.7
98.98452	4.9
104.10728	96.8
124.99985	38.4
151.86877	0.8
184.07310	100.0
208.31380	0.8
313.27347	1.1
478.32797	8.8
496.33887	33.7
503.42310	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
52.02150	0.4
53.00292	1.0
53.03926	0.5
54.81657	0.6
55.01850	0.4
55.05515	4.4
57.03426	5.0
57.07056	0.4
59.04982	3.0
60.23423	0.4
60.65241	0.5
61.02906	0.9
66.35431	0.5
67.05486	2.4
69.03400	2.1
69.07058	4.4
71.04976	55.7
73.02894	2.3
73.06537	5.4
75.04459	2.0
79.05469	4.9
81.03423	0.6
81.07038	33.4
83.04965	8.4
83.08598	1.0
85.02891	44.6
85.06533	0.6
87.04438	0.8
91.05463	2.2
93.06417	0.8
93.07021	20.0
95.08581	4.0
96.09845	0.5
97.02865	2.2
97.06516	3.4
99.04432	0.7
105.07008	1.1
107.08578	15.4
109.02819	0.8
109.06461	0.5
109.10139	2.9
111.04448	4.4
114.06920	0.5
119.08566	0.6
127.03870	2.1
129.05461	10.4
135.11671	30.8
145.04926	1.1
147.06514	5.8
153.12721	100.0
255.08586	2.1
273.09677	1.1
304.91867	0.5
309.11716	1.1
317.19577	0.8
449.56671	0.6
468.93936	0.6
477.57547	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06004	1.7
52.74137	1.6
53.03951	2.2
57.03423	7.9
61.02917	3.8
64.00151	2.0
69.03397	3.4
70.57016	1.9
71.04990	2.6
73.91148	2.0
81.03385	2.4
85.02877	17.5
87.71864	2.1
91.05431	11.1
92.97813	2.4
95.04937	11.8
96.39563	1.8
97.02850	10.2
98.97546	2.7
107.04881	4.9
109.06490	9.4
119.04899	3.8
123.04408	21.9
125.57017	2.3
126.12064	2.1
133.02809	13.7
135.04390	4.7
137.02307	18.0
137.05952	23.4
140.04652	100.0
147.04445	4.4
148.36293	2.2
153.05443	4.7
154.08598	2.1
155.03362	9.7
155.05779	4.4
155.06999	97.3
165.05450	19.6
166.65338	2.2
167.06944	3.1
173.08069	9.3
179.06975	9.6
180.04134	12.8
181.04926	67.6
193.04935	22.1
195.06500	5.2
197.08012	9.0
207.06483	27.8
225.07538	18.4
243.08598	44.6
245.08789	2.1
317.12222	77.7
317.15714	4.3
317.87262	2.5
481.28787	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.4
60.52570	0.3
60.97160	0.3
67.67477	0.3
69.03422	0.5
79.05457	1.4
85.02888	1.5
97.02859	0.4
103.05430	0.5
105.07014	100.0
106.07311	0.4
107.04948	0.4
114.14396	0.3
122.09647	26.8
125.06032	1.0
127.03915	0.4
135.04414	0.5
137.02301	2.0
137.05934	0.4
151.03918	1.3
152.92143	0.3
153.01877	0.4
154.81482	0.3
155.03400	0.7
157.61153	0.3
163.03908	0.5
165.05531	0.4
192.43736	0.3
213.07596	1.4
252.42859	0.3
315.73599	0.3
342.19968	0.3
497.12787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	496.2541
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30636	2.5
54.04182	2.4
54.81395	3.7
55.01867	3.3
55.05501	5.2
57.03413	3.2
67.05489	22.3
67.45309	2.6
69.03415	7.3
69.06171	2.9
69.07064	6.5
69.23561	2.4
70.06596	3.7
74.15753	3.1
76.55785	2.8
77.44838	3.1
77.45332	2.7
79.05471	30.4
81.03416	6.4
81.07039	46.2
83.04972	5.9
83.08614	2.8
85.02884	28.2
85.06573	2.9
86.26455	3.0
91.05459	34.9
93.07024	14.0
95.04937	4.4
95.08598	20.5
97.02868	14.5
101.06448	3.0
105.06998	14.4
107.08575	96.5
109.06496	13.1
109.10155	18.7
115.05426	4.8
117.07011	13.3
119.08564	5.5
121.06483	3.1
122.07241	3.6
123.04423	7.4
123.18536	2.8
125.09580	22.1
133.10143	4.0
135.08023	100.0
137.09589	42.4
137.13220	17.0
145.10110	6.5
149.09589	29.4
153.09138	5.3
159.08051	3.3
159.11671	13.3
163.07547	30.7
165.09082	6.6
166.72635	3.0
172.08826	15.4
173.09537	6.9
174.10371	15.3
175.11255	3.8
181.08563	30.3
186.10466	7.4
187.11154	68.0
189.12761	13.6
191.03394	12.6
201.12680	29.1
202.13507	13.2
225.12660	4.9
253.15814	15.1
277.96558	3.3
299.16464	17.2
410.10458	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25012	1.5
52.65203	1.6
52.77837	1.5
55.05495	13.5
57.03428	2.3
57.07046	3.1
58.22693	1.5
67.05495	23.6
69.03432	2.2
69.07044	17.4
69.80531	2.0
71.04952	1.9
78.09864	1.7
79.05468	11.6
81.03381	2.3
81.07032	48.1
83.04958	2.1
83.08595	9.1
91.05456	8.9
93.07020	23.7
95.04910	3.1
95.08572	30.2
97.06500	3.6
97.10118	2.7
101.64321	2.1
105.06994	12.4
107.08552	24.9
109.06487	2.5
109.10139	23.8
111.11705	2.2
117.06978	2.7
117.97073	1.8
119.08537	8.9
121.06459	2.2
121.10120	12.2
123.11671	10.5
131.08537	3.6
133.10120	8.1
135.08018	3.9
135.11635	9.0
137.05954	4.8
137.09593	14.0
139.07455	2.6
143.08530	2.8
145.10120	4.6
147.11711	2.4
149.09586	17.0
149.13246	10.8
150.59857	1.8
151.07481	3.7
157.10054	3.5
159.11630	3.5
161.13139	3.6
163.11058	2.7
165.09071	100.0
165.43654	2.1
173.13220	2.9
175.11142	3.9
177.09096	14.0
179.07025	3.9
179.12334	2.2
185.13219	2.6
187.11061	2.8
191.10529	3.8
203.10640	8.3
203.14249	2.5
205.12289	13.8
216.11423	2.8
231.13747	3.3
290.73511	2.1
384.14044	2.2
423.32306	7.3
441.33502	21.6
459.34497	10.9
495.30081	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	496.2021
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01838	0.5
57.03424	4.3
59.04974	0.4
61.02893	0.6
69.03411	14.9
71.04970	0.7
73.02872	0.8
75.04447	1.8
79.05437	0.5
79.85700	0.4
81.03391	3.4
81.07029	0.5
82.04180	0.5
83.04923	0.4
85.02420	0.6
85.02884	11.5
87.04446	9.3
93.07936	0.4
95.01302	1.5
95.04908	0.8
97.02864	11.7
99.04410	0.4
107.04948	0.5
109.06466	0.7
110.03634	4.4
111.04417	0.7
115.03891	8.4
123.04366	1.4
125.05962	31.6
127.03864	2.0
133.04942	6.6
135.04344	0.9
136.05136	0.4
137.05925	0.8
139.03856	4.5
139.07509	0.7
150.07524	0.5
151.07509	0.5
152.04622	1.6
153.05437	69.3
154.06213	22.9
154.07481	0.7
155.03377	1.5
155.06961	1.7
163.03880	1.9
164.04625	0.4
166.06187	3.3
167.06979	7.9
170.05682	11.7
177.05510	0.5
178.06192	7.4
179.03320	1.8
181.08554	1.9
182.05695	7.6
184.07327	0.4
185.08049	100.0
186.08415	0.7
191.07013	0.5
192.07794	1.6
194.05716	15.3
195.06523	1.9
195.10127	0.4
197.08047	8.6
209.08044	16.3
219.06445	0.4
220.07292	0.7
221.07983	2.5
223.09561	0.6
227.09094	9.6
235.09590	1.4
236.06789	0.8
248.06168	0.4
251.09048	4.4
263.09097	3.8
281.10107	10.2
299.11359	2.7
299.14215	0.5
311.11118	1.7
317.12366	1.7
415.90271	0.4
436.24933	0.4
480.79837	0.4
503.74939	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	3.4
55.05500	32.6
55.16122	2.2
57.07056	5.2
58.10033	2.0
67.05486	30.3
69.07052	47.0
71.04978	2.9
71.08620	2.7
76.22870	2.4
79.05471	20.5
79.42490	2.5
81.07037	100.0
83.04962	2.8
83.08613	16.8
88.44199	2.3
91.05452	14.9
93.07011	35.2
95.08583	71.8
97.06490	4.4
97.10154	11.1
102.66466	2.7
105.07018	15.6
107.08577	30.8
109.06506	11.6
109.10137	48.8
111.08086	6.3
111.11738	5.1
117.07019	3.4
119.08569	16.7
121.06465	3.8
121.10140	21.3
123.08016	2.8
123.11649	21.8
125.09668	3.2
131.08546	3.6
133.06461	4.6
133.10033	9.3
135.07997	5.1
135.11655	6.3
137.05949	13.8
137.09625	3.7
137.13232	5.6
139.07515	32.7
145.10066	3.1
147.11662	4.8
149.06009	5.9
149.13220	3.8
151.07542	15.8
157.10104	5.6
159.11713	2.8
161.09723	2.4
161.13217	4.4
163.07536	3.7
163.14743	3.1
165.05460	3.7
165.09039	20.6
167.06987	3.8
171.11638	4.2
175.09625	2.9
175.11115	5.0
177.09084	15.1
177.16364	3.0
185.01357	2.7
189.12762	2.7
198.21986	2.5
203.10603	6.1
215.91791	2.7
303.26669	3.0
330.28622	3.0
413.33975	4.3
431.35120	2.9
441.33640	18.5
459.34601	17.2
495.34094	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	495.3673
Annotation	Dendronesterol B
Peak:m/z	Relative Intensity
51.47038	2.0
55.01863	2.8
55.05502	25.3
57.07080	3.6
67.05492	26.4
69.07053	32.6
71.04977	19.4
71.08615	3.6
79.05454	16.0
81.07033	100.0
82.07339	2.2
83.08604	21.7
91.05454	4.5
93.07021	24.3
95.08579	66.5
97.10147	12.4
99.04432	11.3
105.07010	13.3
107.08568	16.9
109.06517	13.0
109.10138	40.6
111.11681	4.9
113.79741	2.3
119.08569	10.2
121.10094	9.8
123.11685	16.2
124.88049	2.5
125.05950	49.3
125.09615	2.9
127.03891	22.1
133.10100	10.8
135.11676	9.8
137.05948	68.2
137.09572	9.9
137.13229	9.9
143.08452	4.3
145.10081	5.7
149.13225	3.7
157.10118	4.3
159.11624	10.3
161.13261	3.1
163.14749	3.9
165.09068	91.3
166.09396	26.7
167.07030	19.0
171.11652	4.4
173.13231	3.2
175.11142	2.8
185.13202	2.5
187.14728	3.5
205.12228	3.8
213.12671	3.2
231.58012	2.6
333.31497	9.9
399.32474	10.3
417.33453	4.7
459.34552	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	495.3161
Annotation	Unknow
Peak:m/z	Relative Intensity
50.39773	2.3
53.03933	3.6
55.05498	26.5
57.03421	3.0
57.07059	2.9
62.87055	2.5
67.05495	37.2
69.03407	6.1
69.07049	36.3
71.04990	10.7
75.64883	2.6
79.05464	20.7
81.07034	72.1
83.08586	17.3
85.02873	14.4
85.06521	13.6
91.05447	7.0
93.07016	39.4
93.33847	2.9
95.04961	3.8
95.07638	3.4
95.08585	96.6
97.06518	3.1
97.10149	11.0
105.06989	18.4
107.08562	47.6
109.10134	63.0
111.08078	4.6
113.09622	43.9
119.08557	20.6
121.10117	33.0
123.08051	4.0
123.11694	31.5
125.09605	4.0
133.10085	17.2
135.11641	33.1
137.09569	4.6
137.13226	5.7
139.11156	3.1
145.10074	7.2
147.11655	13.5
147.60284	2.8
149.03000	3.1
149.13211	11.8
151.11189	5.0
151.14740	3.8
153.05402	4.2
159.11699	6.7
163.14780	5.7
165.09076	12.4
187.14777	6.9
233.22644	5.4
243.21022	16.0
261.22073	30.0
279.23087	100.0
297.24109	36.2
311.05441	7.4
315.25031	4.4
392.59921	3.8
468.24466	3.2
495.17865	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	495.295
Annotation	Herkesterone
Peak:m/z	Relative Intensity
50.82107	1.7
53.03926	4.3
55.01863	4.2
55.05506	37.6
57.03429	24.7
57.07066	2.0
58.65145	1.5
67.05145	2.2
67.05492	50.4
69.03406	10.4
69.07057	17.3
71.04975	11.9
79.05478	61.9
81.03402	100.0
81.07038	63.6
83.04968	30.1
83.08608	29.9
85.02895	52.7
85.06518	3.5
91.05463	69.6
93.07028	48.0
94.07426	1.6
95.04944	42.1
95.08585	26.2
97.02892	3.3
97.06521	7.6
97.10138	10.2
99.04424	2.3
101.05962	2.0
103.05412	2.1
105.06376	2.4
105.07029	49.7
107.04960	17.1
107.08575	20.2
109.06493	12.6
109.10138	12.5
111.04395	2.6
111.08080	16.6
113.05994	2.8
115.05421	2.7
117.06992	4.2
119.08562	34.0
121.06508	3.3
121.10139	19.3
123.08054	8.6
123.11610	3.0
125.09607	2.2
128.06194	1.9
129.06947	21.0
131.08548	27.1
131.81332	1.7
133.06479	4.1
133.10114	23.0
135.11636	1.8
137.09575	3.9
142.07726	8.2
145.10107	9.1
147.08040	4.0
147.11710	26.6
149.09587	11.2
157.10098	19.5
163.11160	2.8
165.09111	3.0
165.12747	1.9
169.10027	2.6
174.51680	2.4
175.11151	17.7
193.12195	42.6
193.13898	2.5
211.13260	49.9
218.11732	2.6
267.15808	30.8
285.16898	11.1
367.22665	2.3
385.23489	2.0
446.56396	2.3
459.27548	18.9
477.28506	24.7
495.13626	2.5
495.22607	3.9
495.29468	76.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.2949
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	5.4
53.62230	4.2
55.01855	8.1
55.05504	49.7
56.96559	11.8
57.03423	33.2
57.07063	5.4
61.02924	63.1
67.05493	67.5
69.03418	35.5
69.07054	30.8
71.04968	9.8
73.02885	30.0
79.05482	81.8
81.03413	48.2
81.07040	100.0
83.04973	17.5
83.08593	20.9
85.02898	53.5
85.06515	4.9
89.81450	4.3
91.03938	31.4
91.05460	84.4
93.07030	99.1
95.04950	35.3
95.08584	65.5
97.02872	39.3
97.10188	6.3
99.04445	7.6
101.02328	6.3
105.07024	73.8
107.08591	58.7
109.06521	5.8
109.10139	34.6
111.04427	5.1
117.07000	32.5
119.08566	64.8
121.10132	30.7
123.08001	6.4
125.09585	5.5
127.03883	8.7
129.06972	9.3
131.08548	50.3
133.06464	10.1
133.10106	46.9
135.08058	8.9
135.11681	25.5
137.09596	8.2
143.08534	10.2
145.10097	36.1
147.11690	30.2
149.09621	8.7
149.13268	8.9
151.07544	6.6
155.08456	6.6
157.10109	22.6
158.09146	5.0
159.11662	17.9
161.13210	7.7
169.08650	5.8
169.10072	6.3
171.11668	11.6
173.13219	7.5
183.11649	9.0
185.13275	6.0
187.45422	5.1
199.14909	5.3
259.20544	8.0
259.97144	5.4
267.09018	20.1
285.10095	19.6
295.19577	4.6
325.21631	5.7
333.24152	23.7
349.16745	5.3
441.26477	7.3
477.28522	24.7
495.29636	47.7
495.35599	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	495.295
Annotation	Unknow
Peak:m/z	Relative Intensity
51.16774	1.5
53.03943	2.6
55.01848	2.0
55.05504	20.5
57.03427	11.2
57.07061	1.9
62.94210	1.5
65.84261	1.4
67.05491	30.0
69.03416	6.7
69.07052	20.9
70.14697	1.5
71.04972	11.3
73.06494	1.4
79.05472	28.9
81.03397	36.8
81.07040	58.9
82.07375	4.0
83.04969	14.8
83.08608	17.7
85.02889	24.2
85.06528	9.6
91.05460	35.5
93.07021	29.3
95.04945	22.7
95.08591	35.7
96.08896	2.3
97.02872	3.2
97.06496	6.4
97.10139	3.3
99.08064	2.1
100.11157	1.6
100.15919	1.6
105.06999	22.9
107.04963	7.8
107.08576	21.8
108.08884	2.2
109.06503	2.9
109.10143	22.3
110.10466	1.7
111.08044	3.5
113.09610	3.8
117.06963	3.0
119.08562	26.2
121.06483	1.7
121.10119	20.7
123.04415	2.8
123.08040	3.9
123.11684	15.1
125.09670	2.7
127.07468	1.8
129.07001	8.4
131.08588	13.5
133.10106	12.1
135.11673	3.9
137.05931	2.2
137.09592	13.6
137.13202	1.7
142.07755	3.5
145.10077	3.8
147.11659	17.5
149.09630	3.7
149.13260	3.2
151.11113	1.6
157.10074	8.1
159.11729	2.5
161.06062	1.9
165.09076	100.0
173.13330	1.8
175.11189	9.7
175.14883	1.8
183.13818	6.7
191.17833	2.1
193.12172	21.7
211.13223	17.5
267.15833	13.3
279.23132	11.2
280.23303	13.0
285.17023	2.0
297.24341	2.4
298.24503	2.7
367.22592	2.2
371.52957	1.9
373.56488	1.7
386.77859	1.8
388.51834	1.7
459.26718	4.9
477.28607	12.6
495.29654	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	495.2945
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08347	0.6
53.03931	4.3
55.01863	1.8
55.05501	24.9
56.49986	0.6
57.03424	18.0
65.03926	1.1
65.80967	0.6
67.05139	1.6
67.05486	39.0
67.05849	1.4
69.03416	7.1
69.07052	10.2
71.04971	7.9
79.05466	41.5
80.55589	0.7
81.03391	70.9
81.07031	46.6
83.04962	21.1
83.08598	22.6
85.02517	1.0
85.02886	38.6
85.06522	3.2
91.05454	48.6
93.07020	27.5
93.07474	1.0
95.04936	34.0
95.05511	1.5
95.08583	20.3
97.02863	3.7
97.06483	5.5
97.10164	7.4
99.08083	0.9
105.06999	37.6
107.04928	9.8
107.08568	11.8
109.06494	9.4
109.10130	10.4
111.04435	3.7
111.08047	8.0
113.05999	3.3
115.05482	2.8
117.07007	3.7
119.04845	0.7
119.08544	27.9
121.06512	3.4
121.10098	9.5
122.07270	1.3
123.08059	4.5
123.11708	1.6
125.09601	1.2
129.06969	14.0
131.08528	16.2
133.06491	1.8
133.10103	13.0
135.08000	1.0
135.11681	1.2
137.09581	20.2
142.07785	3.7
143.08562	1.0
145.06467	1.1
145.10092	2.6
147.08054	4.0
147.11668	16.6
147.12750	1.0
149.09589	7.6
155.08530	0.9
157.10066	15.4
165.09067	100.0
165.12753	1.8
166.09470	3.2
175.11142	13.6
193.12193	29.7
205.12280	3.8
211.13251	33.2
267.15829	19.2
285.16843	5.6
301.98181	0.7
303.59296	0.9
307.26328	1.4
371.66934	0.8
385.23682	1.8
403.24832	1.1
433.25797	1.1
451.27011	1.1
459.27173	11.2
477.28452	12.2
495.29425	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	495.1283
Annotation	5'-Methoxyhydnocarpin-D
Peak:m/z	Relative Intensity
54.81712	1.8
55.05497	7.0
57.03423	6.0
57.07064	1.7
67.05478	8.0
69.03414	1.7
69.07068	11.8
71.04980	22.4
71.17183	1.4
72.05299	1.9
79.05473	6.8
81.03378	5.9
81.07029	18.8
83.04969	6.1
83.08611	3.2
85.02894	33.4
85.06525	2.0
86.03182	1.9
91.05457	2.8
92.09345	3.4
93.07011	9.1
95.04934	2.8
95.08578	16.1
97.02872	2.2
97.10122	2.7
99.08029	1.4
100.11251	7.4
101.14375	1.5
102.98278	1.5
105.07023	5.6
107.04958	2.8
107.08590	7.3
109.02859	1.7
109.06490	2.7
109.10140	8.5
119.08521	2.8
121.06458	1.5
121.10124	7.0
123.04401	2.6
123.08089	1.5
123.11710	6.2
125.09611	2.0
129.05467	7.1
131.08566	2.3
133.10115	1.8
134.05379	1.4
135.11668	2.1
145.10110	2.0
151.11142	2.2
153.01813	31.4
153.05446	1.5
165.09119	2.5
166.09331	1.5
167.07018	8.3
178.07277	1.5
193.12186	1.7
211.07291	2.1
223.07472	2.3
223.44344	1.6
235.07510	2.4
258.05185	7.5
265.05145	1.9
271.05856	3.2
279.23135	1.8
286.04779	2.2
299.05502	3.3
311.05389	12.8
315.24890	1.8
335.09290	5.8
345.07489	1.7
359.09085	25.1
361.07074	2.6
363.08627	32.3
371.09250	2.5
373.06946	6.1
375.08447	6.0
387.08612	21.3
388.09396	15.4
391.08066	17.5
403.07941	2.8
407.07144	2.3
415.08054	3.1
416.08768	7.0
419.07455	9.5
431.07526	11.2
432.08313	3.3
433.09103	9.1
435.06924	3.5
444.08356	10.7
445.09210	2.3
447.06985	46.1
449.08292	2.4
450.09390	3.2
461.08649	9.6
462.09378	18.9
465.11707	46.9
477.11691	100.0
495.12720	92.4
495.39157	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.128
Annotation	CHEBI:69451
Peak:m/z	Relative Intensity
50.08042	1.0
55.05505	1.6
56.96560	1.4
60.01854	0.9
61.02909	1.6
67.05476	2.4
69.03405	1.8
71.05003	1.2
77.72888	1.0
79.05470	1.9
81.03421	1.7
81.07038	4.7
85.02892	2.0
89.30575	1.2
91.05474	2.5
92.63346	1.2
93.07038	5.1
95.04962	1.5
95.08566	2.3
103.05458	5.0
105.07017	2.0
107.04958	1.4
107.08595	1.1
111.04545	1.2
117.06939	1.3
118.04134	1.9
131.04901	7.0
131.08643	1.3
132.05681	2.7
132.79832	1.1
138.37682	1.3
140.04655	2.2
146.03610	4.8
153.01831	10.0
161.05878	1.3
162.03107	1.7
163.07712	1.3
167.07053	2.0
176.04680	5.2
177.05493	4.4
178.06239	2.6
191.07005	6.3
192.07675	1.5
203.03328	9.7
229.04810	10.5
241.04936	1.6
241.81766	1.2
242.05702	19.4
253.05009	4.8
257.04376	89.4
258.05164	23.9
269.04364	2.6
270.05142	2.3
271.06042	1.6
285.03976	10.9
285.10059	4.9
286.04633	36.2
287.05386	28.9
297.03925	7.0
299.05490	2.1
327.05063	2.1
341.06711	4.2
462.09467	2.1
465.11710	4.7
477.11850	13.0
495.12714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.128
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00446	0.2
55.05475	0.9
57.03396	0.3
63.21157	0.2
64.33358	0.2
67.05457	1.3
68.99745	0.2
69.03393	0.4
69.07037	0.9
71.04924	0.2
71.15170	0.2
79.05439	1.4
81.03371	0.9
81.07030	2.3
83.04942	0.4
83.08602	0.3
85.02853	0.4
91.05448	2.1
92.47466	0.2
93.07009	1.9
93.80337	0.2
94.38405	0.2
95.04903	1.2
95.08546	1.4
97.06476	0.2
99.04413	0.3
103.05400	0.5
105.06995	1.6
107.04913	0.8
107.08549	1.3
109.06461	0.4
109.10081	1.0
111.04395	0.2
117.06957	0.4
119.08538	1.0
121.06440	1.2
121.10104	0.8
123.04397	0.3
125.02330	0.3
127.16963	0.2
131.08516	0.5
132.05652	0.3
133.02774	0.3
133.10014	0.4
134.03516	0.3
135.04330	0.9
137.05934	0.3
137.09569	0.3
140.04639	0.4
143.08514	0.3
145.10094	0.4
146.03589	0.3
147.04327	0.3
147.11646	0.3
149.05939	0.5
149.09583	0.3
151.07503	0.3
153.01814	4.2
153.05424	4.7
157.10127	0.3
159.11694	0.3
161.05933	0.4
162.03024	0.3
163.03828	0.4
165.05426	1.0
166.06197	0.9
168.07777	1.9
178.06168	0.5
179.06905	0.2
180.07742	0.5
191.06964	0.5
191.27962	0.2
196.07239	0.5
201.05511	0.3
203.03336	7.7
213.05409	0.4
229.04913	8.0
241.05005	0.5
242.05670	3.3
253.04956	0.4
257.04376	100.0
258.05063	4.5
269.04370	0.5
270.05051	0.9
271.06049	0.4
283.05771	0.2
285.03818	4.2
286.04645	8.2
287.05414	9.6
297.03860	6.0
299.05646	0.3
327.04919	0.5
359.08838	0.3
387.08484	0.4
389.06366	0.3
405.09552	0.3
419.07071	0.3
421.09152	0.4
433.09183	0.4
447.07013	0.3
461.08188	0.3
462.09448	0.3
463.10220	0.3
465.11777	3.2
477.11722	1.4
494.28168	0.4
495.12729	61.2
496.13211	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	495.1125
Annotation	Myricetin 5-methyl ether 3-glucoside
Peak:m/z	Relative Intensity
53.03931	1.2
55.01851	0.3
57.03422	1.8
61.02909	2.8
67.05489	0.3
68.99779	0.5
69.03069	0.3
69.03410	5.6
69.65751	0.2
71.04951	0.5
73.02885	0.4
79.05507	0.2
81.03391	2.9
81.07036	1.2
82.62096	0.2
83.01320	0.3
85.02882	14.6
85.06521	0.5
87.04446	0.5
91.03914	0.4
93.06993	0.9
95.04931	0.4
95.08572	0.6
97.02850	4.4
97.06477	0.3
99.04412	0.6
99.08024	0.3
104.32162	0.3
105.07012	0.4
107.08540	1.0
108.02049	0.3
109.02859	3.4
109.10122	0.3
111.00779	1.3
123.04383	0.6
123.67590	0.3
125.09576	0.5
127.03864	2.6
137.02339	1.9
137.05945	0.4
138.03185	0.4
139.03882	4.2
145.04942	1.0
147.04448	0.3
153.01793	9.9
165.01764	2.5
166.02594	0.6
167.03352	2.7
172.77864	0.3
178.22632	0.3
179.03467	0.5
183.02870	0.6
189.05438	1.0
193.04855	1.2
205.04994	0.6
206.05714	0.6
208.03636	0.4
213.05186	0.3
216.04160	0.6
217.04927	4.3
219.02829	4.6
227.03322	0.3
233.04404	1.7
234.05128	0.4
234.99593	0.3
241.04976	0.4
244.03615	2.7
245.04387	6.0
255.02823	0.5
257.32587	0.3
259.06070	1.2
261.03888	1.1
272.03146	0.5
273.03857	5.4
277.07050	1.3
279.23187	0.3
287.05408	1.3
289.03351	4.3
290.04065	2.7
301.03345	8.5
304.05539	1.0
315.04868	0.5
318.03601	13.0
333.05960	100.0
334.06265	0.3
495.17764	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99712	1.5
55.01864	2.8
55.05513	8.8
56.02608	1.6
56.05027	3.1
57.03438	4.5
59.05004	1.9
60.04512	100.0
61.02933	2.3
62.39953	1.7
67.05486	18.5
69.03425	13.9
69.07067	12.3
70.45099	1.8
71.04996	2.2
74.06081	1.9
79.05486	11.7
81.03395	3.6
81.07032	26.1
85.02882	35.7
85.06521	2.2
86.06076	2.0
89.55034	1.9
91.05463	7.6
93.07035	17.5
95.08593	16.1
97.02882	8.4
97.06497	2.6
97.28390	2.0
99.04435	2.4
105.07040	8.3
107.04968	3.5
107.08591	12.6
109.02861	2.9
109.10163	8.2
117.07060	2.6
119.08585	7.6
121.06425	2.0
121.10129	7.6
127.03893	4.0
131.04933	4.4
133.10101	8.0
135.11711	7.9
137.06000	3.3
139.03993	2.0
147.11659	2.9
159.11700	3.6
165.09041	2.2
175.07416	2.8
187.11108	15.7
269.11545	7.8
278.24802	4.2
278.51520	1.9
296.25833	7.5
314.26855	11.0
315.11725	2.1
332.27850	56.5
357.37817	2.0
492.99512	2.1
494.33176	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.3314
Annotation	Unknow
Peak:m/z	Relative Intensity
52.22278	1.0
53.03924	1.1
55.01853	1.9
55.05499	16.5
57.03421	1.7
57.07063	5.2
61.02887	1.3
67.05486	25.9
68.31712	0.9
69.03407	5.6
69.07050	29.1
71.04965	8.6
71.08624	1.1
79.05469	10.6
81.03405	6.0
81.07031	75.0
83.04984	1.4
83.08596	12.2
85.02888	9.0
85.06521	5.3
87.54813	1.0
90.47790	1.1
91.05462	6.6
93.07014	38.6
95.04940	4.6
95.08578	72.2
97.02875	2.0
97.06503	4.6
97.10133	11.8
99.08084	2.4
105.07023	12.1
107.04941	1.9
107.08570	35.9
109.06500	2.0
109.10131	42.1
111.08075	8.2
111.11692	2.7
113.09595	5.5
115.26437	1.1
117.07060	1.1
119.08572	11.8
121.10112	61.1
123.08064	4.8
123.11675	45.2
123.12535	1.8
125.09607	8.6
127.03982	1.1
129.07010	1.2
131.07504	1.1
131.08562	4.4
133.10106	12.8
135.11662	24.8
137.09538	1.6
137.13226	6.3
139.03835	1.4
139.11142	2.4
145.10149	5.0
147.11652	13.5
149.09613	2.1
149.13217	15.6
151.11154	6.0
151.14720	1.2
153.12709	2.2
159.11681	5.0
161.13229	10.6
163.14790	12.9
165.09027	2.1
169.12157	1.6
173.13213	8.8
177.16382	1.5
178.82344	1.3
179.14264	4.1
185.49600	1.3
187.14803	5.0
201.16330	2.0
203.17953	6.5
214.69565	1.2
223.16833	1.5
243.20987	14.1
261.22040	29.2
279.23111	100.0
285.09833	1.2
293.22211	1.2
297.24149	28.2
315.25104	2.2
327.15866	1.2
361.00662	1.2
441.39398	1.1
494.28665	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2592
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.4
55.05509	2.9
57.03434	16.1
57.07055	1.9
63.03781	1.2
67.05491	6.1
69.03418	9.0
69.07050	3.0
70.06937	1.6
71.04977	88.2
73.02876	2.7
75.04464	3.0
79.05465	2.5
81.03384	1.7
81.07035	28.2
83.04979	16.3
85.02891	100.0
87.04461	5.1
89.20543	1.4
91.02239	1.6
91.05466	1.9
93.07023	7.7
95.04969	12.3
95.08580	11.9
97.02860	7.2
97.79955	1.6
103.33760	1.4
105.07017	3.0
107.08571	10.5
109.10140	12.1
111.04414	6.1
115.03899	1.7
119.08555	2.1
121.10075	10.6
123.08033	15.9
123.11681	52.6
125.09628	1.4
127.03873	3.2
129.05467	29.4
133.05031	2.0
133.10092	6.8
147.06503	9.1
151.07541	1.5
151.11168	53.1
169.12207	11.9
269.24573	1.7
273.09671	3.1
279.15884	5.6
287.05460	51.0
297.16946	5.8
360.62781	1.6
397.87109	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58329	0.8
54.81310	0.8
55.05497	2.2
56.01941	0.8
57.03217	0.7
57.03433	11.2
59.04982	1.3
59.42537	0.8
66.06968	0.8
69.03407	1.7
69.07056	15.8
71.04977	78.3
73.02890	1.6
75.04456	5.1
79.66325	0.9
81.07014	3.9
81.46316	1.1
83.04957	11.4
85.02888	100.0
88.85305	0.9
93.07010	1.6
97.02867	3.9
101.06035	1.0
103.52156	1.0
110.37881	0.9
111.04434	5.7
121.23772	0.9
123.11678	10.8
127.03780	1.0
129.05453	26.9
147.06520	10.1
151.11127	10.0
153.01778	3.3
186.61574	0.9
235.17305	1.0
240.03284	1.0
255.08632	1.4
297.16830	7.1
311.04993	1.2
363.08533	1.4
447.06958	4.9
462.09000	1.1
465.11862	2.2
477.11414	6.2
495.12582	7.1
508.10785	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.2593
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97598	1.8
53.03938	2.1
54.81560	1.7
55.01870	1.6
55.05500	11.6
55.05733	1.7
56.05033	4.0
57.03429	14.9
57.55122	1.5
60.04512	96.9
60.56329	1.5
67.05479	16.7
68.84187	1.6
69.03414	12.0
69.07049	7.4
71.04973	72.4
72.04512	2.5
73.02898	6.9
74.06051	2.9
79.05463	12.1
79.42843	1.4
81.03387	2.6
81.07038	29.4
83.04951	8.0
83.08598	3.4
85.02886	100.0
86.06055	2.6
86.09685	2.9
87.04486	2.9
91.05466	8.7
93.06998	12.7
94.06571	2.3
95.04942	3.4
95.08583	16.7
97.02872	11.1
99.04463	2.3
105.07018	4.2
107.04882	1.8
107.08582	10.6
109.02885	3.7
109.10149	8.2
111.04420	2.1
119.08566	3.8
121.10118	6.5
123.11681	17.8
127.03899	2.9
129.05432	23.4
133.10080	3.8
135.11658	3.6
147.06540	4.3
151.11153	30.6
165.08951	1.9
169.12155	3.3
242.84361	1.8
278.24799	7.2
296.25827	6.7
297.16992	7.5
314.26804	7.7
332.27921	47.6
494.26636	2.3
494.33173	42.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1868
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79341	0.2
53.03924	0.2
57.03426	0.3
61.02904	0.5
63.70818	0.2
69.03403	1.4
73.02906	0.3
78.32743	0.2
79.05473	2.1
81.03407	0.5
85.02886	5.6
85.72298	0.2
91.05476	0.4
97.02899	1.8
97.68321	0.2
105.40925	0.3
107.04932	1.3
109.02860	0.3
120.04437	0.4
127.03875	0.4
133.06502	0.2
135.04393	100.0
136.04707	0.9
139.35176	0.2
145.04945	1.3
147.04349	0.3
151.03906	0.2
153.05444	12.4
163.03908	0.3
163.06018	0.2
191.03209	0.3
241.85059	0.3
313.72971	0.2
448.90417	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	494.1867
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	2.4
55.01858	3.3
55.74080	0.4
56.91048	0.4
57.03429	7.3
61.02915	12.1
69.03414	20.5
70.30168	0.5
71.01333	0.5
71.04971	2.9
73.02905	5.4
77.82650	0.5
81.03400	9.4
83.01289	0.5
83.48958	0.5
85.02888	100.0
87.04444	2.5
91.03925	5.5
91.52493	0.5
95.01316	0.7
97.02869	27.2
97.03495	1.0
99.04435	3.8
103.03926	0.5
105.28326	0.5
107.04938	38.8
109.02857	8.8
109.55645	0.5
113.95174	0.6
115.03917	0.9
120.08100	2.1
123.04400	2.9
127.03888	21.4
131.04883	0.6
137.99138	0.5
145.04935	23.8
145.06471	2.5
147.04379	2.7
151.03873	0.6
153.05415	6.0
161.05977	2.0
163.03893	3.6
163.05978	6.3
165.05478	1.2
170.08136	0.8
173.05923	8.5
177.05467	2.4
180.08598	5.8
189.05435	0.6
197.06006	1.3
201.05409	1.0
203.07050	0.6
207.06371	0.6
215.07118	2.4
219.06503	8.1
231.46242	0.6
233.08147	0.9
243.06369	1.0
261.07602	2.8
279.08633	3.8
297.09668	6.1
315.10602	0.6
325.11261	1.1
332.13303	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	494.1761
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47468	0.3
51.96958	0.3
55.25221	0.3
69.03419	0.9
79.67063	0.4
81.03415	0.5
85.02876	2.6
91.89267	0.5
95.01314	4.6
97.02866	0.7
106.06532	1.5
107.04926	4.7
115.05460	0.9
117.05718	0.6
123.04417	2.4
127.03899	0.8
129.01860	0.4
130.06488	5.4
131.04854	0.6
132.04376	2.9
132.08040	3.1
133.05122	0.6
134.05983	27.0
135.04358	0.5
142.06628	0.6
145.06490	0.8
146.05988	2.3
147.04369	2.0
148.07533	4.4
151.03793	0.4
154.23289	0.4
157.06416	0.7
157.07565	5.1
158.05974	12.7
159.06752	2.2
160.07545	18.4
162.05461	80.3
173.05894	3.3
175.08643	8.9
176.07014	0.7
186.05434	7.8
187.07463	0.5
197.05940	2.9
201.05371	0.5
203.08093	3.7
204.06514	100.0
215.06985	2.7
219.16887	0.5
221.09169	25.8
243.06395	2.3
261.07477	2.6
328.60693	0.4
468.95947	0.5
491.18311	0.4
516.68750	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.4403
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55069	4.9
53.03862	4.0
55.05500	12.2
59.32383	4.8
67.05508	12.1
69.07062	42.5
79.05506	19.9
81.07040	100.0
83.08577	22.2
87.38439	4.9
91.05444	9.0
93.07018	45.7
95.08590	69.2
101.22739	4.3
105.07005	33.6
107.08561	44.8
109.10115	43.2
118.12373	5.3
119.08537	34.8
121.10096	43.5
123.11687	20.4
133.10112	12.6
135.11700	21.3
137.13220	19.2
145.10120	8.9
147.11661	21.0
148.58105	6.6
149.13249	22.8
159.11664	7.6
161.13281	8.8
211.06383	5.1
212.09781	5.7
213.16367	5.9
475.42755	10.4
493.43848	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	494.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.9
55.01671	0.4
55.01867	7.0
55.05510	3.8
57.03420	5.3
57.07052	1.0
60.37184	0.4
61.02913	4.8
63.48470	0.5
64.32899	0.4
65.03896	0.5
67.05478	5.6
68.99778	1.9
69.03413	19.0
69.07056	5.0
71.01336	0.8
71.04970	5.1
73.02898	7.3
77.41698	0.4
78.28748	0.4
79.05477	3.8
81.03392	23.6
81.07030	9.2
83.01310	0.8
83.04956	2.7
83.08593	3.7
85.02885	42.3
85.06490	0.6
87.00804	21.2
87.04437	1.0
91.03923	2.5
91.05455	100.0
92.05818	0.6
93.07021	6.0
95.04940	2.8
95.08578	8.1
97.02863	41.5
97.06479	0.5
97.10143	0.9
99.04433	11.4
105.01836	11.3
105.07030	3.4
107.04923	5.2
107.08552	4.9
108.91973	0.4
109.02850	13.8
109.06479	0.6
109.10133	6.3
111.08070	0.7
114.95186	0.5
117.01825	4.1
119.08582	3.3
121.06454	0.7
121.10132	2.4
123.08075	1.0
123.11675	2.5
127.03880	23.3
129.01823	3.0
129.06961	0.5
131.08511	0.9
133.10130	0.9
135.11681	2.5
136.11934	0.6
137.09592	2.4
137.13245	0.7
139.03885	1.9
139.07503	0.5
145.04922	13.5
147.02968	0.4
147.11655	1.0
149.09703	0.6
149.13235	1.1
151.03879	0.6
151.14728	0.5
159.02858	12.4
161.13264	0.6
163.11189	0.8
163.14841	1.9
165.09053	8.4
166.09341	1.8
177.16270	0.6
205.19624	0.9
213.03932	0.6
229.08583	2.4
231.04942	2.6
233.22592	0.7
261.22141	2.1
267.09045	1.2
268.19672	0.6
279.23199	2.7
285.09982	2.3
286.10654	0.7
297.24228	0.8
315.25104	0.8
358.63284	0.6
493.27737	0.9
494.28043	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.4401
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	16.5
57.07066	15.6
67.05494	35.5
67.31624	2.8
69.07057	46.7
79.05471	23.7
81.07040	100.0
83.08609	14.2
86.09500	2.5
90.11929	2.7
91.05463	14.0
93.07028	46.2
95.04942	3.1
95.08583	78.7
97.10171	3.8
105.07011	34.5
107.08581	52.6
109.10143	50.5
116.32201	2.4
119.08577	28.8
121.10114	43.7
123.11669	20.9
131.08542	10.6
133.10104	22.6
135.11685	17.3
137.13272	5.6
145.10129	14.1
147.11708	19.7
149.13251	24.2
157.10202	3.4
159.11612	19.6
161.13223	12.2
163.14857	13.4
171.11726	4.0
173.13240	11.9
175.14825	4.2
177.16405	5.5
187.14825	11.7
189.16376	4.9
191.17987	4.2
201.16444	3.9
203.18040	4.4
213.16463	3.8
215.17888	5.1
217.19521	3.6
227.17801	2.9
229.19542	4.1
233.19157	4.7
475.42810	11.2
493.35507	4.0
493.43890	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.44
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.7
54.92314	1.3
55.05501	23.3
57.07059	2.3
67.05493	31.1
69.07052	43.5
79.05479	20.8
81.07035	100.0
83.08609	11.8
88.68742	1.5
91.05463	17.4
93.07024	61.3
95.04954	2.2
95.08584	85.4
97.06491	1.6
97.10149	2.8
98.27793	1.3
104.75450	1.4
105.06348	2.6
105.07011	39.9
105.50230	1.4
106.36437	1.3
107.08578	59.6
107.32141	1.3
109.06463	2.0
109.10143	62.1
111.08069	1.3
111.11718	13.3
117.06958	2.0
119.08556	42.8
121.10127	45.4
123.11675	25.7
130.60408	1.5
131.08533	9.9
133.10097	24.6
135.11684	27.2
137.09558	1.4
137.13231	6.5
143.08539	2.3
145.10106	11.8
147.11676	21.1
149.13231	30.0
157.10081	2.6
159.11687	16.3
161.13226	21.7
161.86958	1.5
163.14778	14.4
171.11676	6.2
173.13210	9.9
175.14755	11.2
177.16351	9.6
177.77600	1.8
185.13251	1.6
187.14780	10.0
189.16377	11.0
191.17888	1.9
197.13289	1.6
199.14816	2.3
201.16278	5.6
203.17856	7.2
213.16362	2.5
215.18030	5.9
217.19496	9.3
229.19611	5.5
231.21153	1.4
241.19466	2.1
243.21156	2.2
257.22580	2.5
259.24252	2.1
271.23984	2.1
285.25687	2.3
299.27377	1.6
320.52124	1.4
326.28397	1.5
381.34857	1.5
420.23047	1.4
475.42966	13.3
493.43924	41.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.4034
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85780	2.6
53.77735	2.4
54.12797	2.6
55.05498	19.3
57.07059	4.7
58.58721	2.5
67.05494	40.3
69.07048	23.3
70.26756	2.5
71.04954	3.7
76.89764	2.7
79.05471	31.7
81.06592	5.5
81.07033	95.3
82.07384	3.4
83.08607	6.7
85.06517	4.1
91.05453	32.1
93.07021	80.4
95.04951	6.7
95.08582	100.0
97.06530	4.3
97.10155	7.4
105.07007	65.4
107.08572	77.1
108.08897	3.2
109.06474	13.3
109.10142	45.4
111.08025	4.1
117.06992	11.8
119.08543	56.3
120.08840	3.7
121.06609	3.8
121.10123	49.8
123.11639	21.9
131.08554	27.2
133.10106	40.2
135.08047	18.6
135.11702	28.7
137.09563	4.4
137.13246	4.8
143.08559	12.8
145.10091	40.9
147.11682	29.8
149.13231	39.5
157.10118	15.7
159.11659	40.3
161.13248	24.7
163.14819	17.0
171.11693	6.6
173.13191	23.0
175.14749	5.4
177.16270	4.0
183.11595	6.1
185.13297	12.9
187.14754	13.3
189.16313	5.6
191.77599	3.4
199.14880	4.7
201.16415	7.4
203.17961	6.0
213.16266	4.3
215.17874	5.4
217.19435	14.3
227.17854	3.4
229.19295	4.0
257.22565	4.4
289.05466	3.0
331.80066	3.3
408.77417	3.4
475.38934	20.1
493.40341	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	493.4035
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.2
57.07039	5.7
58.00465	3.1
67.05480	41.4
69.07043	21.7
69.43540	3.3
71.04977	7.1
79.05475	35.5
81.07032	97.0
82.10530	3.6
83.08620	8.1
84.04905	4.1
91.05459	41.1
93.07017	90.9
95.04921	9.2
95.08580	100.0
105.07007	95.7
107.08584	81.6
109.06510	21.1
109.10117	52.9
111.08060	9.0
117.06996	17.5
119.08565	93.9
121.10108	50.4
123.11652	14.1
129.06984	7.2
130.07767	4.4
131.08542	32.6
133.10121	51.9
135.11681	21.1
142.07811	5.1
143.08566	8.6
145.10063	50.0
146.65140	3.9
147.11690	34.0
149.13226	17.9
155.08743	4.0
157.10172	9.0
159.11623	36.6
161.13239	27.9
162.21922	5.3
163.14790	7.7
164.95227	4.0
171.11661	7.7
173.13242	23.4
175.14833	7.6
177.16415	3.7
185.13272	17.2
187.14778	18.7
189.16457	8.0
191.17854	4.5
199.14812	5.1
199.81760	3.8
213.16362	7.4
215.17995	6.1
217.19424	6.5
221.41251	4.1
268.63385	3.9
326.02777	4.4
355.62723	4.0
475.39456	6.7
507.20584	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	493.3523
Annotation	Phlomishexaol B
Peak:m/z	Relative Intensity
50.94979	5.1
51.09566	5.5
55.05512	60.2
57.07062	29.4
60.42673	6.1
67.05482	17.7
69.07063	89.5
71.04942	8.0
79.05466	13.1
81.07040	100.0
83.08597	45.7
84.08939	7.1
91.05433	12.2
93.07010	33.6
95.08575	73.0
97.06493	7.0
97.10136	17.0
105.06974	24.2
107.08580	47.8
109.10141	44.5
111.08071	8.2
111.11739	9.7
115.85631	7.7
119.08581	30.8
121.10120	31.2
123.08070	8.2
123.11668	12.8
123.89906	7.9
125.05970	28.6
127.03870	13.9
133.10101	12.9
135.11667	10.7
137.05986	79.1
139.07527	41.6
145.10060	8.2
147.11694	11.7
149.09605	15.6
149.13243	8.7
151.07495	43.1
159.11601	8.3
165.05440	11.9
167.06966	17.1
171.11679	7.5
177.09077	96.8
179.07039	10.9
193.08614	9.2
205.12184	28.6
216.12859	6.5
251.04626	12.2
351.23648	7.9
387.32468	10.9
411.32373	9.6
413.32108	13.5
415.31912	14.8
429.33548	47.5
439.32025	7.7
457.33163	67.3
461.33374	7.2
475.33975	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	493.352
Annotation	28-Homodolicholide
Peak:m/z	Relative Intensity
55.01850	1.4
55.05503	14.9
57.03419	1.0
57.07063	5.5
67.05488	9.2
69.03403	1.1
69.07051	27.0
71.04970	5.8
71.08609	2.3
72.70198	1.2
75.03297	0.9
79.05457	7.8
81.07038	35.2
83.04992	1.1
83.08598	10.1
89.40090	1.2
90.72540	1.0
91.05459	100.0
92.05776	22.0
93.07027	9.9
95.04961	1.4
95.08577	22.6
97.06493	1.8
97.10133	9.6
99.04446	6.0
104.55788	1.2
105.07011	13.0
106.06542	1.7
106.07808	11.3
107.08654	10.2
109.06502	6.8
109.10133	11.8
111.08076	5.1
111.11719	2.4
117.06942	1.3
119.08556	5.4
121.06467	1.5
121.10108	9.8
123.08041	1.6
123.11670	9.0
125.05965	24.8
125.09636	1.0
127.03886	6.7
131.08466	1.9
133.06461	4.1
133.10104	4.7
134.07242	33.6
135.07523	12.7
135.11633	2.3
137.05952	45.3
137.13223	2.0
139.07506	4.5
143.08545	1.1
145.10149	2.2
147.11617	2.0
149.05981	1.4
149.09543	1.1
149.13194	1.9
151.07487	7.6
157.10133	2.2
159.11642	1.7
161.13280	2.1
167.06987	11.4
171.11606	2.1
173.13205	1.3
175.11197	4.3
177.09050	9.9
177.12712	1.5
179.07007	1.2
181.10081	7.0
182.10478	4.5
183.11641	1.2
193.08708	1.6
193.12123	2.0
198.10269	1.2
198.12782	11.8
199.13094	6.7
203.10696	1.2
203.14178	1.2
205.12234	2.1
213.12631	1.6
214.22449	1.1
219.13805	1.3
238.12270	7.3
239.12543	6.6
261.22031	1.2
291.26846	1.9
307.66412	1.1
330.18430	26.6
331.18793	40.1
331.22507	2.2
331.29788	1.2
332.19534	2.5
349.31018	2.5
387.32605	4.7
411.32489	2.7
413.31876	1.7
415.32111	3.7
429.33844	8.1
439.32138	4.8
457.32828	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	493.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11535	2.9
53.03921	5.9
55.01861	16.4
55.05495	51.9
55.57898	2.6
56.96547	3.8
57.03423	22.5
57.07050	4.1
61.02917	5.1
67.05486	86.8
69.03413	7.7
69.07056	30.0
70.61637	3.1
71.04966	7.0
79.05466	49.9
81.03397	65.9
81.07030	100.0
83.04962	25.8
83.08586	38.8
85.02885	23.1
85.06510	5.1
91.05453	46.6
93.07009	74.6
93.08780	2.7
95.04940	31.4
95.08572	55.8
97.02840	3.6
97.06526	7.4
97.10129	13.1
99.04433	4.7
105.07002	51.7
107.04955	27.9
107.08568	53.2
109.06516	14.4
109.10133	44.4
111.04425	6.6
111.08080	14.7
115.13628	3.2
117.06992	20.5
119.08532	39.7
121.02872	14.1
121.06488	15.8
121.10117	27.6
123.04453	4.4
123.08013	25.2
123.11678	20.2
125.09613	7.1
129.06967	12.9
131.08537	24.3
133.06479	4.5
133.10095	23.0
135.08051	13.9
135.11644	28.1
137.09579	6.6
139.03851	12.3
139.07530	3.7
143.08493	5.6
145.10059	26.7
147.08081	3.7
147.11665	18.4
149.09599	19.7
149.13271	5.6
151.07549	6.1
153.12709	5.9
157.10083	14.6
159.08049	3.3
159.11632	5.0
163.11176	17.5
165.09056	34.6
171.11629	4.7
175.11163	14.5
177.09012	3.7
181.12267	4.4
183.11674	4.0
187.07544	3.2
191.10703	3.4
193.12230	18.5
209.11693	11.9
211.13106	10.7
227.12711	12.6
231.18634	3.3
247.13245	7.5
267.15787	7.0
283.15445	6.3
285.09970	7.6
383.22110	4.8
401.23044	4.9
419.91013	3.9
429.33557	15.5
439.31601	4.0
439.80499	4.3
457.33154	14.0
475.26630	26.9
493.27951	49.5
493.34842	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	493.2789
Annotation	Mucronine B
Peak:m/z	Relative Intensity
52.49059	1.3
53.03936	7.1
55.01859	23.3
55.05500	67.0
57.03424	23.3
57.07077	2.4
59.04977	3.2
65.03923	3.6
67.05487	86.8
67.05849	2.9
69.03413	9.2
69.07050	20.2
69.90088	1.2
70.32248	1.3
71.04961	11.1
71.67331	1.7
79.05471	80.9
80.45023	1.6
81.03394	89.8
81.07034	79.7
81.07529	1.8
83.01318	3.2
83.04510	2.6
83.04965	40.1
83.08599	36.4
83.76888	1.5
85.02887	32.8
85.06531	3.5
89.46543	1.7
91.05460	72.5
93.07019	64.7
95.04944	55.9
95.08578	38.7
97.02843	9.2
97.06507	14.5
97.10139	20.7
99.04422	3.5
99.08081	3.0
103.05441	2.1
105.07009	50.2
107.04939	37.8
107.08572	37.4
109.02879	1.9
109.06501	16.2
109.10138	25.7
111.04428	13.7
111.08051	12.7
113.05984	2.6
115.05429	2.0
117.06998	21.1
119.08556	36.0
121.02837	17.5
121.06473	14.4
121.10129	19.9
123.04364	3.0
123.08040	14.0
123.11696	3.2
125.09607	18.5
128.06184	2.4
129.06961	16.6
131.04924	2.2
131.08556	27.4
133.06459	8.7
133.10086	15.9
135.04410	8.5
135.08032	9.5
135.11653	16.1
137.05908	2.9
137.09613	2.1
139.03874	2.2
142.07777	2.8
143.08554	3.0
145.06473	3.4
145.10088	22.3
147.08017	9.3
147.11647	17.4
149.05957	2.7
149.09627	10.7
151.07596	1.9
153.12740	14.6
155.08467	6.0
157.10094	13.6
159.07982	1.9
159.11652	2.5
163.11133	27.1
165.09070	6.1
165.12706	6.0
167.07071	1.9
173.09592	8.3
173.11755	2.3
173.13205	3.3
175.11198	11.3
181.12144	2.6
183.11629	2.4
189.11157	3.2
191.10617	6.2
193.12195	30.4
201.12685	3.6
209.11696	10.1
211.13216	23.0
219.13745	2.0
227.12675	13.4
229.14265	1.9
231.13795	2.2
247.13220	19.3
249.14751	3.5
265.14313	2.0
267.15814	19.1
283.15332	10.1
285.10321	2.2
321.17197	1.8
355.22675	1.6
356.42038	1.9
383.22110	8.3
390.27972	1.6
401.23187	8.6
404.13153	1.6
457.25717	3.2
475.26727	43.8
493.27820	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	0.9
53.03923	4.4
55.01623	1.2
55.01862	19.5
55.05502	41.9
55.90091	0.7
57.03175	1.2
57.03426	20.3
59.04981	3.7
65.03897	1.1
67.05145	1.6
67.05489	38.7
69.03409	5.6
69.07046	9.3
71.04967	11.0
79.05470	50.2
81.03394	63.5
81.07034	48.0
83.01321	12.6
83.04960	28.1
83.08595	28.8
85.02886	37.5
85.06509	3.1
86.20906	0.8
91.05459	51.6
92.09335	2.8
93.07018	46.9
93.07456	0.8
95.04942	32.5
95.08580	19.7
97.02872	6.3
97.06517	6.8
97.10136	7.1
99.04436	4.2
103.05433	1.0
105.07010	33.3
107.04943	16.3
107.08575	24.9
109.06493	14.4
109.10136	4.3
111.04414	4.2
111.08051	7.8
113.05989	1.8
115.05404	1.4
117.06983	12.3
119.04889	1.0
119.08563	26.5
121.06483	5.3
121.10115	15.5
123.08012	12.2
125.05959	1.1
125.09582	4.1
129.06985	13.8
130.07748	2.1
131.08533	12.8
133.06477	3.5
133.10085	8.4
135.08046	4.0
135.11649	9.4
137.09608	2.0
142.07808	4.1
143.08511	4.0
145.06413	1.0
145.10098	17.1
147.07988	3.9
147.11638	10.8
149.09596	5.8
153.12727	1.8
155.08513	1.4
157.10106	11.2
161.05861	1.1
163.11130	20.3
165.12726	1.1
173.09596	4.6
175.11089	9.7
181.12181	1.7
191.10718	1.5
193.12216	22.9
209.11705	4.4
211.13239	24.3
211.15053	1.4
227.12744	1.2
247.12755	0.9
267.15842	4.9
283.15231	1.5
383.22321	1.8
401.23035	1.3
457.25729	1.9
475.26907	8.7
493.27847	100.0
494.28391	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	493.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	6.3
54.00481	3.5
55.01870	11.7
55.05504	48.2
56.96552	5.1
57.03422	30.6
59.04982	4.6
64.32956	5.4
67.05489	81.4
69.03405	7.1
69.07053	33.1
71.04975	10.3
71.64800	4.2
73.02927	4.7
79.05473	75.4
81.03397	100.0
81.07023	82.5
83.01317	6.1
83.04978	33.1
83.08611	37.9
85.02905	35.0
85.06526	9.1
90.54543	6.6
91.05471	59.5
92.09317	16.0
93.07015	93.6
95.04949	57.5
95.08561	44.9
97.02895	9.5
97.06517	9.3
97.10126	9.2
99.16941	5.1
100.61140	5.7
105.07004	58.6
107.04940	37.6
107.08573	53.4
109.06497	21.0
109.10131	35.4
111.04408	8.9
111.08082	10.0
117.06998	19.9
119.08549	52.2
121.02850	12.0
121.06496	20.3
121.10122	29.5
123.04414	5.4
123.08013	11.4
129.06978	11.2
131.08557	28.3
133.06467	10.8
133.10098	22.8
135.11658	35.3
139.03897	11.8
139.11188	5.7
143.08504	5.0
145.10123	31.9
147.08067	8.6
147.11682	21.5
149.05881	5.0
149.09589	11.1
153.12715	9.2
155.76456	5.8
157.10062	10.5
161.09647	5.5
163.11182	25.9
171.11534	6.1
175.11208	6.4
182.04475	5.2
193.12170	40.3
211.13290	30.2
227.12761	24.7
247.13235	22.5
267.15903	29.6
283.15302	18.4
285.10059	7.4
475.26605	52.2
493.27609	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	493.1335
Annotation	Betuletol 3-galactoside
Peak:m/z	Relative Intensity
51.77794	0.9
55.05499	1.6
56.39250	1.1
57.03431	2.0
60.57693	1.0
67.05482	1.3
69.03409	6.1
69.07066	1.5
71.04979	2.1
79.05447	2.0
81.03416	1.3
81.07035	7.1
82.68879	1.1
83.08620	1.1
85.02878	13.5
93.07024	4.8
95.08585	5.9
97.02857	4.5
105.07008	2.0
107.08565	2.1
109.10117	4.2
114.24900	1.0
121.02941	1.2
121.10085	1.7
123.11662	1.3
139.03906	1.6
140.04517	1.3
149.13339	1.4
151.03941	1.9
159.11653	1.3
165.02097	1.3
167.03387	8.2
175.14729	1.3
182.08055	5.6
213.05196	1.2
217.04901	1.5
234.58949	1.3
243.06415	2.2
245.04347	2.1
262.34244	1.2
271.05817	1.7
273.03958	2.2
287.05460	5.0
288.06342	4.4
299.05838	1.7
301.03387	11.5
315.04938	10.2
316.05716	46.1
331.08044	100.0
347.07578	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	492.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	8.1
55.01855	12.5
55.05508	9.6
57.03426	9.1
57.07065	2.9
61.02912	6.7
67.05495	15.2
69.03413	29.8
69.07048	14.6
71.04978	10.5
72.61226	1.4
73.02890	3.3
79.05470	19.9
81.03394	31.2
81.07036	70.4
81.86362	1.4
83.04963	19.3
83.08593	7.0
85.02888	65.4
85.03368	3.2
85.06528	3.0
87.00809	29.0
87.04443	2.3
91.05471	14.0
93.07019	29.6
95.04945	84.8
95.08569	18.5
97.02867	27.6
97.05981	1.6
97.06493	12.4
98.64369	1.5
99.04425	21.3
105.01846	16.4
105.07001	40.1
107.08574	37.1
109.02857	28.2
109.06493	86.9
109.10133	38.0
111.08085	3.8
117.01814	3.1
117.06973	2.2
119.08543	25.4
121.06490	1.9
121.10117	36.0
123.08053	10.4
123.11663	13.6
125.09634	1.8
127.03886	35.4
129.01814	2.1
129.06949	2.2
131.08542	28.9
133.10100	100.0
135.08032	12.3
135.11635	15.4
137.09529	2.1
139.11136	23.8
141.09180	2.0
143.08560	4.0
145.04950	9.0
145.10089	18.7
147.11658	19.0
149.09602	2.4
149.13231	30.0
151.11150	9.0
153.09062	26.5
158.10912	17.7
159.02863	10.3
163.11201	1.9
163.14716	2.1
165.12749	2.9
173.13232	61.7
191.14262	69.0
191.15889	3.1
209.15332	49.9
227.09152	3.7
227.16325	9.4
231.04898	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	492.2437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	1.3
55.01846	1.0
55.05500	34.8
57.03426	1.5
61.50010	0.8
63.19788	0.9
67.05478	6.2
69.03422	9.4
69.07028	2.2
70.06537	1.3
71.04988	1.8
72.08144	1.8
78.23888	0.9
79.05463	4.5
81.03374	1.6
81.07044	9.9
83.04963	34.5
83.08601	25.7
84.96027	1.0
85.02879	14.9
85.06532	2.4
86.09679	1.4
87.00797	6.6
90.94756	1.0
91.05441	2.0
93.07014	6.7
95.04935	11.1
95.08575	5.5
97.02870	5.3
97.06487	5.5
97.10141	5.6
99.04430	4.1
102.56488	1.2
105.01820	2.4
105.07011	7.0
107.05033	1.2
107.08572	15.8
109.02866	2.5
109.06490	6.5
109.10148	16.7
111.08067	8.6
119.08540	2.3
120.08026	1.0
121.10102	7.1
123.07980	1.2
123.11674	6.1
125.09571	7.3
127.03877	6.2
131.08499	2.2
133.10112	13.0
135.08031	6.3
135.09108	1.2
145.10107	2.0
147.11671	1.4
149.09555	1.3
149.13206	6.8
151.11162	27.7
153.09071	2.3
159.02917	1.4
167.14282	41.9
173.13205	5.7
191.14273	4.6
209.15334	100.0
227.16328	2.6
321.53265	1.1
335.60767	1.1
383.48444	1.1
480.72144	1.1
482.01932	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1346
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
55.05501	1.4
56.96519	0.3
57.03419	2.0
58.49289	0.3
69.03408	1.9
71.01308	0.4
71.04968	1.6
75.99617	0.4
79.01847	2.4
81.03381	0.7
83.04961	5.5
84.08121	2.2
85.02890	9.3
85.06542	0.6
91.05461	0.6
95.04963	0.6
97.02865	1.8
99.04417	0.5
105.03389	0.6
107.01292	0.6
107.04915	0.6
109.02872	1.6
111.04415	3.5
112.07565	0.4
113.02277	0.4
121.02818	0.4
121.06483	0.8
121.96771	0.3
122.05942	0.5
123.00758	0.8
123.04350	0.5
125.02306	4.2
127.03851	1.6
129.05446	0.4
131.06982	0.4
133.85777	0.3
135.04419	2.6
139.03896	1.6
141.01801	38.6
143.03369	6.7
144.10182	1.7
145.02782	0.6
147.04385	1.4
152.49698	0.4
153.01804	100.0
153.02821	3.8
157.04916	4.3
161.02966	0.5
161.05966	0.4
163.03848	7.8
164.74980	0.4
168.06548	0.6
171.02884	3.6
172.09692	0.8
175.06046	1.3
177.05511	0.7
181.04935	0.8
189.05487	0.7
200.09138	0.6
205.05029	0.5
212.09131	0.3
213.05405	1.7
219.01439	0.4
222.07370	0.7
231.06444	0.5
235.05975	1.4
237.02774	0.4
240.08377	0.7
249.07703	0.5
256.14395	0.4
259.06024	0.5
269.06491	1.2
275.10956	36.1
277.06952	0.8
295.07983	0.5
311.03894	4.8
341.08841	0.5
418.18881	0.5
425.34076	0.3
439.08685	2.3
446.18222	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	492.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
54.81221	0.6
55.01864	2.9
56.09757	0.6
57.03424	1.5
58.85942	0.5
61.02914	2.7
69.03409	4.9
70.21337	0.6
73.02899	3.0
81.03378	1.4
85.02885	18.9
89.03889	0.9
91.05447	0.8
94.10403	0.8
95.01294	0.9
97.02866	4.6
103.03916	7.3
105.07000	3.6
109.02854	0.9
111.04414	2.7
114.06819	0.6
115.05432	4.0
116.79348	0.7
117.03371	1.3
125.62645	0.7
127.03866	3.1
129.06956	1.0
131.04927	3.2
133.06438	3.3
135.04381	13.7
136.40054	0.6
137.02313	1.4
139.03879	11.9
140.06660	0.7
141.06953	3.1
143.04887	12.3
145.02823	2.9
145.04889	1.4
145.06480	1.0
147.04373	18.5
149.05962	3.2
157.06483	4.2
159.04382	0.9
161.05943	37.7
163.03864	100.0
165.05440	4.5
167.04845	1.1
169.06445	2.7
171.04384	5.5
171.07480	0.6
173.05945	4.4
175.03867	12.9
175.07503	3.7
177.05434	6.8
179.03290	0.8
181.04907	4.2
185.05962	6.5
187.03886	3.8
187.07544	0.9
189.05428	44.8
191.03374	4.5
191.06885	0.7
193.04915	35.1
197.05989	0.9
199.03914	2.9
201.05418	3.4
203.07002	5.6
205.04939	7.3
207.06557	4.2
213.05437	22.9
215.07045	4.2
217.04932	14.3
219.06409	1.0
229.04936	0.8
231.06459	18.4
233.04262	1.3
235.05959	29.5
237.57027	0.7
241.04959	2.6
247.06032	2.7
249.07587	1.2
259.05951	19.8
277.06989	13.2
295.08051	64.6
297.55853	0.7
338.41159	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.4241
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00312	1.1
53.03931	2.3
54.23700	1.0
55.05503	20.5
57.07053	2.6
65.03933	2.8
67.05492	42.2
68.96535	1.1
69.03369	1.6
69.07055	32.6
79.05051	1.7
79.05472	27.2
81.07038	100.0
83.08622	10.6
85.06500	5.3
91.05457	24.4
92.08673	6.1
93.07021	81.7
95.04935	7.3
95.08585	83.8
97.06494	1.6
97.10127	3.1
105.06360	2.5
105.07015	46.1
107.08582	82.1
109.06495	6.5
109.10146	52.6
111.08034	2.0
111.11707	1.6
114.36834	1.3
117.06996	3.0
119.08559	54.5
121.10119	47.4
123.08042	1.8
123.10488	1.2
123.10830	1.4
123.11662	17.8
125.09589	1.7
129.07004	4.7
131.08542	17.4
133.09187	1.9
133.10110	31.0
135.11670	26.5
135.13235	1.5
137.13264	2.5
143.08549	9.4
144.09322	2.2
145.10097	28.4
147.11659	32.3
149.13232	27.3
155.08524	1.6
157.10063	14.4
158.10707	1.7
159.11678	30.8
161.13232	21.1
163.14780	14.6
165.12721	1.8
171.11626	11.2
173.13277	15.0
175.14726	12.0
177.16350	6.7
183.11569	2.4
185.13220	8.8
187.14795	14.0
189.12718	1.5
189.16344	8.7
197.13165	2.3
199.14742	7.4
201.16325	8.9
203.17926	8.6
205.15910	1.6
211.14841	1.7
213.16313	8.0
215.17876	6.4
217.19496	7.0
225.16255	1.5
227.17809	3.3
229.19519	3.3
231.21100	1.9
241.19455	2.5
245.30295	1.4
253.19612	1.9
255.20979	2.5
257.22427	1.6
269.22507	2.1
271.24173	1.4
283.24048	1.9
329.28293	2.6
387.04709	1.3
438.82867	1.6
473.41318	13.1
491.42557	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	491.4245
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.6
54.28635	2.3
55.05499	22.3
57.07062	3.4
65.31326	2.4
67.05490	41.1
69.07049	31.4
71.04984	2.5
71.39773	2.3
75.19857	2.8
79.05460	29.7
81.07037	100.0
83.04961	4.2
83.08602	12.7
88.67081	2.4
91.05460	30.1
93.07021	74.8
95.04963	5.2
95.08587	71.5
105.07012	55.9
107.08568	64.8
109.06486	4.5
109.10137	54.6
114.76069	3.4
117.06992	4.6
119.08554	61.8
121.06473	4.9
121.10114	53.7
121.38724	2.8
123.08025	4.8
123.11674	15.1
129.06955	4.5
131.08549	16.8
133.10094	32.5
135.11681	33.5
137.13234	5.3
143.08566	5.6
145.10095	27.6
147.11676	22.3
149.09593	4.3
149.13237	19.8
157.10132	11.0
159.11664	34.6
161.13228	20.9
163.11128	2.8
163.14754	13.9
169.10013	3.2
171.11606	16.8
171.53975	3.4
173.13260	11.7
175.14806	5.6
185.13225	6.1
187.14772	12.1
189.16374	5.6
199.14752	5.8
201.16307	5.0
203.18001	3.3
213.16457	3.1
215.17929	4.3
217.19516	5.0
283.13446	3.0
358.50534	3.1
473.41211	4.1
491.42538	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.4243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.97330	2.9
55.05495	20.0
57.07062	3.3
59.07752	2.6
60.02021	2.7
67.05486	40.4
69.07050	27.2
79.05472	32.5
81.07035	96.0
81.07478	5.4
83.08605	5.4
85.08871	2.6
91.05460	32.6
92.87070	2.9
93.07020	73.2
95.04931	4.2
95.08585	100.0
97.06500	4.0
97.10181	3.7
105.07023	59.5
107.08572	69.5
109.06506	5.8
109.10149	50.3
117.07056	4.6
119.08553	58.9
121.10120	50.0
123.11691	19.7
131.08539	14.3
133.10118	28.3
135.11658	34.0
137.09564	3.1
137.13272	3.4
143.08531	6.2
144.09406	4.3
145.10060	28.9
147.11682	30.0
149.13255	23.3
157.10037	6.0
159.11673	35.4
161.13234	18.2
163.14796	5.6
171.11717	5.6
173.13223	15.4
175.14743	7.1
187.14767	13.5
189.16309	6.3
199.14850	4.9
201.16409	6.8
203.17911	12.3
211.14841	6.1
213.16425	6.4
215.17978	3.1
324.43793	3.0
473.41107	15.9
491.35754	6.0
491.42505	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.2636
Annotation	Unknow
Peak:m/z	Relative Intensity
51.26455	2.1
53.03932	6.1
55.01870	29.5
55.05503	43.7
57.03421	12.8
59.04996	2.9
67.05495	40.2
69.03417	3.6
69.07048	10.4
69.91816	2.4
71.04971	5.4
74.16650	2.3
79.05477	42.7
81.03409	25.1
81.07041	55.0
83.01333	21.2
83.04974	44.1
83.08588	20.7
85.02888	6.3
85.06524	2.5
91.05460	40.4
93.07027	62.0
95.04970	24.0
95.08578	21.1
97.06491	11.3
97.10139	3.8
99.04436	4.7
105.07011	31.2
105.68749	2.7
107.04948	19.6
107.08603	28.4
109.05816	2.8
109.06518	17.1
109.10133	10.4
111.04425	3.7
117.06992	19.8
119.08530	20.4
121.06449	5.5
121.10131	19.5
123.08049	12.1
125.05897	2.9
125.09624	3.6
131.08568	6.2
135.08171	4.1
135.11639	20.7
145.10104	25.8
147.11801	3.1
153.12721	12.8
156.50914	2.5
163.11145	49.7
165.09096	2.6
173.09579	6.4
174.25258	2.5
181.12253	5.8
191.10655	3.4
200.57825	2.6
209.11810	10.1
227.12737	12.9
242.59895	4.1
271.20074	2.7
281.53647	3.0
431.25562	3.3
491.26208	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.3575
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.9
53.03941	0.9
54.05535	0.4
55.01880	0.5
55.05502	27.1
57.03421	1.7
57.07065	14.8
59.04984	0.5
61.02915	1.1
65.03907	0.7
67.05490	32.4
69.03415	2.7
69.07052	65.5
71.04971	2.1
71.08614	5.6
73.06542	0.5
77.14961	0.4
79.05470	8.1
80.80431	0.4
81.03398	0.6
81.07034	100.0
83.08599	32.2
85.02885	11.1
85.06525	14.3
85.10163	3.3
91.05463	3.5
93.07013	13.4
95.04940	3.0
95.08578	97.9
97.02855	2.5
97.06525	0.5
97.10144	21.4
99.08057	7.6
105.06985	3.5
107.08570	18.2
109.02851	0.6
109.06516	1.1
109.10134	60.4
111.08054	2.0
111.11694	14.3
113.09610	2.0
115.11192	0.4
117.07027	0.7
119.08547	3.6
120.89661	0.4
121.10112	9.0
123.08057	0.7
123.11669	27.6
125.09565	0.7
125.13230	5.5
127.03838	0.6
127.11179	0.9
129.12679	1.0
131.08548	1.1
133.10089	1.2
135.11676	8.4
137.09593	0.5
137.13232	12.8
139.14769	0.6
143.14304	2.3
145.04887	1.0
145.10033	0.6
147.11674	0.7
149.09610	1.1
149.12047	0.6
149.13220	11.1
151.14799	9.2
157.15799	0.6
159.11655	0.7
161.09465	0.6
161.13242	0.6
163.14801	8.0
165.09074	6.9
165.16350	7.3
167.14175	0.4
169.10066	0.6
169.15826	1.7
173.13167	0.7
177.16342	1.9
179.17870	3.5
183.17401	2.6
191.17900	0.9
192.51717	0.5
193.19408	0.8
199.20506	1.0
201.53964	0.5
205.19511	2.0
209.18907	0.6
211.20502	0.8
219.20999	2.8
230.39691	0.5
249.25504	0.5
275.27277	5.6
281.28345	5.7
293.28323	11.7
311.29318	5.7
329.10031	2.1
401.30447	0.6
491.29282	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	490.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.05265	0.8
55.05506	14.2
69.03398	0.8
71.04939	0.6
73.06530	7.5
81.07034	1.9
85.02885	4.0
85.85001	0.6
91.05446	1.0
95.08630	0.6
97.02832	1.2
98.97571	0.9
107.04932	0.6
109.10108	0.7
121.02844	2.7
123.04372	0.5
123.08021	0.5
127.03865	0.4
128.31929	0.5
129.06970	0.9
131.08513	2.5
133.06464	0.8
136.91997	0.5
149.02321	100.0
153.01802	1.0
159.08101	0.6
161.05984	3.3
165.05463	2.8
165.12695	0.5
166.21175	0.6
167.03372	1.2
175.07515	12.9
190.42764	0.6
203.07014	11.1
208.68121	0.6
221.08064	2.6
237.02512	0.6
243.10237	0.5
256.96979	0.6
275.12686	3.9
292.08804	0.5
293.13763	24.8
293.80447	0.5
299.30374	0.6
313.04745	0.5
334.59177	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	491.1546
Annotation	5-Methoxyafrormosin 7-O-glucoside
Peak:m/z	Relative Intensity
54.45461	0.6
55.05511	0.9
56.96560	0.6
57.03428	0.7
62.11046	0.7
67.05506	3.5
68.00285	0.6
69.07054	2.5
71.04959	0.6
74.80253	0.6
76.55870	0.5
79.05481	2.4
81.07050	4.7
83.04977	0.8
85.02895	1.2
89.13802	0.6
91.05469	2.8
92.22434	0.6
92.27727	0.7
93.07025	4.1
95.04938	1.0
95.08594	2.9
105.07018	3.4
107.04959	2.7
107.08575	2.5
108.02068	5.5
109.06511	0.8
109.10156	2.7
119.08581	1.3
120.08082	1.2
121.06480	1.0
121.10125	2.5
123.04413	0.9
123.08022	0.6
123.11658	0.9
125.05932	0.9
125.09617	0.9
131.08595	1.1
132.05728	3.7
133.06448	8.1
133.10120	2.5
135.04417	3.7
135.11682	1.0
136.01532	2.3
139.03909	1.4
145.10048	1.0
149.09633	0.9
154.02617	4.8
159.11722	0.9
165.09103	2.7
165.63110	0.7
187.14847	0.6
197.05957	1.0
240.07756	5.6
243.10081	2.4
268.07254	55.6
285.07321	1.0
296.06741	44.3
297.07507	0.6
299.05334	0.9
311.18784	0.8
313.07053	1.0
314.07755	25.9
329.10144	100.0
491.15515	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	489.2957
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	11.8
56.96550	2.6
57.07058	1.4
62.76154	1.1
67.05502	20.6
69.07049	10.2
71.04998	2.4
79.05459	11.6
81.07043	28.7
83.08624	5.8
85.02895	2.0
91.05475	7.9
92.61111	1.2
93.07024	17.0
95.04955	1.3
95.08584	26.6
97.06541	1.7
97.98733	1.2
98.97559	1.5
105.07022	10.1
107.04923	1.7
107.08574	12.5
109.06519	1.5
109.10160	12.1
115.05473	1.4
117.07007	2.6
119.08562	4.8
121.10132	7.8
123.11672	3.1
129.07040	2.1
131.08525	2.4
133.05182	2.1
133.10149	5.3
134.06010	7.5
135.11647	4.7
136.51576	1.4
139.03954	1.4
145.06525	1.9
145.10127	1.6
146.05991	64.5
147.06769	5.1
148.07523	13.3
156.08076	3.0
159.06767	7.3
159.07994	2.2
160.07550	100.0
161.13243	1.5
162.05450	20.1
167.07166	2.4
168.08107	1.4
170.05905	10.1
171.06790	6.4
172.07532	26.0
174.09120	7.1
175.08722	1.3
176.07054	1.7
183.06766	23.6
184.07533	45.3
185.08360	7.8
186.05467	6.4
186.09085	17.3
191.07120	1.5
196.05714	2.8
196.07549	87.3
197.08273	9.4
198.05463	2.2
198.09116	28.8
199.06316	6.0
200.07092	5.2
200.10724	5.7
204.06549	18.0
209.08578	1.4
210.09100	14.6
211.09848	1.3
212.07133	6.3
212.10698	6.3
214.08667	2.8
216.06609	5.1
218.08124	5.6
220.07797	1.4
222.09149	8.0
224.07112	7.2
224.10698	8.2
225.07918	6.9
226.08665	2.1
226.12363	1.5
236.10712	6.4
238.08653	2.0
238.12245	4.3
242.08081	10.4
251.19926	1.4
252.13786	1.5
291.16220	6.7
309.17300	44.1
313.07791	1.6
327.18344	27.6
380.25681	2.5
390.24295	9.5
394.23590	6.9
396.25519	2.0
398.26816	17.1
408.25320	10.2
410.26822	2.2
416.27823	11.2
418.23746	26.9
426.26337	2.9
436.24615	19.3
454.25775	49.2
471.28552	26.8
472.26920	59.7
480.37015	1.4
489.23370	19.9
489.29538	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	489.4086
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	3.8
54.81316	3.2
55.05498	22.4
56.21693	3.1
57.07065	5.3
67.05488	44.5
67.66319	3.2
69.07067	29.9
79.05469	37.5
81.07036	100.0
81.07478	6.0
83.08608	13.8
88.94124	3.0
91.05477	35.0
92.08856	27.9
93.07015	77.5
95.04935	3.4
95.08577	83.0
97.10158	7.0
105.07015	66.7
107.08566	65.3
107.59953	3.1
109.06513	7.7
109.10143	49.6
111.08094	4.3
117.06966	4.7
119.08558	61.8
121.10096	59.0
123.11666	12.4
129.06897	5.6
131.08545	26.8
133.10117	33.7
135.08052	4.4
135.11649	25.8
143.08574	12.9
145.08295	3.5
145.10103	36.9
146.28699	3.7
147.11682	33.1
149.13245	18.0
155.08476	3.8
156.09337	4.3
157.10089	15.1
159.11641	40.1
161.13225	24.7
163.14822	16.0
169.10095	4.7
171.11650	13.9
173.13246	17.9
175.14804	7.0
183.11713	5.4
185.13254	14.0
187.14822	8.1
189.16225	3.9
192.88028	3.2
197.13188	13.2
199.14804	13.1
201.16331	6.9
203.17941	5.2
209.13345	4.0
213.16368	5.0
215.17867	14.5
227.17952	5.6
229.19514	4.7
255.21187	4.7
296.65494	3.8
415.20108	4.3
471.40005	7.2
489.34464	4.2
489.40878	67.6
497.75302	4.1
509.95447	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	490.134
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01867	0.7
55.05499	0.8
56.05021	1.5
56.58219	0.3
57.03421	0.3
60.04506	1.4
61.02908	0.8
63.92632	0.3
67.05490	0.6
68.05016	0.7
69.03412	3.6
69.07026	0.4
70.06567	0.5
71.04968	0.8
72.04482	0.5
80.04998	0.8
81.03394	4.6
81.07034	0.7
82.02934	0.4
82.06547	0.6
83.01295	0.5
83.04961	0.7
84.04491	16.0
85.02868	1.7
93.07041	0.7
95.04932	0.4
95.08574	1.3
96.04470	20.8
97.02871	5.5
98.06033	9.7
99.04424	2.0
101.02370	0.4
105.07038	0.4
107.08573	0.6
108.04449	0.7
108.47272	0.3
109.02868	6.8
109.10201	0.4
114.05509	0.6
119.08559	0.4
121.10155	0.3
124.03970	0.7
126.05492	23.6
127.03894	2.5
133.10135	0.6
138.05479	100.0
144.06537	23.6
153.01808	1.4
153.05542	0.4
153.06740	0.4
167.09091	0.3
168.06525	13.9
179.07013	0.4
186.07591	11.8
204.08644	15.4
217.75272	0.3
275.16565	0.4
287.05426	19.7
293.13736	0.3
293.17197	0.4
301.55606	0.4
347.09058	0.4
377.01953	0.5
432.74133	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	489.2955
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90190	2.7
51.46882	3.1
55.05495	16.5
55.47023	2.7
56.96556	6.1
57.03419	5.1
57.07079	3.9
67.05480	34.4
69.03405	7.8
69.07054	32.8
70.06561	4.4
71.04983	34.6
79.05468	21.4
81.07040	67.6
82.07392	3.5
83.04950	5.6
83.08588	5.5
85.02881	32.3
85.06539	5.8
91.05469	25.0
93.07029	30.8
95.04971	6.1
95.08595	45.1
97.02879	4.9
97.06495	5.1
98.97578	4.4
105.07003	20.0
107.08572	25.0
108.00315	3.7
109.10142	26.3
111.08056	3.9
117.06973	6.8
119.08533	19.7
121.10114	21.4
123.04354	4.1
123.11692	17.1
125.06020	4.6
125.09545	5.0
131.08504	4.1
133.10098	6.8
134.05972	3.7
135.11610	5.4
143.00096	5.4
145.10049	5.4
146.05998	61.9
148.07567	8.7
151.11183	4.2
158.06017	4.1
159.06830	5.6
160.07536	89.5
161.01187	5.0
162.05418	20.4
170.06039	5.6
172.07503	13.7
183.06799	19.7
184.07524	49.0
186.09108	22.6
196.07538	100.0
197.08345	16.5
198.09109	23.1
200.06989	4.3
204.06532	14.1
210.09093	13.9
211.09830	3.7
222.09039	7.2
236.10941	11.3
242.08076	7.1
309.17166	7.0
390.24185	6.6
394.23801	5.9
398.26736	18.9
416.27737	13.4
418.23593	30.1
436.24673	22.4
454.25790	54.2
471.28372	29.1
472.27011	47.9
489.29633	73.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85922	0.2
53.03931	0.3
61.67387	0.2
62.07787	0.2
62.31557	0.2
68.28526	0.2
69.03407	0.5
79.05474	1.2
81.03394	1.9
81.07043	0.3
83.03135	0.2
85.02890	0.4
94.47415	0.3
95.04881	0.3
103.05431	0.5
105.07010	100.0
106.07330	0.5
109.02835	2.2
122.09641	33.4
127.03916	0.5
146.05968	0.3
158.40199	0.2
159.02975	0.3
169.12173	0.3
180.58966	0.2
187.03430	0.3
187.13246	0.3
195.08615	1.0
278.11139	0.3
362.26572	0.3
398.31360	0.3
403.95956	0.3
454.46597	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	488.2124
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17441	1.0
53.03939	8.4
55.01852	5.0
55.05494	1.2
57.03426	1.1
61.02912	9.5
65.03923	4.6
67.05489	6.8
69.03413	1.4
71.55875	1.0
71.82057	1.2
72.08121	1.5
75.04449	2.3
79.05464	2.8
81.03381	2.1
85.02879	6.5
86.09669	4.7
91.05462	10.5
91.92183	1.2
93.03407	9.0
93.07016	5.8
95.04945	100.0
97.06501	1.3
103.05448	5.7
105.04482	5.7
105.07002	2.0
106.04161	21.2
107.04931	7.1
108.02044	1.8
109.02870	1.1
109.06475	1.4
111.04445	1.6
111.08072	1.5
113.43233	1.1
116.09676	1.3
117.09103	1.2
119.04901	1.7
121.05617	1.6
121.06470	25.8
123.04405	97.5
125.05953	6.9
127.03816	1.4
127.07495	2.8
130.15904	6.0
131.04926	2.5
133.02827	1.5
133.06451	2.2
134.03592	5.6
135.04379	1.5
137.05933	2.8
139.03867	6.3
140.04660	31.2
141.61456	1.2
147.04367	2.2
148.05144	1.6
149.05965	35.4
151.07478	1.7
153.09085	9.2
155.07001	51.3
159.04361	1.4
161.02939	2.0
161.05934	5.7
163.03851	4.2
167.07004	23.9
177.05415	21.7
180.07831	1.8
181.08565	13.7
183.04811	2.3
183.06490	62.5
191.06953	4.1
192.07828	4.1
193.04932	1.7
193.08620	3.9
195.06490	6.9
209.06052	2.2
209.08052	59.4
210.08467	1.9
227.08983	1.6
243.08714	1.8
310.28894	1.4
337.61249	1.4
362.31113	1.3
435.16367	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.3626
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72773	1.0
53.00309	0.9
53.03931	1.8
55.01866	1.2
55.05505	25.6
56.96547	1.7
57.03431	2.4
57.07057	7.4
59.04982	1.9
64.49464	1.1
65.92793	1.0
67.05489	36.2
67.17001	1.1
69.03415	6.2
69.07047	34.2
71.04963	6.3
79.05463	20.6
81.03412	1.3
81.07033	100.0
83.04960	13.3
83.08576	11.2
85.02890	5.0
85.06533	8.3
91.05447	17.4
92.09317	1.6
93.07018	53.6
93.51589	1.1
95.04938	7.1
95.08578	66.4
97.06490	8.6
97.10146	5.4
99.08079	2.5
105.04514	1.1
105.06355	1.8
105.07012	30.1
107.04938	1.7
107.08565	55.5
107.77350	1.1
107.87550	1.1
109.06481	14.1
109.10135	58.9
111.04445	1.5
111.08043	9.6
117.07012	5.7
119.08553	36.7
121.06453	4.3
121.10112	42.8
123.08041	30.5
123.11673	36.3
125.05944	2.6
125.09589	4.4
127.11128	2.1
128.06195	1.1
129.06949	2.1
131.08548	13.6
133.06377	1.7
133.10098	24.9
135.08011	16.3
135.11668	28.3
137.05946	16.8
137.09615	5.6
137.13239	6.7
139.03886	5.6
139.07507	2.7
139.11203	1.6
142.07719	2.0
143.08533	10.0
144.09280	2.2
145.10088	20.0
147.08066	2.4
147.11646	24.3
149.09569	10.2
149.13243	9.0
151.07596	1.9
151.11194	2.0
153.12733	1.5
155.08464	1.6
156.09334	2.8
157.10106	22.2
158.10931	1.4
159.08035	2.5
159.11641	22.9
161.09608	12.1
161.13242	13.7
163.11101	9.9
163.14772	2.0
165.09117	1.5
165.12715	5.2
169.10176	2.0
170.10861	2.5
171.11649	10.2
171.13780	1.5
173.13164	9.7
175.11127	12.8
175.14801	7.1
177.12729	8.5
177.92041	1.2
179.10715	1.3
183.11636	7.0
185.13185	10.3
187.11140	7.5
187.14760	4.7
189.12706	10.5
189.16336	2.0
191.14336	2.4
197.13203	2.4
199.14742	1.5
201.12721	2.7
201.16284	1.9
203.14258	17.6
203.17862	2.8
207.17393	1.2
211.14839	2.6
213.16408	5.1
215.14308	1.5
215.17966	1.5
217.19345	1.1
221.18872	1.8
225.16328	1.5
227.17915	2.0
229.15887	1.9
231.17393	6.8
233.18875	2.8
237.00594	1.7
239.20033	4.8
243.17430	2.8
245.18912	8.2
247.20541	2.1
255.17442	1.5
257.18991	4.3
259.16943	2.9
263.20032	4.8
273.18301	2.9
287.23550	2.4
293.20898	1.4
379.29950	8.8
397.31006	28.5
415.31906	71.8
433.33145	18.7
451.33588	1.6
481.54269	1.5
487.32660	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	487.1919
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.6
54.81055	0.2
55.01876	1.7
57.03428	2.4
59.04977	0.4
61.02903	1.0
64.32590	0.2
65.48282	0.2
69.03416	12.8
70.06550	0.3
71.01327	0.4
71.04617	0.2
71.04976	4.4
73.02895	0.8
75.04442	0.2
81.03400	14.9
85.02881	1.2
86.09676	0.3
87.04414	0.4
91.05448	0.4
97.02858	0.3
99.04433	5.5
116.05001	0.3
116.98600	0.2
117.05455	1.3
118.06509	3.3
127.03922	0.3
130.06505	0.3
137.05997	0.2
145.07581	5.5
147.04416	0.4
147.09155	7.2
148.04691	0.2
152.41869	0.2
153.01764	0.2
161.07043	0.2
162.07802	0.9
163.08640	0.9
173.07076	11.0
175.08633	7.8
184.07239	0.4
191.08119	100.0
192.08450	0.4
205.05376	0.3
205.09644	0.5
213.10133	0.4
215.11752	0.5
223.06383	0.5
231.11290	0.5
233.09142	0.9
243.11104	0.4
265.07355	0.5
268.35101	0.3
271.10806	0.3
273.86115	0.2
283.08383	1.4
289.11801	1.7
299.05679	0.2
307.12839	16.0
321.97202	0.2
325.13876	41.2
326.99042	0.2
427.12579	0.2
439.82364	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24728	0.1
52.64108	0.1
53.03936	1.5
55.01865	2.1
56.96557	0.1
57.03427	2.7
59.04971	0.3
61.02890	0.9
63.07005	0.1
65.72334	0.1
69.03411	13.0
70.06575	0.3
71.01308	0.9
71.04606	0.2
71.04974	4.9
73.02877	0.7
75.04460	0.2
81.03397	15.9
84.08110	0.1
85.02892	1.6
86.09672	0.3
87.04421	0.3
91.05452	0.2
95.04981	0.2
97.02843	0.3
98.97556	0.3
99.04427	5.9
107.59777	0.2
116.04945	0.2
116.98584	0.3
117.05468	1.0
118.06509	2.5
122.82399	0.2
123.04414	0.3
127.03862	0.2
130.06499	0.3
137.05991	0.3
145.07576	5.0
147.04401	0.6
147.09152	7.2
148.04816	0.2
148.06339	0.2
159.09029	0.3
162.07841	0.7
163.03906	0.2
163.08618	1.4
173.07071	12.4
175.08626	7.4
179.03391	0.4
184.07402	0.4
187.08592	0.3
191.08115	100.0
192.08423	0.7
205.05376	0.3
205.09717	0.4
208.09746	0.3
215.11731	0.7
223.06366	1.0
231.11160	0.3
233.09117	1.1
243.11194	0.6
247.06323	0.2
251.73286	0.2
265.07382	0.9
283.08441	2.6
289.11813	1.5
307.08835	0.6
307.12802	16.0
325.13870	39.5
367.10709	0.2
388.80774	0.2
427.12576	0.9
430.47986	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	487.1785
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
63.80692	0.7
69.03424	0.9
70.06571	0.8
75.44588	0.6
76.25461	0.7
77.04874	0.7
77.61145	0.7
83.01118	1.1
85.02912	1.4
85.12895	0.8
92.09233	1.2
95.01064	3.3
96.01874	0.8
98.12141	0.8
112.01328	1.1
113.02130	3.2
135.04333	1.0
163.03870	8.5
185.04202	7.7
201.03748	1.1
203.05247	1.2
205.04703	20.6
235.05836	1.3
236.06555	0.8
246.92560	0.8
250.08061	14.8
259.07913	1.6
293.10083	1.2
487.17789	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.347
Annotation	Unknow
Peak:m/z	Relative Intensity
53.81366	2.9
55.05495	22.4
57.03419	6.0
57.07061	4.2
67.05492	40.7
69.03412	4.8
69.07060	30.4
71.04967	7.6
79.05473	16.9
81.07033	100.0
83.04965	21.6
83.08577	6.8
85.06529	8.3
86.09672	4.9
91.05442	20.8
93.07018	49.6
95.04932	8.5
95.08575	36.7
97.06477	5.7
97.10136	4.2
105.07018	30.8
107.04907	4.6
107.08575	45.0
109.06498	7.5
109.10137	55.9
111.08028	6.9
117.07013	5.6
119.04928	12.5
119.08563	38.2
121.10112	38.3
123.08052	25.3
123.11663	33.8
125.09589	5.2
131.08508	5.8
133.10129	27.9
135.07997	8.4
135.11694	7.2
137.05945	15.2
137.09612	7.1
139.07530	4.5
139.21259	3.1
143.08510	6.0
145.02771	7.5
145.10124	21.3
147.04362	30.6
147.08034	6.2
147.11676	14.8
149.09595	6.2
149.13271	6.7
151.03918	3.2
151.11276	4.3
152.58224	3.2
157.10127	13.2
159.11658	8.3
161.09583	13.9
161.13261	5.0
163.11115	6.2
165.12599	4.9
171.11754	8.1
173.13359	3.6
175.11140	12.2
175.14841	3.6
177.05392	16.9
185.13327	4.9
189.12730	6.9
203.14275	5.3
213.16220	3.8
214.56174	3.5
225.16333	4.7
231.17346	4.1
243.17439	4.2
245.18869	5.2
296.82770	3.5
301.76208	3.6
323.18268	6.4
361.43179	4.2
395.29150	5.8
413.30133	24.2
431.31693	51.2
449.32559	7.3
469.81143	3.7
485.23294	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	485.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.2
55.05500	6.5
55.54240	0.5
57.03426	9.9
57.07063	48.9
62.76382	0.5
65.31768	0.6
67.05488	7.3
69.07060	8.4
69.71986	0.5
70.06569	0.8
71.08610	28.0
76.30017	0.5
80.29411	0.6
81.07041	10.9
83.08594	6.7
85.10156	14.0
85.87121	0.6
88.07617	0.7
89.05972	0.6
93.07044	0.8
95.08582	14.7
97.10145	2.8
98.98439	39.4
102.09161	0.9
105.06993	1.3
105.39533	0.6
109.10120	6.4
110.34389	0.7
114.37625	0.7
116.99460	0.9
118.00211	0.6
119.08495	0.7
121.10139	1.0
123.11671	2.1
136.99933	0.6
137.13216	0.9
155.01013	16.4
173.02061	1.3
180.55112	0.6
189.07568	0.6
204.87489	0.6
209.18614	0.7
228.23172	2.6
229.23720	0.7
239.23662	1.4
247.05779	0.8
283.26251	1.1
311.29321	1.0
313.27286	100.0
322.12076	0.7
393.23700	2.3
449.26511	8.1
457.78079	0.7
463.04108	0.6
478.13071	0.6
484.46805	4.4
485.32288	1.2
485.47156	2.8
511.99402	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00283	0.6
55.05507	5.8
57.03147	0.4
57.03428	16.9
57.07065	50.6
67.05486	8.7
69.07050	9.7
71.08612	30.4
72.23657	0.4
75.04455	0.4
79.05445	0.7
81.07043	13.3
83.08604	8.0
83.96558	0.4
85.06515	0.7
85.10171	15.6
88.07619	0.5
89.06003	2.7
93.07047	0.5
95.08006	1.0
95.08577	16.1
97.06499	0.6
97.10140	3.4
98.98443	11.1
103.07564	0.7
107.08540	0.6
109.10141	7.8
111.11723	0.5
121.10104	0.7
123.11705	2.0
127.24561	0.5
155.01019	3.3
173.01979	0.8
239.23654	1.1
257.24713	2.1
297.67255	0.5
313.27289	100.0
342.94144	0.5
343.40842	0.5
449.26517	2.0
475.24057	0.6
484.47168	0.8
485.32220	0.6
485.47498	0.9
504.49658	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	0.3
69.03422	0.4
73.31246	0.2
74.02405	0.5
78.73724	0.2
85.02895	1.2
86.09669	1.0
89.13257	0.3
98.97591	0.6
105.07022	0.4
106.06548	1.6
115.05415	2.0
117.05735	0.6
118.06504	0.3
123.05541	0.5
127.03915	0.3
129.57033	0.3
130.06477	4.1
131.04863	0.6
132.04428	1.3
132.08038	3.0
133.05223	0.3
133.06421	0.3
134.05988	26.9
136.06181	1.9
144.05507	0.4
146.05956	2.9
148.07536	4.4
153.01810	0.4
157.07574	2.2
158.05986	8.7
159.06764	3.2
160.03920	0.7
160.07539	16.3
162.05466	79.8
162.73653	0.3
163.05801	1.9
175.07193	0.5
175.08632	7.6
176.07057	0.6
186.05479	7.5
203.08115	2.2
204.06522	100.0
205.06967	2.0
221.09169	27.7
222.09595	0.5
303.68182	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	485.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.9
54.15372	0.6
55.01862	11.5
55.05499	1.3
57.03428	5.5
57.32330	0.6
61.02908	5.7
63.31365	0.7
63.87238	0.6
65.03931	0.7
67.05487	1.8
69.03412	13.9
69.07050	3.4
71.04968	1.4
73.02876	1.1
79.05467	1.8
81.03385	6.8
81.07035	4.0
83.01335	1.0
83.04990	0.9
84.79885	0.8
85.02892	39.7
85.06505	1.1
86.09687	1.1
87.34621	0.8
91.05458	6.7
93.07034	1.5
95.04935	1.5
95.08579	1.8
97.02866	11.9
97.06516	0.7
98.97563	1.7
99.04450	1.2
100.78815	0.7
101.02358	1.4
103.05457	4.4
105.03374	4.6
105.07006	10.4
107.04935	30.7
107.08579	1.6
109.02870	4.5
109.10140	1.6
115.05433	3.7
117.06952	0.9
119.04918	13.4
121.02847	3.9
121.06503	1.5
121.10126	0.8
123.04417	6.1
123.08088	1.0
127.03878	5.5
131.04900	29.5
131.08485	0.9
132.05246	4.9
133.02829	32.2
133.06461	38.6
133.10078	1.0
135.04382	8.6
135.08029	0.9
137.05945	1.0
139.03912	1.6
143.04875	0.9
145.04977	1.2
145.06451	4.1
147.04385	44.0
149.05980	10.5
153.05417	1.1
159.04369	8.0
159.08005	0.8
161.02306	23.0
161.05948	51.6
163.03882	0.8
163.07515	1.4
164.10703	4.9
165.05505	1.5
167.07129	0.8
171.04344	12.4
171.05560	2.3
173.06020	3.3
175.03917	2.8
177.05450	5.2
179.03340	10.7
185.05951	0.8
187.03859	20.0
189.05435	87.2
197.06027	1.4
199.03865	25.9
205.04916	5.8
213.05504	1.0
215.07118	0.8
217.04921	82.3
235.06024	1.8
237.10991	1.0
245.04330	1.2
246.15854	0.8
248.35880	0.8
263.05444	100.0
269.13690	1.6
289.05545	0.8
305.06491	5.5
305.11075	0.7
320.49594	1.0
321.13397	1.2
322.13440	3.7
323.07581	23.4
323.13828	1.2
323.19589	1.2
341.08905	1.0
380.18512	0.7
425.14914	0.9
485.16147	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.4721
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72572	1.2
57.07064	26.1
58.06601	1.7
67.05505	1.9
69.07056	2.2
70.06582	20.0
71.08625	15.2
71.15402	1.3
73.22105	1.4
74.62959	1.5
81.07032	2.9
83.08596	1.6
85.10158	2.2
88.07613	31.0
92.08697	3.2
95.08581	2.7
100.11530	1.5
102.09173	21.8
119.75269	1.5
131.59840	1.6
149.59050	1.6
153.04451	1.7
200.04260	1.6
200.20123	15.5
228.23207	40.3
228.25299	2.2
246.24188	1.8
255.23134	1.6
256.26355	3.5
283.26273	46.9
311.29401	20.6
484.40195	3.3
484.47202	100.0
485.48441	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.3841
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05483	3.3
57.07066	61.2
67.05488	5.8
69.07050	4.3
70.06574	3.8
71.08611	45.0
72.04559	2.9
73.06540	3.2
79.05470	3.0
81.07028	7.0
81.41861	2.6
83.08594	6.0
85.10169	35.3
87.04450	4.7
88.07609	6.7
89.06009	100.0
91.05459	3.6
93.07009	3.7
95.08595	15.3
98.98421	3.7
99.17076	2.8
102.09152	4.0
105.07044	3.5
109.79514	2.7
119.45137	2.6
121.82513	2.9
125.36181	3.0
133.08617	26.1
177.11200	13.5
200.20047	3.5
207.84590	3.0
228.23250	11.8
229.21638	6.9
273.24142	6.4
283.26355	5.0
297.76093	2.6
311.29330	4.6
313.27310	26.9
327.20029	6.2
389.96692	2.7
467.35669	29.6
484.47049	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	484.3114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.8
54.81625	1.2
54.88559	0.8
55.01878	1.3
55.05501	22.0
56.96599	0.7
57.03435	4.4
57.07057	4.5
61.02927	1.0
65.03911	1.0
67.05492	72.0
69.03421	4.6
69.07056	25.9
71.04971	17.4
71.08599	1.3
73.02898	1.1
79.05473	22.1
81.03406	1.3
81.07035	93.5
83.04974	4.8
83.08591	17.4
85.02893	12.8
85.06521	8.1
86.09688	1.2
88.74003	1.1
91.05453	19.2
93.07020	43.8
95.04933	1.3
95.08582	100.0
97.02898	2.2
97.06480	7.8
97.10146	14.2
98.97558	1.3
99.08080	1.7
105.07019	12.3
107.04932	5.5
107.08567	33.5
109.06519	2.2
109.10143	67.0
111.08092	2.5
111.11706	3.9
113.05925	1.2
116.98605	1.5
117.06945	3.3
119.08569	16.1
121.06490	5.5
121.10120	38.3
123.08013	4.3
123.11685	20.1
125.09635	1.3
127.03912	2.0
131.08566	14.8
133.10104	23.6
133.11034	1.6
135.08052	8.5
135.11674	33.1
137.09610	9.4
137.13297	4.3
139.03828	1.2
139.07536	1.2
139.11163	1.1
141.09140	1.8
141.12770	2.0
145.10081	13.5
147.04330	1.3
147.11647	9.6
149.09639	5.0
149.13245	11.6
151.07538	5.4
151.11171	8.1
153.01746	1.2
154.65015	0.9
159.11690	11.3
161.09610	7.0
161.13171	1.2
163.03831	1.3
163.11154	5.6
163.14827	1.8
167.10658	1.7
169.12224	1.4
173.13254	6.6
177.05507	1.3
181.12236	1.5
187.14795	1.5
189.16414	1.6
191.03508	1.2
191.17912	25.7
193.14491	0.9
195.13792	2.0
205.19476	1.5
209.18950	14.5
215.17908	21.8
225.22075	3.9
227.20049	1.3
230.00676	1.0
233.18959	14.6
251.19984	23.4
255.15884	1.8
269.21063	38.7
287.22107	98.9
305.23190	22.7
374.14160	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.4
53.72727	0.3
55.05507	0.4
67.05486	1.8
69.03404	0.6
69.07040	0.5
70.49760	0.3
71.04976	0.5
79.05478	4.7
81.07021	1.9
85.02898	0.8
91.05454	2.4
92.09363	0.9
93.03395	0.5
93.07011	1.0
95.04946	2.5
95.08595	1.4
95.80222	0.4
97.06480	0.6
103.05473	0.6
105.03416	0.7
105.07014	1.6
107.04939	10.0
107.08549	0.8
109.06487	2.3
109.10133	0.5
117.84428	0.4
119.08570	0.8
121.02790	0.5
121.10177	0.5
122.03606	0.5
125.05962	3.4
131.04855	3.0
133.02824	1.9
134.03618	0.9
135.04401	13.5
135.11694	0.5
137.05957	16.1
147.04434	0.5
151.03894	3.6
151.07492	0.5
153.05447	52.0
161.02306	1.0
163.07500	0.5
165.05440	100.0
180.30721	0.4
193.04942	20.2
201.09164	0.5
211.07460	0.5
241.04959	3.7
256.07138	1.6
257.08066	0.7
269.04434	0.9
271.09537	2.1
283.06024	1.0
284.06760	5.2
285.07507	0.7
289.29227	0.4
299.09055	13.4
303.12186	1.5
317.10138	40.2
343.11688	4.6
360.53848	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	1.0
64.32829	0.2
65.03925	0.2
67.05472	0.5
68.99773	0.9
69.03430	0.3
70.06559	0.2
81.07021	0.3
83.04952	0.4
85.02873	0.9
91.05435	1.0
93.03430	0.2
94.04179	0.2
95.04927	1.9
97.02866	0.5
99.04449	0.2
107.04909	0.4
109.02882	0.2
109.06502	0.3
111.04404	2.1
115.05418	0.2
119.04929	2.6
121.06392	0.2
122.03616	1.2
123.04417	0.3
125.05946	0.2
127.03908	0.3
133.06490	1.0
135.04381	0.5
137.05948	52.0
139.03871	100.0
140.04282	0.3
143.04886	1.4
147.04376	22.9
149.05919	0.2
151.03897	1.5
153.01761	0.2
153.05443	1.0
161.05901	1.9
162.06726	0.2
163.03874	1.1
167.07063	0.2
175.07486	3.8
177.05412	0.3
179.07001	5.2
181.04933	1.4
184.07260	0.3
189.05365	0.4
193.08551	2.1
203.07030	1.2
221.08061	3.8
287.09085	1.4
305.10123	24.5
306.10382	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	4.1
54.15037	0.7
55.01857	4.1
55.05497	1.7
56.25122	0.8
57.03429	3.7
61.02930	2.5
67.05488	4.0
68.99801	1.1
69.03417	10.9
69.07052	1.5
71.04967	3.6
73.02888	4.9
79.05491	1.6
81.03390	11.2
81.07033	5.9
85.02890	30.7
87.00812	12.9
91.05459	100.0
93.07021	4.3
95.04958	1.3
95.08575	2.1
97.02861	16.6
97.06509	1.7
99.04442	7.5
104.10717	1.2
105.01849	6.9
105.07011	1.9
107.08576	3.9
109.02859	10.8
109.10145	1.3
116.57834	0.8
117.01836	3.4
117.06976	1.5
119.08600	1.4
120.82367	0.9
121.02840	1.2
121.10144	1.4
123.04422	1.0
123.11641	1.1
127.03895	14.7
129.01767	1.0
131.08522	1.0
139.08521	0.8
145.04956	9.6
145.10149	1.1
147.11639	1.0
151.07509	4.3
159.02866	5.5
159.11653	1.4
168.54810	0.9
177.12657	1.0
195.13765	1.0
199.07484	0.8
201.53967	0.9
219.06494	1.6
226.20808	0.9
260.06375	0.8
269.17352	3.5
486.83136	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	484.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10579	0.7
52.93222	0.7
53.03930	1.3
55.01853	1.2
55.05505	1.8
57.03426	15.6
59.34512	0.8
61.02913	5.2
63.35513	0.7
65.03916	1.5
67.05492	2.1
68.99788	1.8
69.03419	10.3
69.07070	1.6
71.04975	91.7
73.02901	1.9
75.04465	1.4
77.36859	1.0
79.05475	2.3
81.03397	5.3
81.07043	8.9
83.04960	3.7
83.08590	1.1
85.02888	100.0
86.09683	1.9
87.04433	2.1
89.61094	0.8
91.03929	1.2
91.05466	1.4
93.07021	5.0
95.04961	1.7
95.08591	2.1
97.02856	7.6
98.97573	0.9
99.04451	1.4
104.10711	1.3
107.04949	2.3
107.08594	3.8
109.02863	4.3
109.10143	1.2
111.04431	5.9
121.02853	8.9
121.06464	1.9
121.10146	4.1
123.04408	35.2
125.00030	1.3
127.03911	6.0
129.05460	16.3
133.10118	1.8
135.04401	3.6
139.03888	9.0
141.12625	0.9
145.04970	1.5
147.04344	1.3
147.06517	4.9
149.02319	62.9
149.05942	1.9
149.09583	1.2
150.03000	1.3
151.03864	4.2
151.07431	1.0
153.01807	94.7
153.05429	1.5
157.06448	1.4
161.02342	3.2
163.03806	1.4
167.03363	12.4
167.07013	7.7
171.02928	1.4
175.03917	1.3
179.03381	1.9
185.05949	4.4
195.02861	18.1
201.05486	1.1
203.03284	1.5
213.05376	8.4
219.02843	1.7
229.04903	1.6
231.06483	35.5
238.37358	0.9
241.04955	5.2
247.06047	6.1
257.04474	1.2
258.05197	1.6
259.05954	34.3
259.08942	1.7
259.09763	1.5
269.17487	1.3
275.05356	7.1
287.05487	11.2
303.05002	4.1
305.06503	64.4
305.10019	2.2
321.05945	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2715
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43950	0.4
51.11950	0.4
53.00290	1.1
55.01861	1.2
55.05504	39.8
55.12119	0.4
57.03172	0.9
57.03428	16.1
57.07067	17.9
60.33232	0.4
60.65449	0.4
67.05486	5.7
69.07053	44.4
71.08247	0.6
71.08611	9.7
75.04398	0.5
79.05489	4.2
81.07037	9.1
83.08601	33.0
85.10172	4.6
91.05422	1.0
93.07015	5.7
95.04974	0.6
95.08598	5.7
97.06490	3.5
97.10148	22.1
98.98447	13.9
105.07020	1.1
107.08553	4.0
109.10124	2.2
111.08051	0.8
111.11698	5.7
119.65294	0.6
121.10119	3.4
123.11724	0.7
125.09557	0.6
127.31898	0.5
135.11679	3.0
139.11156	1.0
149.13220	0.8
150.13701	0.6
155.01018	3.4
237.22148	0.8
247.05688	0.5
249.12631	0.8
311.25729	100.0
312.26083	1.2
327.17175	0.9
338.46967	0.6
378.23160	0.6
405.21762	1.0
447.24924	3.0
449.24942	1.0
481.64279	0.6
483.35638	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	483.2582
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20654	0.6
51.16983	0.5
53.00292	0.9
53.03926	1.1
53.34735	0.6
55.01852	4.3
55.05255	0.9
55.05502	15.9
55.73988	0.6
57.03420	3.7
57.07064	13.4
59.04977	0.8
66.69275	0.7
67.05486	19.2
69.03407	11.8
69.07045	17.3
71.04965	4.3
79.05466	14.8
81.03393	1.5
81.07030	25.1
83.04960	25.7
83.08600	12.2
85.02882	5.3
85.06508	3.5
88.85188	0.9
91.05452	34.6
93.07017	27.8
93.07450	0.6
94.07779	1.3
95.04944	8.1
95.08576	39.0
97.02862	10.9
97.06516	8.4
97.10118	1.7
99.04424	3.4
99.08060	1.4
103.05459	1.5
105.07009	38.9
106.07741	0.7
107.04919	1.7
107.08573	45.2
109.06469	8.9
109.10135	31.4
111.04420	4.3
111.08047	9.9
115.05438	1.8
117.06987	19.6
118.07737	1.0
118.61214	0.7
119.08550	93.5
120.09315	3.8
121.06471	11.9
121.10111	49.9
123.04407	10.0
123.08049	9.0
123.11658	6.6
124.04758	1.5
125.05904	2.7
125.09590	3.7
127.03912	0.8
128.06177	4.6
129.06982	11.8
130.07759	8.3
131.08536	47.2
132.09293	4.5
133.06438	1.2
133.10098	56.5
134.10831	1.7
135.08011	13.2
135.11658	22.3
137.05933	6.3
137.09587	11.6
138.10437	0.8
139.07489	1.0
139.11150	27.0
141.06952	4.9
142.07767	10.1
143.08536	21.2
144.09300	7.8
145.06430	3.5
145.10092	100.0
146.10822	3.7
147.08022	41.4
147.11659	41.3
148.12424	1.6
149.05981	5.8
149.09579	19.1
149.13222	11.2
150.06297	1.5
151.07529	2.9
151.11162	3.6
153.06979	3.4
154.07721	2.9
155.08556	14.2
156.09296	18.8
157.10095	31.6
158.07169	5.3
158.10869	9.2
159.08049	10.9
159.11655	40.7
160.08702	1.5
161.09593	12.0
161.13222	17.0
162.13976	3.9
163.07487	6.2
163.11148	8.5
163.14767	7.7
165.06952	1.2
165.09070	20.6
166.07716	1.1
167.08508	3.9
167.10637	1.5
168.09280	7.5
169.10092	19.4
170.10876	13.0
171.07954	4.3
171.11633	45.2
172.08850	5.4
172.12424	10.5
173.05946	1.1
173.09586	22.4
173.13213	55.3
175.07408	3.2
175.11131	14.0
175.14775	16.0
176.15526	0.9
177.09058	3.6
177.12648	1.3
177.16347	9.4
179.08536	3.9
181.10071	7.6
182.10872	8.1
183.08014	3.2
183.11647	24.3
184.08733	1.2
184.12399	4.7
185.09569	11.8
185.13205	21.9
186.10368	6.9
186.13997	9.6
187.07526	4.2
187.11154	17.8
187.14763	53.7
188.11902	1.0
188.15546	19.6
189.09067	2.8
189.12668	11.3
189.16147	1.2
191.10689	6.5
191.14265	3.2
192.09241	1.5
193.08502	1.0
193.10071	2.5
193.12106	1.3
193.15860	3.1
194.10838	0.9
195.08015	5.1
195.11641	7.0
196.08752	3.5
196.12360	5.7
197.09525	4.8
197.13222	22.6
198.10289	1.0
198.13943	3.0
199.11131	19.9
199.14790	9.8
200.11880	3.0
201.09076	4.4
201.12689	20.7
201.16364	3.1
203.10591	1.8
203.14267	8.6
204.15059	1.3
205.12253	1.3
205.15825	43.3
206.16602	4.5
207.11621	7.1
207.13422	0.9
209.09622	1.5
209.13239	10.9
210.10432	5.3
210.14046	5.2
211.11137	10.4
211.14732	10.6
212.11848	3.4
213.12637	4.1
213.16385	3.2
215.10690	6.6
215.14233	9.3
215.17790	1.0
217.12163	4.9
219.11765	1.5
219.13724	2.6
221.15379	4.0
223.11002	2.3
223.16855	1.1
224.11888	1.6
224.15471	6.5
225.12721	15.2
225.16309	3.7
226.13252	0.8
227.10646	4.6
227.14252	10.8
228.11415	1.4
229.12193	8.9
229.15825	3.7
229.19545	4.3
231.13774	1.5
234.14014	1.1
237.12733	1.6
239.14111	2.7
239.17886	16.9
241.15691	1.1
241.19481	4.5
242.12933	13.6
243.13718	24.1
243.17462	3.1
245.15375	7.9
247.13194	5.2
247.16771	0.8
249.16321	1.6
252.14981	1.5
257.15930	1.6
257.18915	22.2
259.16867	1.2
259.20535	1.5
261.14749	1.8
267.17307	13.3
275.20010	6.8
285.18414	80.6
303.19467	43.2
304.12399	1.0
358.71423	0.8
434.42398	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66416	1.4
53.03943	2.2
54.99717	1.5
55.01865	2.9
55.05495	10.9
57.03437	2.1
57.07055	12.0
58.06934	1.5
61.13176	1.3
63.95614	1.3
66.64483	1.3
67.05490	20.3
69.03410	8.1
69.07044	16.3
71.04967	2.1
74.09638	1.5
79.05472	17.0
81.07035	18.8
83.04967	23.4
83.08601	12.1
85.02874	2.5
91.05454	30.4
92.63551	1.6
93.07013	31.0
95.04937	3.5
95.08574	30.7
97.02853	6.4
97.06495	7.1
97.10207	1.5
99.04444	2.3
99.08060	2.0
105.07004	40.3
107.07868	1.9
107.08571	47.7
109.06515	6.6
109.10146	33.5
111.08028	6.5
112.45601	1.8
115.05475	2.3
117.06979	17.7
119.08549	97.4
120.09325	2.3
121.06478	9.1
121.10118	47.6
122.10978	1.5
123.04409	7.1
123.08050	9.1
123.11677	2.8
125.09598	1.9
128.06172	2.6
129.06985	9.1
130.07782	3.8
131.08545	49.3
132.09331	2.7
133.10101	47.1
133.52357	1.6
134.10925	1.9
135.08035	13.2
135.11656	22.4
137.05988	3.3
137.09578	13.4
139.11153	26.1
139.90247	1.5
141.06979	6.2
142.07767	11.8
143.08545	17.5
144.09311	6.8
145.06454	2.9
145.10100	100.0
146.10759	3.0
147.08031	33.6
147.11661	44.6
147.12752	2.8
148.12434	3.0
149.05948	2.4
149.09587	19.9
149.13249	9.1
151.11057	2.2
155.08578	11.6
156.09319	18.9
157.10104	29.0
158.07193	2.1
158.10881	9.7
159.08022	10.1
159.11658	38.1
160.12599	1.7
161.09586	17.9
161.13205	16.9
163.07500	6.6
163.11157	7.4
163.14760	6.7
165.07047	2.7
165.09055	14.8
168.09341	6.9
169.10139	19.2
170.10854	12.9
171.08038	2.7
171.11636	40.0
172.08798	7.6
172.12457	11.3
173.09579	20.4
173.13225	55.4
175.11174	10.4
175.14795	18.9
177.09076	6.3
177.16335	6.9
179.08536	2.3
181.10066	6.2
182.10905	9.2
183.08095	1.9
183.11650	26.1
184.12422	2.0
185.09598	11.7
185.13210	16.7
186.10356	3.6
186.14050	12.4
187.11171	19.1
187.14767	49.1
188.15547	19.6
189.12794	11.1
191.10683	2.0
191.14282	2.1
193.10100	2.4
195.07974	2.2
195.11697	2.6
196.08794	2.6
196.12494	2.2
197.09570	7.3
197.13225	30.1
199.11130	15.5
199.14809	7.7
201.09096	2.3
201.12715	25.1
201.16409	3.7
203.14288	7.8
205.15857	43.1
206.16599	2.4
207.11758	2.2
209.13191	8.7
210.10333	6.2
211.11160	11.5
211.14798	9.9
213.12724	2.7
213.16196	2.5
215.10608	3.6
215.14317	8.3
217.12213	3.3
224.11865	2.8
224.15501	3.6
225.12718	15.0
227.10681	3.3
227.14241	12.3
229.12222	9.7
229.15884	6.6
229.19411	3.2
231.13718	3.2
233.28644	1.6
237.12727	2.9
239.17924	16.8
241.19485	2.9
242.12975	12.3
243.13788	26.9
243.17374	5.3
245.15378	8.5
247.13277	3.6
257.18985	21.0
259.20615	1.8
267.17392	15.6
275.19913	8.3
285.18420	78.7
288.55676	1.9
303.19485	40.8
327.51230	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.4047
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84194	1.6
53.00303	1.8
54.88139	1.8
55.05502	2.8
57.07069	82.5
69.07053	12.0
69.73942	2.0
71.08616	72.6
73.06529	2.7
78.43602	2.1
81.07031	3.2
83.08589	3.6
85.10164	31.2
87.04462	2.1
89.06014	100.0
92.77509	2.1
95.08583	2.6
97.10073	2.1
105.06999	3.6
107.08571	2.5
113.13302	3.1
133.08588	37.7
177.11205	12.8
271.26501	2.8
273.40747	2.1
283.17575	34.2
315.28946	3.4
359.04700	2.3
453.47675	2.2
465.37851	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	483.1494
Annotation	Rubinaphthin C
Peak:m/z	Relative Intensity
50.00630	0.3
50.87335	0.3
52.19816	0.2
53.03932	0.3
55.01872	0.4
56.30432	0.3
57.03434	0.5
60.95323	0.3
61.02905	0.6
67.05478	0.6
69.03408	2.5
70.06565	0.7
71.04948	0.5
81.03390	1.6
81.07030	0.7
85.02890	6.6
91.05460	0.6
93.07043	0.4
94.93245	0.3
95.04929	0.4
95.08591	0.5
97.02871	2.6
105.06969	0.4
109.10156	0.4
119.04895	0.5
119.08601	0.5
127.03867	0.7
139.03888	0.4
151.07491	0.7
158.07254	1.2
159.07967	0.5
160.92854	0.3
161.05949	0.8
165.05449	3.2
171.04480	0.4
171.08058	0.6
173.05928	0.6
174.06757	1.2
176.04636	0.4
177.05392	0.5
177.08968	0.6
183.07997	0.6
185.05882	0.4
186.06735	1.4
187.07471	1.5
188.08295	0.7
189.05437	1.8
189.09058	2.8
191.07033	0.8
191.10593	1.4
198.06766	0.6
199.07521	0.4
200.08337	0.5
201.05457	1.7
201.09055	2.0
203.06998	1.3
204.04152	5.3
204.07837	1.6
205.08569	3.1
211.07458	0.4
213.05467	0.7
213.09093	0.6
214.06145	2.5
215.07027	1.6
216.07825	1.8
217.05103	3.6
217.08545	11.9
218.05696	3.0
219.06487	35.0
219.10080	2.1
220.07297	0.7
227.07184	0.6
228.07848	1.4
229.04990	1.8
229.08527	3.0
231.10077	1.6
232.07272	5.2
233.08051	12.1
239.06967	0.4
241.04993	0.4
242.05707	3.1
243.06517	0.9
244.07407	2.6
245.04456	4.7
247.05887	0.7
247.09581	2.7
257.08090	6.9
259.05920	1.6
259.09644	4.4
260.06729	9.5
261.07632	0.4
263.05411	0.6
270.05133	3.4
271.05951	2.5
272.06653	2.0
275.09073	39.4
277.10635	11.2
281.53265	0.4
285.07501	6.6
285.17078	0.6
288.06232	15.8
301.07010	2.2
303.08566	100.0
321.09616	0.6
402.24838	0.4
465.13739	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.3839
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.7
55.05494	31.0
57.07066	56.0
59.08275	4.1
59.17180	4.6
62.99243	4.1
65.03932	4.5
67.05494	47.3
69.07048	41.9
70.59315	5.0
71.08606	32.9
79.05466	24.9
81.07039	100.0
83.08604	18.0
85.10193	6.4
89.06020	41.7
91.05480	7.2
93.07007	36.4
95.08585	90.2
97.10139	7.5
105.06978	9.1
107.08556	28.9
109.06499	10.5
109.10129	38.3
119.08530	10.4
121.10100	10.8
123.08014	44.6
123.11691	19.9
125.05946	5.9
131.08469	9.0
133.08578	18.2
133.10143	7.9
135.08060	22.3
135.11713	18.4
137.05952	38.0
147.11707	6.5
149.13283	8.6
151.07533	56.1
155.06987	5.7
159.11705	18.6
161.57907	4.7
163.07520	10.8
165.09039	6.2
177.09048	10.6
181.20811	4.9
188.95789	4.5
191.10648	9.1
207.13821	7.1
283.17468	6.7
401.34058	5.7
411.32413	8.9
429.33557	98.1
447.34631	45.0
465.37820	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	482.324
Annotation	LPE(18:0/0:0)
Peak:m/z	Relative Intensity
53.63245	2.6
55.05503	6.1
57.03433	4.0
57.07067	100.0
62.06068	17.8
67.05507	5.9
68.73991	2.2
69.07051	15.6
71.08615	68.9
73.06516	3.6
79.05449	3.4
79.94059	2.9
81.07036	19.4
83.08592	4.7
85.10159	42.1
87.04452	3.3
89.06007	90.5
91.05466	5.5
93.07013	15.4
95.08589	21.1
96.08866	3.4
97.10143	2.7
98.56844	2.8
99.11705	3.6
104.14639	2.4
105.07016	10.3
107.08578	4.6
109.10120	4.2
119.08558	4.4
121.10142	3.3
121.91905	2.4
125.90947	2.5
133.08574	39.2
133.10161	3.7
177.11224	16.2
209.23239	2.7
283.17471	25.4
293.05185	2.7
310.30878	9.6
316.83560	3.1
341.30411	60.2
405.33774	3.6
406.95044	3.2
421.26727	4.8
465.37775	53.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2591
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07661	0.6
53.00282	0.6
53.03940	1.0
55.01853	1.4
55.05497	11.1
56.18272	0.6
57.03429	8.3
57.07059	1.0
61.02911	5.5
67.05489	20.9
69.03420	3.4
69.07053	19.1
70.07364	1.1
71.04982	6.3
73.02908	1.1
79.05460	10.1
81.03412	1.3
81.07033	70.9
82.07381	1.1
83.04967	6.5
83.08605	9.3
85.02874	8.6
85.06522	6.7
87.04390	0.7
91.03937	1.2
91.05446	15.9
93.07024	12.7
95.04945	1.7
95.08581	22.3
96.08931	0.9
97.02844	1.2
97.06487	6.7
97.10134	1.5
99.08062	3.9
105.07005	25.1
105.07658	1.5
107.08572	13.3
109.06488	5.3
109.10139	9.5
119.08556	23.0
121.10108	20.8
123.08039	4.3
123.11675	31.5
125.09679	0.8
127.07578	1.0
131.08543	1.3
133.10080	4.7
137.09660	0.8
137.13245	4.4
145.10078	0.9
147.11661	66.4
149.09584	0.8
152.01511	1.0
157.10091	4.2
159.11676	0.9
165.12712	26.3
165.16222	0.9
170.77353	0.8
175.11166	3.3
177.05518	1.0
183.13762	3.4
186.56592	0.8
187.18439	0.8
193.12152	1.6
226.74637	0.8
229.14256	6.8
265.25211	1.0
267.15845	47.4
283.26154	1.2
285.16888	100.0
328.89981	0.8
385.72281	0.9
447.21844	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2594
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.2
54.72086	0.5
55.01865	2.9
55.05503	11.7
57.03426	14.0
59.05000	1.1
59.26712	0.6
61.02913	7.0
65.03931	0.5
67.05492	17.0
69.03416	12.8
69.07059	6.3
71.04974	10.5
73.02893	3.4
73.06539	1.2
74.19271	0.6
79.05121	0.5
79.05474	21.1
81.03398	78.5
81.07034	27.6
83.04961	19.0
83.08603	24.1
83.20210	0.6
85.02889	30.5
85.06515	1.5
87.04448	5.8
91.03955	2.2
91.05457	22.0
93.07024	19.6
93.07574	1.2
94.50028	0.7
95.04945	27.8
95.08589	8.4
97.02870	13.1
97.06520	4.9
97.10147	5.1
99.04444	1.2
99.08022	0.9
105.07009	20.2
107.04939	10.2
107.08575	9.8
109.06499	5.6
109.10155	3.3
111.04433	2.5
111.08072	12.1
113.05996	0.8
113.98564	0.7
115.03928	4.8
115.05460	0.8
117.07017	1.2
119.04944	1.0
119.08557	14.7
121.06414	1.0
121.10120	9.1
123.04391	5.9
123.08041	3.4
123.11677	2.7
125.09661	0.8
127.03910	2.6
129.06969	9.8
131.08545	10.8
133.04959	5.9
133.06471	3.5
133.10104	11.9
135.11674	6.8
137.05939	0.8
137.09604	1.4
142.07771	3.6
145.10069	2.4
147.08057	3.4
147.11679	12.2
149.09615	7.8
152.91679	0.7
153.05496	1.3
153.12723	22.4
157.10110	14.7
163.03894	2.4
163.11180	0.9
165.12709	3.5
175.11134	15.3
193.12204	58.1
211.13272	42.0
229.14259	1.0
267.15854	20.0
274.23260	0.7
285.16895	100.0
361.02225	1.2
392.58044	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	3.6
53.03923	1.9
54.81495	2.0
55.01866	2.8
55.05490	11.7
57.03434	33.5
57.07071	3.8
59.04980	9.6
59.56642	1.6
61.02926	5.3
67.05488	13.5
69.03417	82.0
69.07050	28.0
71.01340	2.5
71.04977	50.9
73.02894	11.3
73.06513	2.1
73.40263	1.9
75.04480	3.2
78.62772	2.1
79.05466	14.8
81.03385	9.4
81.07040	34.7
83.04958	12.6
83.08595	10.0
85.02888	100.0
86.09678	2.7
87.04447	42.9
91.05453	12.1
93.07027	42.9
95.04949	4.5
95.08597	20.1
95.09107	2.4
97.02874	58.8
97.06521	11.1
97.10147	2.2
99.04424	4.1
100.62093	2.0
105.07001	11.9
107.04922	3.2
107.08576	48.3
109.02816	4.7
109.06512	9.5
109.10149	17.4
111.04440	3.0
111.07957	2.3
111.11686	9.5
115.03909	53.5
119.08554	14.6
119.17315	2.0
121.06473	3.4
121.10097	9.4
123.04331	2.7
123.07997	4.0
125.13258	2.9
127.03861	15.1
129.05476	4.3
131.08510	4.0
133.04950	46.2
133.10109	3.7
135.04422	2.5
135.08055	3.0
135.11682	40.5
137.05957	4.6
139.11124	9.6
145.04909	8.9
145.10121	3.3
147.11661	5.5
149.09616	3.7
151.11157	2.6
153.05437	16.1
153.12717	91.8
157.12190	3.6
159.11668	2.7
165.12677	3.7
169.04781	2.2
175.11089	2.5
193.12268	3.9
231.13759	3.9
241.06978	2.1
249.14807	5.1
259.08032	4.0
267.15857	2.6
285.16843	17.8
295.10153	4.4
315.17950	13.1
320.04913	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	482.223
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
57.03429	5.1
59.02850	0.6
61.02901	1.0
63.48165	0.5
65.69415	0.5
67.57868	0.5
69.03427	4.0
69.46947	0.5
71.04977	0.9
72.56644	0.5
75.04470	0.7
78.04688	0.5
81.03394	2.3
85.02881	11.0
87.04431	0.7
91.05457	5.9
93.07023	10.9
95.04922	2.0
97.02856	4.8
98.97557	0.6
99.04441	0.6
103.03914	0.9
103.05441	6.1
105.07025	3.1
107.04942	1.1
109.02862	1.1
111.04427	0.8
119.04937	0.8
121.06487	19.8
123.04403	4.4
127.03876	2.1
130.11209	0.6
133.06435	4.0
135.04440	0.8
139.03920	2.7
140.04649	2.2
145.04926	1.1
149.05954	51.5
151.03873	2.2
151.07571	0.8
152.04651	0.7
153.05487	0.8
155.06973	0.7
161.05942	8.1
163.03963	0.6
166.06215	29.6
167.06995	100.0
171.06439	0.8
178.06238	3.1
179.07019	2.9
180.07767	1.3
181.08556	73.5
193.08556	7.0
201.07663	0.5
211.09624	39.9
219.08566	0.7
249.75235	0.6
255.12212	32.9
267.12183	3.3
285.13281	21.4
372.92792	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.2
55.01850	0.3
56.76907	0.1
57.03414	0.8
61.02902	0.2
69.03398	0.8
75.04397	0.2
79.05469	0.3
81.03387	0.3
81.07013	0.3
85.02880	1.8
91.05465	1.2
93.07011	1.2
95.04927	0.8
97.02858	0.8
97.06535	0.3
98.97532	0.2
103.05434	0.7
105.06993	0.7
106.04124	0.2
107.04940	1.5
107.08588	0.2
107.64777	0.2
111.04375	0.2
111.08083	0.2
114.25594	0.1
116.38164	0.2
119.04922	0.2
120.08015	0.2
121.06495	2.0
123.04415	2.5
124.05180	0.8
127.03898	0.4
130.06441	0.2
133.06441	0.7
137.05989	0.7
139.03874	0.7
145.04909	0.2
149.02272	0.2
149.05945	3.1
151.03809	0.3
151.07520	0.2
152.04620	0.8
153.01787	0.7
153.05342	0.2
161.05928	1.1
163.03854	0.2
165.01833	0.2
165.05399	0.3
165.08995	0.2
166.06253	0.4
167.06990	100.0
168.07375	0.4
177.05421	0.2
179.06873	0.3
181.08533	2.7
185.41414	0.2
193.08534	3.1
195.02734	0.2
201.05283	0.2
209.08058	0.3
211.09596	5.5
227.09132	0.4
229.04881	0.4
229.10617	2.8
237.02708	0.2
247.05743	0.2
267.06454	0.3
275.05292	0.2
285.07321	0.2
285.13214	0.8
303.04947	0.9
303.14291	13.2
308.07465	0.2
321.05942	0.2
324.15958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.01863	0.8
57.03420	1.3
61.02908	1.3
64.33241	0.2
64.66655	0.2
67.05492	0.3
69.03420	3.1
69.07047	0.2
71.04966	0.3
79.05476	0.5
81.03389	1.1
81.07032	1.4
83.08620	0.2
85.02888	12.0
91.03928	0.3
91.05456	0.5
93.07024	0.8
95.04942	0.8
95.08586	1.3
97.02875	3.0
99.04417	0.4
100.52146	0.2
103.96875	0.2
105.06995	1.4
107.04936	100.0
108.05312	0.3
109.02858	0.3
109.10155	0.5
119.08523	0.2
121.06460	1.5
121.10122	0.2
123.04374	0.3
127.03893	1.2
133.05539	0.4
133.06465	7.3
133.10104	0.4
137.05952	6.8
137.09557	0.2
145.04982	1.3
149.06071	0.2
151.07526	11.0
159.97278	0.2
161.05939	4.9
165.05534	0.2
179.06956	0.9
189.05539	0.3
239.10655	0.3
241.10997	0.3
248.03969	0.2
257.11658	17.7
259.12137	0.4
267.09982	0.4
285.11081	4.0
285.16699	0.3
296.19440	0.2
303.12198	10.6
429.14444	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.202
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00193	0.2
54.93911	0.2
55.01855	0.3
55.05495	1.1
56.63768	0.2
57.03420	0.5
61.02907	0.9
67.05476	1.4
69.03415	1.8
69.07038	1.0
70.06557	0.4
71.04975	0.4
79.05469	0.6
79.89838	0.2
81.03385	1.4
81.07037	2.3
82.01003	0.2
83.04958	0.3
83.08578	0.3
85.02888	4.4
91.05464	1.0
93.07008	1.0
95.04964	0.4
95.08611	1.9
97.02852	1.1
97.06478	0.3
97.10168	0.4
103.05439	0.5
105.07013	1.6
107.04934	100.0
107.08569	0.6
109.02867	1.2
109.06474	0.4
109.10123	1.3
119.08531	0.3
121.06487	1.5
121.10140	1.1
123.04383	1.1
123.08046	0.3
123.11697	1.0
127.03824	0.3
130.04979	0.3
131.04939	1.7
132.05255	0.5
133.06458	6.0
133.10127	0.4
135.11685	0.3
137.02354	2.7
137.05951	6.7
138.02660	0.5
139.03886	0.4
141.05432	0.4
145.04967	0.4
145.06438	0.3
147.04420	1.5
147.11676	0.4
151.03886	0.4
151.07520	11.4
154.02556	2.0
155.02919	0.3
157.10156	0.3
161.05949	5.1
163.03909	1.7
163.07538	1.0
164.07823	0.4
165.05426	0.4
167.06984	0.2
169.04916	18.9
170.05252	6.1
177.05498	0.3
177.16377	0.3
179.06984	1.2
205.10953	0.2
239.10643	1.0
257.11658	16.7
267.10165	0.4
283.26248	0.3
285.11197	2.6
295.31500	0.2
303.12170	8.7
319.11581	0.5
320.12039	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	482.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.2
53.03941	0.6
53.07368	0.2
54.80478	0.2
55.01855	2.1
55.05258	0.4
55.05503	7.1
57.03141	0.4
57.03424	10.0
57.03690	0.5
57.07061	0.4
59.04971	0.3
61.02916	5.2
65.03927	0.3
67.05489	18.4
69.03409	1.9
69.07052	14.9
71.04964	4.3
71.95876	0.2
73.02900	1.3
79.05470	9.5
81.03395	1.2
81.07035	68.8
82.07389	0.2
83.04961	5.3
83.08604	7.1
85.02887	6.5
85.03372	0.4
85.06525	4.2
86.13596	0.3
91.03936	1.4
91.05455	17.8
93.07021	9.1
95.04958	2.2
95.08582	15.9
95.09201	0.6
97.02886	2.4
97.06507	6.5
97.10133	0.5
99.04430	0.5
99.08067	3.8
101.05981	1.0
103.05438	1.0
105.00145	0.3
105.07008	30.2
107.04910	0.5
107.08572	11.2
109.02886	0.3
109.06501	6.2
109.10140	2.2
111.04440	0.4
111.08068	1.3
113.05966	1.8
115.07512	0.4
119.08556	24.3
121.06482	0.4
121.10115	19.9
123.04389	8.1
123.08052	3.6
123.11678	28.3
127.03888	0.4
127.07534	3.0
129.07007	2.1
131.04897	3.8
131.08556	1.5
133.06561	0.3
133.10095	3.7
135.11668	0.3
137.05956	15.0
137.09593	1.4
137.13258	2.5
141.09085	1.4
145.04852	0.3
145.10103	1.1
147.11662	71.6
148.12086	0.2
149.05975	2.1
149.09601	1.4
151.11205	0.3
156.75603	0.2
156.76878	0.3
157.10078	2.8
161.05952	0.4
163.07518	0.5
165.12712	29.0
175.11116	3.7
183.13783	3.2
193.12175	1.7
229.14305	4.8
267.15845	34.8
285.16898	100.0
309.61987	0.3
429.20950	0.3
431.99615	0.3
447.16071	0.5
447.21982	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	481.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69077	1.8
54.64724	1.9
55.05497	18.5
57.03420	12.4
57.07061	10.6
58.33161	1.9
59.04977	2.4
67.05482	33.5
67.05808	2.9
68.02609	2.2
69.03422	5.6
69.07051	42.4
70.06565	8.9
71.04977	16.6
79.05481	10.8
81.07042	100.0
83.04966	3.3
83.08615	23.7
85.02893	28.1
85.06541	3.6
87.04459	2.9
91.05463	3.5
93.07008	22.9
95.08580	98.2
95.09193	3.4
97.02856	3.0
97.10153	15.8
99.08080	3.3
105.06993	4.4
107.04955	4.7
107.08562	33.1
109.10140	71.4
110.07190	3.2
111.04498	2.3
111.11703	4.6
113.09644	3.5
121.06514	3.9
121.10142	29.5
123.04399	14.9
123.11670	33.1
135.11652	19.2
137.05978	3.4
137.13235	21.2
139.03854	5.2
147.11681	2.6
149.05864	3.5
149.13190	17.7
151.14764	3.6
159.09200	2.4
163.14767	10.9
165.16479	2.7
177.16382	16.6
191.17899	12.3
247.24135	27.1
257.65854	2.5
265.25150	31.8
283.26303	36.0
284.15543	2.9
301.27518	3.1
317.06500	2.8
376.00992	4.1
391.03323	14.7
409.04425	3.3
453.65811	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	481.3368
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	1.3
55.01867	1.4
55.05503	19.4
57.03418	4.8
57.07071	9.3
59.04990	2.3
61.02906	1.0
67.05490	27.4
68.29186	0.8
69.03418	7.3
69.07052	36.7
70.06582	1.6
71.04973	4.4
71.08617	2.2
73.02910	1.2
75.04478	0.8
75.06873	0.8
79.05477	11.5
81.03407	4.2
81.07035	82.7
83.04964	1.3
83.08604	20.0
85.02885	26.8
85.06523	5.8
86.09683	1.0
89.75903	1.0
91.05446	6.4
93.07026	27.0
95.04952	1.8
95.08579	100.0
97.02871	6.1
97.10153	15.0
99.04407	1.2
99.08058	4.1
105.06989	5.1
107.08577	30.4
109.02857	2.0
109.06472	1.1
109.10139	66.5
111.08044	1.4
111.11684	7.4
113.09634	3.8
119.08551	3.5
120.08057	2.2
121.10114	30.5
123.04367	2.2
123.11674	42.0
125.09624	1.1
125.13235	1.5
126.95880	0.9
127.03849	2.5
133.10085	4.6
135.04413	1.4
135.11671	28.8
137.05974	1.8
137.09627	4.8
137.13225	29.3
145.02829	5.4
145.04951	2.2
145.10089	1.7
147.11679	1.9
149.13222	25.0
151.14793	11.8
153.01805	15.4
153.05392	6.9
159.11630	1.3
163.05956	1.1
163.14792	21.0
165.05428	1.7
165.09058	5.0
165.16388	8.0
171.02847	2.0
177.05441	11.1
177.16344	24.6
183.17426	1.4
183.61559	1.0
191.17914	24.7
205.19446	2.4
247.06029	1.1
247.24144	46.7
265.25198	27.3
277.25116	1.5
283.26364	4.5
303.08533	17.2
349.08188	1.9
481.16660	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	481.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18939	0.5
53.03936	0.8
54.81791	0.6
55.05501	28.4
55.71051	0.7
57.03406	2.9
57.07070	11.2
59.04980	1.3
64.80079	0.6
65.10602	0.7
67.05488	27.5
69.03400	5.0
69.07050	50.0
71.04964	8.9
71.08596	4.6
79.05463	11.4
81.03370	1.3
81.07033	100.0
83.08114	1.5
83.08592	31.9
85.02880	14.0
85.06527	8.3
85.10151	1.1
88.90558	0.7
91.05433	3.3
93.07018	19.9
95.04922	1.3
95.08577	94.8
96.33097	0.7
97.02843	3.3
97.06494	1.4
97.10132	20.1
99.08060	3.6
105.06995	2.9
107.04916	1.3
107.08572	22.0
109.02838	1.0
109.06480	0.9
109.10135	62.5
111.08036	3.2
111.11682	9.5
113.09602	3.5
113.32263	0.7
119.08566	2.9
120.86182	0.8
121.10105	20.6
123.04431	1.1
123.11671	34.0
123.92248	0.7
125.09589	1.2
125.13268	3.0
127.03875	1.5
132.70563	0.8
133.10089	1.4
135.11681	18.9
137.05876	1.3
137.13222	18.9
139.11101	0.8
139.66125	0.7
145.10028	1.2
147.11646	0.9
149.13228	13.5
151.07555	1.3
151.14830	7.4
153.12717	1.2
159.11691	1.0
161.13345	0.8
163.14780	11.1
165.16348	4.6
177.16321	8.4
183.17445	0.9
189.94232	0.7
191.17892	7.3
196.14558	0.8
205.19530	1.6
247.24130	18.0
265.25171	14.2
283.26245	51.6
297.74802	0.8
301.27277	1.7
387.77145	0.8
475.84982	0.8
481.23654	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.3371
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.7
55.01883	0.7
55.05505	27.9
57.03418	2.7
57.07068	12.8
59.04989	0.8
66.66753	0.5
67.05142	1.2
67.05492	27.7
69.03406	3.6
69.07056	55.2
70.07390	0.9
71.04977	3.8
71.08626	4.8
73.02908	0.7
79.05481	7.7
81.07042	100.0
83.08612	26.1
85.02894	9.3
85.06519	4.6
85.10143	1.3
91.05467	2.6
93.07025	17.5
93.07574	1.2
95.08589	79.2
97.02869	1.1
97.06522	2.5
97.09513	1.0
97.10148	21.2
99.08080	3.4
100.42728	0.6
104.81049	0.6
105.07013	1.4
107.08580	22.3
109.10146	54.2
111.08083	3.0
111.11697	8.5
113.09662	4.5
119.08537	0.9
121.10128	16.9
123.11692	36.6
125.09634	2.2
125.13262	1.3
127.03899	0.7
127.11192	0.8
133.10146	1.1
135.11671	12.8
137.05963	1.3
137.13234	19.4
139.11165	0.8
149.13251	12.3
151.14825	7.7
153.12764	0.9
155.14211	0.7
163.14783	8.0
165.16341	6.1
177.16368	7.1
183.17207	0.7
191.17947	6.6
209.19101	0.8
247.24176	18.9
265.25232	22.0
283.26273	39.9
301.27298	1.2
334.95132	0.6
363.18033	0.6
470.81006	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1704
Annotation	Paeonin B
Peak:m/z	Relative Intensity
50.46062	0.3
50.46586	0.3
51.04625	0.3
53.03932	0.6
53.76778	0.3
55.01862	0.8
55.05496	2.9
55.10053	0.3
57.03414	1.9
57.07059	0.3
61.02911	0.8
65.03936	0.3
67.05163	0.4
67.05474	2.7
69.03426	3.6
69.07062	3.0
69.07355	0.3
70.21397	0.3
71.04987	1.3
79.05460	2.3
79.47868	0.4
81.03397	3.5
81.07033	5.3
81.46319	0.3
83.04953	0.8
83.08595	2.1
85.02887	7.8
85.06522	0.5
91.05459	0.8
92.09332	0.3
93.07026	4.7
95.04961	0.8
95.08595	5.3
97.02878	2.6
97.10098	0.6
100.11257	0.6
101.06020	0.5
103.05463	3.2
105.06992	0.9
107.08564	2.0
109.02872	4.8
109.10131	2.7
110.44364	0.4
111.04427	2.3
113.05991	0.8
120.04446	1.3
120.08102	0.4
121.10119	5.2
122.10453	0.5
123.04441	0.7
123.11687	1.5
126.03111	1.7
127.03863	0.8
131.04907	9.6
131.08554	0.5
133.10123	0.6
134.05948	0.6
135.11629	1.6
137.02319	15.9
137.05951	3.1
137.13139	0.6
139.03835	0.5
139.11090	0.5
141.05447	5.5
146.05971	0.6
149.05956	0.7
149.13187	1.4
149.85422	0.4
153.05458	4.1
154.02591	12.3
161.06067	0.3
163.07481	2.7
163.25168	0.4
165.16289	0.4
167.07057	1.6
169.04932	100.0
177.05431	0.5
177.16327	0.4
199.01654	0.4
265.08276	0.3
265.25244	0.7
283.26260	2.0
301.27347	0.7
303.12091	0.7
318.13171	0.7
319.11594	11.0
357.66605	0.4
376.50153	0.4
419.59970	0.5
445.69861	0.4
480.30209	0.6
480.80231	1.4
481.30737	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1703
Annotation	Paeonin B
Peak:m/z	Relative Intensity
51.91176	0.3
53.75058	0.2
54.14451	0.3
55.01838	0.5
55.62886	0.3
57.79497	0.3
65.03916	0.6
67.05484	0.3
67.90542	0.3
70.43223	0.3
77.14069	0.3
79.05456	1.3
81.07035	0.5
85.02882	1.5
91.05462	1.8
92.08685	0.6
93.03388	1.4
94.04148	1.2
95.04987	0.4
97.06488	0.5
102.69454	0.3
110.03663	0.3
119.04922	5.7
121.02834	1.2
122.03629	2.0
125.05959	5.5
133.06474	0.4
137.05962	52.2
141.05472	0.7
143.04880	0.6
147.04393	33.7
149.05989	0.4
153.05449	100.0
158.12683	0.4
161.05952	2.1
165.05438	1.3
167.07022	2.0
175.07550	2.4
175.93156	0.3
177.05411	0.6
179.06996	5.9
183.06569	0.4
193.08545	0.7
193.57457	0.3
195.06493	1.5
203.06940	0.4
209.65695	0.3
221.08174	1.2
235.00789	0.4
301.10483	1.4
319.11703	20.7
501.91779	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.1703
Annotation	Paeonin B
Peak:m/z	Relative Intensity
53.03942	1.1
55.01865	0.6
55.05520	0.9
57.03430	1.3
65.03929	1.0
67.05484	2.8
69.03416	3.6
69.07079	0.7
70.06591	5.5
71.04977	2.8
72.08142	0.6
79.05479	0.9
81.03396	1.3
81.07037	3.4
83.04961	1.1
85.02888	6.1
85.06506	1.1
89.03881	2.1
91.05452	3.3
93.07025	2.5
95.04943	3.2
95.08612	1.1
97.02873	4.1
97.06492	0.9
103.07547	0.7
107.04928	2.5
107.08542	0.7
108.02105	1.1
109.02869	1.4
109.10189	0.6
111.04427	2.2
111.11800	0.6
117.03356	1.2
118.15932	0.5
119.04909	1.2
121.06464	5.3
121.10139	0.8
123.04414	2.2
123.08047	0.6
125.05959	0.6
127.03917	0.9
128.57361	0.6
130.06508	1.1
134.03616	0.9
135.04405	1.0
137.05949	12.6
137.09596	0.7
138.52077	0.6
139.03970	0.8
141.05528	4.0
145.02907	0.6
145.56454	0.7
147.04390	3.6
149.05960	98.3
151.03885	91.6
151.04990	8.7
151.07552	3.0
151.97496	0.6
153.01770	1.0
153.05461	8.5
153.06976	8.4
157.07584	1.3
158.05952	1.1
161.05957	3.5
163.03897	2.5
165.05408	1.1
167.07030	0.6
167.08484	0.6
177.05434	100.0
181.06436	13.1
195.08037	2.4
198.06813	1.1
209.05911	4.6
213.09073	8.4
227.06749	0.6
240.07860	0.7
241.08553	8.9
269.08072	3.3
273.11130	14.2
301.07477	1.0
301.10629	24.0
319.04358	1.3
319.08237	1.0
319.11594	5.9
366.14230	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0972
Annotation	Myricetin-3-Galactoside
Peak:m/z	Relative Intensity
53.00291	0.2
53.03921	0.9
55.01864	1.3
56.16106	0.1
57.03425	1.5
61.02909	2.7
68.99767	1.6
69.03067	0.3
69.03413	6.0
71.04968	1.0
71.05325	0.1
73.02882	0.8
81.03394	2.7
85.02885	14.4
87.04473	0.3
91.03911	0.4
91.05434	0.2
93.06988	0.3
95.08553	0.3
97.02863	5.4
99.04423	0.3
107.08472	0.2
108.02138	0.2
109.02852	3.5
111.00776	4.1
111.04414	0.3
119.08571	0.2
121.02877	0.2
121.06494	0.3
125.02337	0.4
126.03082	0.3
127.03899	2.1
135.04337	0.2
137.02313	3.7
137.05940	1.2
139.03857	0.6
144.98326	0.2
145.04930	1.2
147.04338	0.3
149.02397	0.2
149.05980	1.8
151.03868	2.9
151.04964	0.3
153.01797	15.9
161.05913	0.3
163.03896	0.2
165.01793	4.5
166.02609	0.8
171.04289	0.3
175.03943	0.2
177.05428	2.6
179.03333	2.6
183.02824	1.8
189.05405	1.3
193.01286	0.4
193.04922	0.3
195.02905	1.3
199.03827	0.4
203.03317	0.8
207.02843	0.9
217.04910	5.8
219.02765	0.3
221.04344	0.2
227.03403	0.3
229.04898	0.3
231.02965	0.4
232.03648	0.2
235.02318	0.2
235.05855	0.3
239.01834	0.2
244.03609	0.3
245.04369	7.5
255.02734	0.8
256.84354	0.2
263.05417	0.4
272.03226	0.2
273.03830	6.3
273.10837	0.2
283.02585	0.2
284.02371	0.2
290.04123	1.6
301.03214	1.2
301.10736	0.2
319.04404	100.0
320.04660	0.8
432.42270	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	481.0973
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13354	0.2
53.03924	0.6
54.81451	0.3
55.01865	2.2
55.05504	0.6
55.07613	0.3
57.03431	2.2
57.71584	0.3
61.02916	3.2
67.01825	0.3
67.05495	1.0
68.99759	2.2
69.03065	0.5
69.03413	10.3
69.07035	0.7
70.06561	0.5
71.04953	1.4
73.02892	1.2
79.05459	1.3
81.03400	3.4
81.07043	2.8
83.01314	0.4
83.04943	0.5
83.75356	0.3
85.02890	19.5
85.06538	0.5
87.04448	1.8
91.03937	0.5
91.05438	0.4
93.06999	1.1
95.08569	1.2
97.02875	8.2
97.06516	0.5
99.04417	1.6
99.08044	0.5
105.06973	1.0
107.04933	1.2
107.08554	1.5
109.02869	3.2
109.06427	0.3
109.10115	0.5
111.00800	3.1
111.04404	1.0
115.03934	1.0
117.07014	0.4
119.08539	0.6
121.02819	0.5
121.10101	1.2
123.04340	0.3
125.02319	1.8
125.05978	2.6
126.03093	1.8
127.03895	5.3
131.08528	0.4
133.04970	0.4
133.10103	0.6
135.11667	0.5
137.02321	6.8
137.05951	6.0
138.02661	0.5
138.06270	1.4
139.03873	0.6
145.04962	2.3
147.04289	0.3
149.06023	0.3
151.03954	0.3
153.01804	20.2
153.05406	0.3
161.09560	0.5
163.07529	0.4
165.01801	11.8
166.02609	0.7
167.03307	0.4
167.07025	1.9
168.07362	0.4
169.04904	1.8
171.04446	0.4
173.13264	0.4
177.05434	1.4
179.01900	0.5
179.03351	7.1
179.10634	1.4
180.10973	0.3
183.02843	1.1
189.03621	0.3
189.05414	1.2
193.01468	0.3
193.04945	0.4
195.02838	6.4
195.10188	1.6
197.11734	3.8
199.03784	0.5
203.03334	3.2
207.02846	4.8
217.05009	2.7
221.04411	1.6
227.03368	0.5
229.04854	0.6
231.02876	1.1
232.03563	2.3
235.02382	0.5
245.04393	9.3
249.03932	0.6
255.02901	2.1
259.02359	0.4
263.05548	0.7
265.18011	0.6
273.03876	14.5
283.02362	1.0
283.11752	0.6
283.18784	0.6
290.04166	3.4
301.03421	3.4
319.04419	100.0
320.04709	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.4043
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	0.1
55.05498	1.0
57.07051	0.5
61.19347	0.1
61.37567	0.1
64.33268	0.1
67.05492	2.3
69.07055	1.6
71.78945	0.1
79.05466	0.2
81.07035	2.7
83.04951	0.5
83.08617	0.9
91.05458	0.4
93.06995	0.5
95.08578	1.9
97.10138	0.5
106.59557	0.1
107.08570	0.4
109.06521	0.1
109.10140	4.3
111.11685	0.1
119.08549	2.3
121.06425	0.1
121.10091	0.1
122.07263	1.2
123.08010	0.2
123.11662	0.7
135.08038	0.2
135.11664	0.1
137.05943	0.2
137.09593	11.6
149.09512	0.1
149.13284	0.1
151.07524	0.1
151.14816	0.1
153.09018	0.1
165.09073	100.0
166.09390	0.7
177.09091	0.1
197.93372	0.1
223.06462	0.1
225.04105	0.2
275.27374	0.1
293.28085	0.1
299.06296	0.1
372.23807	0.1
397.80255	0.1
427.35693	0.2
445.36771	1.2
481.29480	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	480.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01886	4.4
55.05500	22.5
57.07058	4.6
65.99243	2.7
67.05503	34.5
69.07053	33.7
71.04986	12.0
76.55803	3.1
79.05463	15.0
81.07037	98.0
83.04955	5.6
83.08617	25.0
89.59490	3.2
91.05436	8.1
93.07026	34.4
95.04974	3.7
95.08573	100.0
97.10144	5.9
99.04433	7.0
105.07000	30.2
107.08582	33.1
109.06493	17.8
109.10138	66.5
119.08567	22.6
121.09350	3.4
121.10145	23.0
123.11658	26.9
125.05942	40.0
127.03907	17.0
131.08507	4.5
133.10114	8.5
135.11615	14.6
137.05951	83.6
137.13179	5.5
145.10033	6.2
147.11655	7.9
149.13237	6.5
151.07568	4.7
157.10083	5.0
159.11676	7.8
161.13196	5.5
163.14726	6.7
165.09050	8.8
167.07021	16.9
171.11583	5.4
173.13168	5.2
175.11119	5.6
185.13197	4.8
189.12743	3.6
225.04236	6.8
225.15955	4.1
288.60406	3.8
300.16275	3.4
319.29892	18.2
385.30798	13.8
403.31927	32.4
427.31744	4.0
445.32953	40.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	47.3
57.07067	11.4
62.06068	30.8
67.05489	41.0
69.07059	61.6
71.04971	7.6
79.05466	25.1
81.07030	59.0
83.04974	13.6
83.08595	31.4
91.05450	25.3
91.24353	4.8
92.08576	12.8
93.07030	49.8
95.08581	47.5
96.71333	4.9
97.06489	6.5
97.10152	20.6
98.98447	9.4
105.07001	23.6
105.38105	5.8
107.08582	35.0
109.10164	12.3
111.08038	8.7
119.08568	11.3
121.06483	13.8
121.10136	13.7
123.04384	6.6
123.08018	8.0
123.11697	8.4
133.10115	12.2
135.11710	8.8
139.07562	19.6
145.10120	8.4
147.11690	8.3
149.05951	32.3
159.11710	8.5
161.13045	5.9
165.08978	10.5
169.08638	7.1
183.69266	6.2
223.68535	5.5
308.29337	10.7
339.28937	100.0
341.10156	12.0
461.36240	24.7
462.36481	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	480.3081
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14806	2.3
55.05502	28.1
57.03418	4.2
57.07066	5.5
62.06076	26.7
62.50849	2.3
64.19535	2.5
67.05487	19.4
69.07054	34.3
71.08627	4.3
79.05471	10.0
81.07040	30.8
83.04966	15.4
83.08605	15.2
91.05412	3.9
93.07033	18.1
95.08575	29.9
97.10148	10.3
98.98451	6.3
101.43179	2.6
105.03387	13.1
105.07003	4.4
107.08598	9.9
109.10167	14.0
111.11741	2.7
112.34021	2.5
121.06475	2.8
121.10116	13.9
127.07577	3.1
135.11620	4.4
139.07550	15.1
149.05933	28.1
151.07526	4.1
163.07382	4.1
211.64781	2.8
265.24997	3.2
273.13342	2.8
308.29404	5.5
339.28879	100.0
341.10132	10.9
415.40692	3.2
419.25284	3.5
419.76382	2.5
461.36377	10.4
462.29861	5.3
462.36575	11.3
480.30603	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	480.2801
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.8
53.03943	1.4
55.01886	0.8
55.05499	4.8
57.03429	26.0
57.07061	4.9
59.04980	1.0
61.02916	6.8
67.05492	9.6
69.03065	1.4
69.03418	21.5
69.07057	30.6
71.01356	2.0
71.04977	61.7
73.02902	33.7
75.04451	2.3
79.05468	8.1
81.03399	1.8
81.07040	100.0
82.07355	1.0
83.04947	8.4
83.08582	1.2
85.02890	90.4
87.04441	2.3
92.65893	0.9
93.07019	5.4
95.04966	1.4
95.08586	33.0
96.08928	1.2
97.02876	25.1
97.10155	1.2
99.04446	2.0
105.06984	1.3
106.22109	0.9
107.08600	3.7
109.10145	8.9
111.04423	2.3
115.03903	12.2
116.99487	0.9
119.08534	1.0
121.10101	1.4
123.04391	1.2
123.11688	20.9
127.03899	7.7
129.05447	21.4
133.04945	1.2
133.10138	1.3
135.11690	1.6
137.13237	17.8
145.04961	5.4
147.06482	11.1
151.11172	13.3
153.05496	1.1
163.05966	1.7
163.07654	1.0
164.09149	3.8
169.12215	1.8
210.88025	1.0
239.35825	1.1
247.78880	1.0
259.08099	1.0
263.23740	1.9
283.15253	1.9
309.11908	1.1
409.40186	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	480.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04445	0.3
51.40648	0.3
51.72605	0.3
53.00297	0.5
53.03943	0.6
54.51040	0.4
55.01842	0.4
55.05497	3.0
57.03199	0.4
57.03427	5.6
57.07063	3.0
59.17637	0.4
61.02918	0.8
67.05486	4.1
69.03410	2.1
69.07052	3.6
69.44907	0.4
71.04975	30.9
72.49966	0.4
73.02906	0.7
75.04448	0.6
75.97645	0.4
78.12348	0.4
78.48038	0.4
79.05476	6.3
81.07037	100.0
83.04971	4.2
83.08623	0.9
85.02888	38.9
85.06528	1.9
87.04448	1.0
91.05452	0.7
93.07011	3.6
95.04947	0.6
95.08586	16.4
95.09186	0.6
97.02896	0.8
97.10170	0.5
97.81420	0.4
99.04425	1.0
105.07014	0.9
107.04947	1.9
107.08595	3.4
109.10143	4.8
111.04441	1.2
119.08521	1.0
121.10150	1.1
123.11683	1.9
127.03931	0.7
129.05460	9.6
135.11609	0.6
137.06010	0.6
137.13237	11.6
139.03870	0.9
145.04971	0.5
145.77095	0.5
147.06502	3.6
147.11580	0.5
149.13229	0.9
163.11211	1.1
164.09183	0.7
165.09047	0.6
191.10876	0.5
197.11784	1.0
202.43892	0.5
217.87491	0.4
240.50586	0.5
264.24161	0.7
265.17963	1.9
283.19046	0.8
325.20822	0.5
418.12943	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2438
Annotation	Unknow
Peak:m/z	Relative Intensity
53.19836	1.2
53.92587	1.2
54.71909	1.3
55.01863	3.9
55.05497	12.8
56.74488	1.3
57.03424	8.4
57.62243	1.3
61.02911	2.8
67.05498	14.9
69.03412	6.5
69.07047	10.6
71.04984	10.9
73.02924	2.0
79.05479	16.0
81.03399	9.7
81.07046	25.5
83.01327	2.1
83.04966	6.2
83.08594	8.8
85.02895	24.3
85.06522	2.4
86.09682	2.4
91.05463	8.5
93.07014	31.8
95.04952	3.7
95.08585	29.9
97.02859	10.8
97.06518	3.9
99.04433	6.6
99.08051	1.6
105.07014	8.6
107.04943	14.5
107.08564	24.7
109.02961	1.9
109.06508	3.4
109.10144	9.7
111.04414	1.5
111.08048	3.2
117.07001	8.9
119.08551	8.9
121.02805	1.6
121.06478	7.3
121.10104	11.8
123.04402	9.2
123.08028	2.6
123.11707	2.2
125.05956	20.4
127.03879	1.6
131.04904	6.0
131.08546	2.1
132.70753	1.6
133.06467	3.2
133.10121	3.4
135.08017	2.5
135.11652	35.0
137.05956	7.8
139.03859	5.4
145.10117	22.5
147.04311	1.9
147.08069	1.8
147.11624	1.7
149.02359	3.1
149.13300	1.7
153.01852	2.0
153.12703	3.4
161.05937	11.2
163.11130	48.6
181.12219	9.2
189.05408	12.9
191.10699	2.1
209.11603	2.4
227.12709	55.5
255.10135	9.3
274.18005	8.5
283.15353	100.0
283.18436	4.3
303.04620	6.3
317.06677	5.6
318.06808	18.0
333.06149	2.1
334.06339	7.1
373.89771	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	480.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.5
55.05504	18.4
56.96540	1.0
57.03430	11.1
57.33775	0.9
59.04990	1.3
61.02904	6.6
67.05490	14.8
69.03410	7.3
69.07054	10.4
71.04967	5.8
72.43456	1.1
73.02885	2.2
73.06509	1.0
75.04460	9.0
76.04849	1.0
79.05466	16.1
81.03397	13.7
81.07035	25.9
83.01323	13.9
83.04964	14.8
83.08607	13.1
85.02896	15.1
85.06522	1.6
86.09657	1.6
91.03959	1.2
91.05452	8.4
93.07020	28.6
95.04924	7.9
95.08598	12.7
97.02862	7.3
97.06499	5.7
97.10126	2.4
99.04440	4.5
99.08096	1.3
105.07007	10.1
107.04935	9.9
107.08566	17.8
109.02869	1.1
109.06484	6.4
109.10130	5.4
111.04424	4.4
111.08083	2.5
117.06992	7.1
119.08556	8.6
119.93750	1.2
121.02834	1.5
121.06476	5.0
121.10134	12.1
123.04390	2.1
123.08036	9.0
125.05948	1.3
130.07759	1.4
131.08530	4.8
133.10123	2.7
135.04341	1.6
135.08060	1.3
135.11682	16.4
145.10094	17.0
147.08128	1.3
147.11713	1.2
153.01842	2.0
153.12724	5.4
163.11151	31.1
173.09557	4.7
177.16364	1.8
181.12112	4.6
191.10634	4.7
197.48605	1.2
209.11629	7.8
217.04832	1.3
227.12793	8.7
275.05304	1.4
283.15353	100.0
301.16330	1.8
302.03717	1.8
303.04623	1.9
317.06256	3.6
318.06860	12.6
319.04037	4.4
333.05917	5.5
334.06299	16.2
348.07938	1.4
480.12372	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06324	2.3
52.18453	2.5
53.70912	2.3
55.05497	13.0
55.39506	2.7
56.45010	2.9
57.03437	39.8
57.07067	3.8
59.04980	3.4
61.02914	11.9
65.43991	2.9
67.05492	18.5
69.03413	49.0
69.06710	5.4
69.07058	100.0
71.01330	4.6
71.04972	25.3
73.02905	65.0
74.55813	2.9
79.05473	12.6
79.92624	2.8
81.03400	4.1
81.07047	77.4
82.07388	3.4
83.04983	6.1
83.08588	5.8
85.02895	86.2
85.06544	4.4
93.07025	16.4
95.08583	32.2
97.02879	51.8
97.06499	5.2
97.10137	3.4
99.04412	3.7
105.07044	7.6
107.08563	15.9
109.06476	3.3
109.10132	33.5
115.03895	32.0
119.08575	7.2
121.02808	2.8
121.10110	12.9
123.04400	5.6
123.11689	88.1
127.03908	12.3
133.04919	5.3
133.10103	5.1
135.11670	7.7
137.05983	5.8
137.13211	5.2
145.04950	7.0
149.13248	4.8
151.11172	41.8
159.11623	3.6
169.12190	4.7
174.72685	3.4
265.21533	3.5
281.24728	6.9
283.15329	13.4
283.26038	3.8
293.37625	3.0
295.09955	3.1
312.13113	4.3
358.53995	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	480.2439
Annotation	Unknow
Peak:m/z	Relative Intensity
52.06324	2.3
52.18453	2.5
53.70912	2.3
55.05497	13.0
55.39506	2.7
56.45010	2.9
57.03437	39.8
57.07067	3.8
59.04980	3.4
61.02914	11.9
65.43991	2.9
67.05492	18.5
69.03413	49.0
69.06710	5.4
69.07058	100.0
71.01330	4.6
71.04972	25.3
73.02905	65.0
74.55813	2.9
79.05473	12.6
79.92624	2.8
81.03400	4.1
81.07047	77.4
82.07388	3.4
83.04983	6.1
83.08588	5.8
85.02895	86.2
85.06544	4.4
93.07025	16.4
95.08583	32.2
97.02879	51.8
97.06499	5.2
97.10137	3.4
99.04412	3.7
105.07044	7.6
107.08563	15.9
109.06476	3.3
109.10132	33.5
115.03895	32.0
119.08575	7.2
121.02808	2.8
121.10110	12.9
123.04400	5.6
123.11689	88.1
127.03908	12.3
133.04919	5.3
133.10103	5.1
135.11670	7.7
137.05983	5.8
137.13211	5.2
145.04950	7.0
149.13248	4.8
151.11172	41.8
159.11623	3.6
169.12190	4.7
174.72685	3.4
265.21533	3.5
281.24728	6.9
283.15329	13.4
283.26038	3.8
293.37625	3.0
295.09955	3.1
312.13113	4.3
358.53995	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	480.207
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01856	6.3
57.03419	5.9
60.57430	0.6
61.02905	1.0
65.03932	1.8
67.05488	1.1
69.03403	5.7
70.06571	1.7
71.04962	0.9
73.02892	48.8
75.04472	1.3
79.05475	1.2
81.03404	3.5
83.04947	0.8
84.04482	0.8
85.02877	17.4
85.06538	1.2
91.05450	3.3
93.03375	0.8
93.07018	1.1
95.04945	10.6
97.02849	6.3
97.06487	0.8
98.97607	0.9
103.07551	4.2
105.07063	1.0
107.04920	0.9
109.02872	1.6
109.06445	1.0
110.03601	1.2
111.04440	1.4
121.06450	2.8
123.04386	20.3
125.05942	1.0
127.03889	4.3
133.06483	1.2
134.73177	0.9
137.05908	1.8
139.03885	0.8
140.04648	79.8
145.04904	2.9
147.06490	3.4
151.07526	1.6
153.05396	1.3
155.06990	91.2
156.10065	1.1
156.71884	0.7
160.05032	1.3
165.09120	0.8
167.07082	1.4
171.06477	3.6
173.08047	7.9
179.07008	1.8
181.04901	100.0
181.08469	5.0
193.08578	0.8
209.08052	22.8
225.07564	0.8
227.09074	52.3
265.14038	0.9
277.07321	1.1
283.11667	0.9
301.12729	83.7
302.13043	0.9
421.11435	1.3
422.06210	1.0
477.03348	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.2073
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.7
55.01852	3.4
56.38047	0.6
57.03422	5.3
57.69047	0.6
59.19106	0.6
61.02914	12.1
61.53395	0.7
62.62399	0.6
67.72719	0.6
69.03418	20.1
71.04967	3.7
73.02879	4.7
81.03408	10.2
85.02889	100.0
87.04437	1.4
91.03931	4.4
91.05461	1.6
93.07009	1.5
95.04929	0.8
97.02261	1.3
97.02869	25.3
99.04408	4.4
103.03924	1.0
103.05473	0.9
109.02860	9.3
117.07001	0.8
121.02851	1.4
121.06482	58.4
127.03891	20.1
131.08514	1.7
139.03894	2.7
145.04945	24.4
145.06433	2.8
147.04402	1.5
151.03908	0.9
151.07545	1.1
155.08629	0.7
157.06400	1.3
159.08040	5.2
161.05934	0.9
163.06059	6.6
163.07289	1.1
169.06448	1.1
171.08176	0.8
175.07481	1.4
179.07039	1.3
183.08057	1.0
187.07497	19.9
189.09082	0.8
201.09085	1.2
205.08517	10.5
217.08537	0.9
229.08711	5.2
237.71912	0.8
247.09644	9.0
265.10681	7.3
301.12808	1.3
325.11301	1.5
385.93884	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1709
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.4
54.76693	0.3
55.01858	0.8
56.96566	0.3
57.03428	2.5
58.86330	0.3
61.02919	3.9
65.03920	0.7
69.03411	8.9
70.06572	0.5
71.04960	0.8
73.02881	1.7
77.52388	0.3
81.03402	4.4
83.01299	0.4
85.02888	37.5
86.09733	0.3
87.04456	0.6
91.03928	1.9
95.04944	42.8
97.02866	11.4
98.97559	0.5
99.04428	1.5
105.04481	0.4
109.02862	3.5
121.02840	34.1
122.06010	1.4
123.04414	0.8
127.03873	6.0
130.63171	0.3
139.03877	100.0
145.04953	7.0
151.03886	0.6
162.05492	0.8
163.05965	1.5
168.06551	2.3
169.06886	0.5
182.02734	0.6
204.06506	2.1
213.02542	0.3
283.08008	1.8
293.03354	0.3
330.11758	0.5
333.60574	0.4
342.44119	0.4
368.09198	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	480.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	3.1
55.05506	2.6
57.03408	2.9
60.04507	6.7
66.97127	1.3
67.05485	6.2
69.03415	10.7
69.07047	2.6
71.04967	6.6
72.06217	1.5
77.95738	1.5
79.05476	3.3
80.39040	1.5
81.03390	5.7
81.07026	10.3
81.31149	1.4
83.08603	1.8
85.02888	23.3
91.05455	6.8
93.07016	3.1
95.08593	9.8
97.02851	7.1
97.10147	1.8
105.04451	1.7
105.07014	3.8
106.06564	12.2
107.04935	15.8
107.08562	3.8
109.10140	6.8
119.08555	1.6
121.06482	6.4
121.10130	3.6
123.04395	78.8
123.11698	2.6
127.03938	2.1
131.04907	19.0
133.06445	2.0
135.04379	9.3
135.08043	2.4
135.11819	1.6
137.02327	26.8
139.03868	10.5
142.61053	1.4
145.04942	1.6
145.06458	11.2
147.04379	17.1
148.07545	8.0
149.06013	1.9
149.09483	1.9
151.07565	2.0
159.04289	2.2
161.05984	2.4
174.06703	6.3
177.06978	1.9
179.07065	1.8
190.08588	1.9
194.07196	6.7
205.06444	9.2
206.07245	6.4
208.09760	1.8
209.09558	17.6
219.08058	3.5
222.06699	13.4
233.05919	2.6
234.06714	8.7
237.09064	53.1
248.08266	2.9
250.06223	3.6
251.07054	1.8
255.10103	17.4
265.08530	47.8
265.17880	1.8
265.21686	2.4
268.07120	1.8
273.07495	8.6
283.09576	100.0
299.49014	1.5
301.10529	3.1
302.04037	8.1
303.04498	7.9
317.06491	7.1
318.06808	13.4
480.12286	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	479.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00280	6.3
53.67437	4.6
55.05499	39.1
57.07063	100.0
59.18246	4.8
59.40804	5.8
65.06483	5.4
67.05483	28.4
69.07065	57.4
70.71205	5.4
71.08608	74.0
79.05457	30.3
81.07045	55.5
83.04970	7.0
83.08604	29.2
84.39290	6.7
85.10159	37.8
91.05429	7.6
92.64151	5.9
93.07034	57.0
95.08581	38.9
97.10161	14.5
101.06024	48.0
107.08579	53.4
109.06518	11.4
109.10121	10.9
111.11684	8.2
121.10110	31.6
123.11726	7.5
125.14310	7.5
127.07563	57.9
128.48764	6.7
129.05440	49.8
135.11714	23.3
143.87761	7.6
149.13223	11.7
163.14810	11.0
164.24094	6.4
166.05376	7.7
177.16489	6.2
180.75800	5.8
210.33534	5.7
289.28882	7.8
311.89319	7.4
357.89569	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	479.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.2
54.81547	0.1
55.05494	1.1
55.11236	0.1
56.46895	0.1
56.96532	0.1
57.03434	0.1
57.07038	0.1
66.53609	0.1
67.05492	3.9
69.03392	0.2
69.07051	1.0
71.04963	0.1
79.05477	0.8
80.74438	0.1
81.07034	4.7
83.04942	0.2
83.08602	0.6
91.05434	0.6
93.06985	1.4
95.04935	0.3
95.08582	4.0
95.42184	0.1
97.06523	0.1
97.10125	0.3
101.30499	0.1
105.06988	0.6
107.08567	1.2
109.06446	0.2
109.10138	6.3
119.08554	2.8
121.06420	0.1
121.10102	0.6
122.07266	1.4
123.11651	0.9
124.49242	0.1
133.10141	0.2
135.08031	0.3
135.11630	0.2
135.77322	0.1
136.94646	0.1
137.06085	0.2
137.09587	14.2
137.13179	0.2
139.15997	0.1
146.52881	0.1
149.09587	0.9
149.13194	0.2
151.14624	0.1
153.09096	0.2
153.45538	0.1
163.14830	0.2
165.09073	100.0
166.09410	0.3
177.08995	0.3
179.10585	1.4
187.11140	0.2
191.10741	0.2
191.17868	0.2
205.12189	3.1
247.03262	0.2
273.53024	0.2
291.26794	0.3
425.33939	0.8
443.34888	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48112	3.8
54.81799	6.4
55.05495	38.9
57.07067	34.7
57.07315	4.5
58.01685	3.6
67.05494	33.7
69.06712	6.2
69.07059	99.0
71.04971	31.0
71.08611	8.6
79.05479	10.0
81.07040	86.6
83.04955	5.2
83.08604	44.5
91.05434	7.0
91.71703	4.5
93.07039	26.7
95.08585	83.4
97.06486	4.7
97.10152	26.9
97.72242	4.3
99.04444	9.5
102.54299	5.4
105.07034	9.4
107.08569	30.8
109.06516	21.8
109.10133	41.1
111.11703	20.1
114.37405	4.7
119.08552	7.3
121.10143	24.1
123.11674	17.1
125.05981	100.0
125.13210	4.8
127.03877	49.3
133.10095	7.2
135.11696	9.9
137.05952	97.7
137.13203	5.0
139.07504	19.3
145.10147	5.4
149.05981	8.4
149.09584	7.4
149.13187	6.5
151.07449	9.1
157.74463	5.9
159.11705	5.7
161.09482	5.5
165.09096	26.4
167.07022	34.9
171.11720	5.2
175.11238	7.3
177.09079	29.3
179.06995	5.1
189.12802	7.3
204.70084	4.5
317.32251	7.5
401.34100	5.9
425.34180	10.6
443.34894	29.6
461.36151	26.6
471.21262	5.2
479.34814	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	479.3727
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	2.0
54.81622	2.0
55.01865	9.9
55.05511	47.6
57.07068	22.1
67.05486	32.1
69.03396	3.3
69.07054	80.7
71.04980	27.9
71.08608	13.2
79.05473	11.0
81.07033	100.0
83.04947	3.9
83.08595	49.0
85.06526	4.0
85.10162	5.7
91.05489	4.5
92.09007	21.2
93.07026	26.5
95.08582	76.4
97.10128	32.0
99.04417	16.5
105.07014	17.3
107.08560	21.5
109.06506	14.9
109.10138	44.7
111.04423	3.3
111.11686	17.7
113.05974	3.3
113.34133	2.7
114.50414	2.1
117.86349	2.5
119.08555	11.5
121.10113	14.5
123.08001	3.9
123.11684	22.7
125.05964	90.6
127.03880	38.0
131.08516	9.5
133.10094	5.0
135.07999	4.2
135.11673	10.2
135.53764	2.8
137.05951	98.7
137.13248	4.2
139.07547	19.5
143.08554	3.0
145.10085	10.8
147.11684	3.9
149.05913	3.6
149.09634	9.3
149.13271	3.6
151.07545	12.0
157.10143	5.0
159.07909	2.3
159.11697	10.0
161.09627	4.7
161.13246	5.8
165.05382	2.9
165.09186	2.6
167.07002	43.0
171.11652	4.4
171.74773	2.5
173.13176	4.3
175.11151	3.5
175.14859	2.6
177.09090	24.4
179.07072	4.3
183.11705	4.5
185.13199	2.6
191.10605	4.0
193.12041	2.9
198.10403	4.7
205.12207	4.7
213.12704	3.1
317.31799	2.5
335.33215	3.5
397.34567	4.2
401.33731	4.3
425.34091	4.0
443.35071	12.6
461.36209	17.7
479.34225	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	479.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23140	0.5
55.05510	8.9
57.07071	4.3
62.46638	0.4
67.05494	16.3
69.07053	11.5
69.19419	0.5
71.04982	0.5
71.08611	2.2
79.05474	3.1
81.07040	31.5
81.76655	0.5
83.08617	5.5
85.06499	0.5
85.10181	0.6
91.05465	3.2
93.07019	4.1
95.04951	0.9
95.08002	0.9
95.08583	20.0
97.10124	3.0
99.77122	0.5
105.06998	3.5
107.08575	7.0
109.10149	14.6
111.11729	1.0
119.08555	5.9
121.10124	4.3
121.54343	0.6
122.07265	1.0
123.08041	1.0
123.11681	5.9
131.08521	2.7
133.10098	1.2
135.08069	4.7
135.11703	1.2
137.07526	0.6
137.09608	13.2
137.13261	0.9
139.07553	0.9
145.10098	2.0
147.11688	0.9
149.09605	18.0
151.14838	0.6
156.05406	1.1
159.08133	0.7
159.11620	0.8
161.09569	1.2
163.07492	0.7
163.11151	11.6
165.09084	100.0
173.09605	1.3
173.13225	0.9
174.10320	0.7
175.07520	1.1
175.11185	3.9
175.12439	0.5
176.08264	1.1
177.09106	10.4
177.12723	0.9
179.10703	0.9
187.11197	2.8
188.69572	0.6
189.09033	2.2
189.12711	1.3
190.09895	2.8
191.10632	6.6
201.12581	2.0
203.10672	2.7
205.12218	11.3
219.13718	1.9
413.65280	0.7
415.32016	2.4
425.34155	4.2
443.29514	1.0
443.35172	24.0
461.90765	0.5
479.26218	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	479.3729
Annotation	Unknow
Peak:m/z	Relative Intensity
54.48112	3.8
54.81799	6.4
55.05495	38.9
57.07067	34.7
57.07315	4.5
58.01685	3.6
67.05494	33.7
69.06712	6.2
69.07059	99.0
71.04971	31.0
71.08611	8.6
79.05479	10.0
81.07040	86.6
83.04955	5.2
83.08604	44.5
91.05434	7.0
91.71703	4.5
93.07039	26.7
95.08585	83.4
97.06486	4.7
97.10152	26.9
97.72242	4.3
99.04444	9.5
102.54299	5.4
105.07034	9.4
107.08569	30.8
109.06516	21.8
109.10133	41.1
111.11703	20.1
114.37405	4.7
119.08552	7.3
121.10143	24.1
123.11674	17.1
125.05981	100.0
125.13210	4.8
127.03877	49.3
133.10095	7.2
135.11696	9.9
137.05952	97.7
137.13203	5.0
139.07504	19.3
145.10147	5.4
149.05981	8.4
149.09584	7.4
149.13187	6.5
151.07449	9.1
157.74463	5.9
159.11705	5.7
161.09482	5.5
165.09096	26.4
167.07022	34.9
171.11720	5.2
175.11238	7.3
177.09079	29.3
179.06995	5.1
189.12802	7.3
204.70084	4.5
317.32251	7.5
401.34100	5.9
425.34180	10.6
443.34894	29.6
461.36151	26.6
471.21262	5.2
479.34814	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	479.3728
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37062	1.7
53.78666	1.9
54.73588	1.7
55.01860	8.9
55.05505	49.2
57.07069	25.0
60.37730	1.9
60.81041	2.1
67.05495	24.2
69.07054	70.3
69.45903	1.8
71.04983	22.7
71.08607	12.7
79.05466	8.7
81.07036	90.8
83.04939	2.4
83.08606	41.6
85.10168	5.4
91.05418	2.3
93.07016	16.5
95.08588	70.3
96.05640	2.3
97.10155	24.3
99.04429	17.7
105.07000	4.9
107.08568	9.4
107.84631	2.1
109.06502	20.0
109.10132	32.4
111.04403	3.1
111.11062	1.9
111.11692	16.6
118.30161	1.9
119.08544	10.1
121.10126	11.9
123.11653	17.9
125.05972	93.3
125.13217	2.2
127.03885	32.4
131.08517	2.4
133.10120	2.9
135.11685	9.3
137.05962	100.0
137.13220	5.2
145.04967	2.3
145.10094	3.9
147.11644	3.0
149.05940	3.2
151.07506	9.3
151.14857	3.3
157.10080	4.0
159.11693	4.3
161.13243	5.0
163.11177	2.1
163.14835	3.0
165.09036	4.2
167.06996	38.2
171.11684	10.5
173.13286	3.2
175.11162	3.7
185.13120	2.6
189.12595	2.9
198.10323	11.1
207.20969	2.6
213.12808	2.5
219.13747	4.3
272.63837	2.5
277.58350	2.1
311.38879	2.4
317.32059	4.9
335.32980	12.4
401.34171	3.1
425.34113	8.3
443.34790	5.1
461.36197	11.4
483.15833	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	479.3739
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.4
57.03432	0.4
57.07053	1.6
67.05485	4.8
69.07050	8.7
71.04955	0.4
79.05483	2.4
81.03391	1.0
81.07029	8.4
82.03725	0.2
83.04973	0.4
83.08591	3.8
85.06519	0.4
91.05441	1.6
93.07014	2.6
95.04955	0.5
95.08581	8.6
97.06476	0.5
97.10143	2.6
97.99408	0.3
99.04353	0.3
105.07006	1.7
105.17773	0.2
107.04933	0.4
107.08567	3.4
109.06478	0.4
109.10134	9.3
110.91222	0.3
111.08070	0.4
111.11700	1.8
119.08556	3.8
121.06461	0.4
121.10099	1.2
122.07206	1.6
123.08036	0.3
123.11662	2.9
125.09602	0.5
125.13205	0.5
133.10101	1.2
135.08003	0.4
135.11665	1.4
137.09584	11.5
137.13223	1.1
139.11148	0.3
147.04286	0.3
147.11673	1.4
149.09570	0.5
149.13211	1.3
151.14758	0.4
153.12749	0.3
161.13205	0.4
163.14751	0.6
165.09067	100.0
166.09395	0.5
175.11162	0.3
177.09018	0.3
179.10664	0.5
193.15721	0.3
203.17970	0.3
205.12180	2.1
245.22533	1.3
263.23621	4.0
281.24832	1.9
291.26669	0.3
299.25775	0.5
325.86200	0.3
425.34091	0.4
435.26233	0.4
443.35089	1.1
461.28101	1.4
479.28922	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13818	1.0
53.03936	1.3
55.01872	1.7
55.05511	15.6
57.03426	5.1
57.07061	4.7
59.04976	1.4
61.14538	0.9
62.28885	1.1
65.03916	1.5
67.05492	30.2
69.03418	6.7
69.07055	27.2
71.04987	8.4
79.05475	12.9
81.03408	5.0
81.07044	100.0
83.08617	11.6
85.02893	16.4
85.06532	11.2
91.05466	2.7
93.03398	1.7
93.07029	27.6
94.64933	1.1
95.04966	2.5
95.08591	88.8
96.56199	1.1
97.02885	5.5
97.06538	4.7
97.10149	9.2
99.04453	1.4
99.08070	1.8
105.07018	12.5
107.04945	1.3
107.08576	24.8
109.02908	1.3
109.06518	1.1
109.10147	43.0
109.10862	2.2
111.04444	1.2
111.08049	1.6
111.11700	1.4
113.09647	2.7
115.03893	2.1
119.08549	10.3
121.02814	1.7
121.10128	22.6
123.11684	32.2
125.05944	1.9
125.09639	1.4
131.08524	1.5
133.10144	7.6
135.11682	16.6
137.13248	9.2
145.06447	1.2
145.10017	1.8
147.11633	8.9
149.13228	11.5
151.07559	2.2
151.11186	1.3
153.05447	54.0
161.13260	2.6
163.14752	8.6
165.09105	1.8
165.12689	1.6
175.14819	6.6
177.09068	1.6
177.16399	1.3
189.16373	5.5
245.22655	9.9
263.23663	33.6
281.24710	41.8
293.55698	1.4
299.25708	6.8
317.13705	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	479.3209
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14516	0.4
53.03919	0.7
55.05499	16.7
57.03417	0.9
57.07065	6.1
59.04992	0.7
61.02908	0.9
67.05489	32.4
67.05847	1.3
69.03405	3.9
69.07050	22.3
70.06586	0.5
71.04976	6.9
71.08595	1.3
71.10309	0.5
77.19289	0.5
78.84084	0.4
79.05049	0.9
79.05474	15.2
81.07034	100.0
82.07398	0.9
83.04949	1.2
83.08601	13.0
83.12691	0.5
85.02877	6.9
85.06529	7.1
86.09692	0.8
91.05450	9.1
92.09194	1.0
93.07019	35.1
95.04927	1.0
95.08578	85.5
95.11340	0.6
97.02850	1.1
97.06498	2.5
97.10136	8.7
99.08061	2.3
103.04035	0.5
105.04613	0.5
105.07010	14.5
107.04932	1.2
107.08572	31.2
109.10139	48.1
111.08058	1.8
111.11707	2.5
113.09641	3.8
119.08557	13.7
120.08098	0.6
121.10118	25.1
123.04390	2.1
123.08035	0.7
123.11681	19.1
123.51031	0.6
123.97628	0.6
125.09597	3.2
131.08519	1.0
133.10094	10.7
135.10637	1.0
135.11659	21.9
137.09560	0.7
137.13219	7.1
139.11203	0.6
145.27357	0.6
147.11650	8.9
149.09676	0.6
149.12010	0.7
149.13225	21.5
151.11168	2.2
151.14790	1.1
153.12697	1.1
161.03528	0.5
161.13216	6.6
163.14771	14.3
165.12672	0.6
165.16356	2.4
175.14767	7.6
177.07544	0.6
177.16351	3.5
189.16350	8.9
203.17928	2.6
205.19406	0.7
207.17577	0.8
239.79279	0.5
245.22588	17.0
263.23639	24.5
274.04614	2.8
281.24677	23.4
281.27695	1.1
281.87732	0.6
299.25766	10.9
302.04047	5.0
317.06488	9.8
317.26746	3.6
317.40494	0.6
460.61194	0.6
465.73892	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.3003
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	4.3
54.81427	2.5
54.88285	2.4
55.01873	6.2
55.05507	33.8
56.96547	2.7
57.03432	21.9
65.46468	2.5
66.33952	2.3
67.05498	87.7
69.07060	42.0
71.04975	6.6
73.02891	2.6
79.05481	63.1
81.03405	49.8
81.07041	100.0
83.04965	19.3
83.08612	21.1
83.77756	2.5
85.02930	27.2
86.88625	2.5
91.05460	60.1
93.07024	71.9
95.04951	29.4
95.08581	30.8
97.02869	5.4
97.06506	15.2
97.10178	4.3
105.07024	43.6
107.04948	11.2
107.08593	37.5
109.06481	4.2
109.10152	6.3
111.08062	11.3
113.46332	2.6
115.05380	3.0
117.07036	11.6
119.08546	27.4
121.06503	4.7
121.10123	22.3
123.11705	3.0
129.06995	14.4
131.08551	19.2
132.82085	3.0
133.10110	17.1
135.08052	4.2
145.04926	2.6
147.08005	3.4
147.11699	13.6
149.09601	10.5
149.13257	12.0
151.07506	3.1
151.94217	2.6
157.10052	5.8
159.11665	5.1
165.09123	3.6
171.03262	2.7
175.11218	12.5
177.12767	3.2
188.66252	2.6
189.04390	2.6
193.12161	19.8
211.13211	19.6
220.81490	3.0
267.15891	20.5
269.17401	14.0
285.10092	13.5
375.33167	3.0
426.97522	3.0
461.28961	29.4
479.30130	61.8
493.28384	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	479.1332
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01873	1.5
55.05237	0.8
55.05500	7.1
56.27231	0.8
57.03419	1.3
67.05492	8.1
69.03411	5.0
69.07050	11.0
71.04990	1.7
75.57966	0.8
79.05476	8.0
80.38200	1.1
81.03391	2.4
81.07037	15.0
83.04967	1.1
83.08588	2.1
85.02893	3.8
85.06546	3.8
89.23215	0.9
91.05478	5.5
93.07027	9.8
94.07391	1.2
95.04944	4.7
95.08591	13.2
97.02882	0.9
97.10137	1.1
99.04400	1.2
100.11216	1.1
103.05453	5.8
105.07011	4.7
107.04978	1.8
107.08574	7.8
109.06515	2.1
109.10105	7.9
111.08076	1.2
111.11707	2.4
117.06959	1.2
118.04157	4.7
119.04910	1.7
119.08569	2.5
121.06497	4.0
121.10141	5.5
123.08062	1.1
123.11707	1.2
125.09628	1.2
127.38307	1.2
129.07010	1.8
130.04126	2.0
131.04881	8.1
131.08519	1.8
132.05699	1.7
133.06467	1.5
133.10172	1.3
135.11662	1.7
137.02319	9.8
137.09518	1.6
140.04649	1.2
141.07068	1.0
141.52211	1.0
143.08583	1.2
145.10155	2.1
146.03592	2.1
147.04372	2.0
147.11717	1.9
148.05249	1.1
151.07523	1.3
157.10161	1.9
159.11818	1.2
161.05945	2.0
163.14821	1.8
165.09085	18.3
166.46730	1.0
167.07007	4.1
176.04654	5.1
177.05470	1.7
178.06248	5.4
179.14386	1.1
182.15491	1.3
187.03838	7.8
191.07004	6.8
192.07748	1.5
192.24731	1.0
195.17514	1.6
213.05428	13.7
225.05579	1.1
226.06238	17.2
237.05446	4.2
241.04913	100.0
242.05666	30.6
242.07988	1.7
253.04985	5.4
254.05711	2.2
255.06526	4.6
263.23938	1.3
267.06378	1.1
269.04358	13.0
270.05194	46.4
271.05975	36.5
281.04401	9.0
281.24414	1.3
283.06064	1.6
284.06763	2.0
285.07474	1.2
311.05359	1.9
325.07153	1.5
330.31863	1.0
381.22757	1.2
431.07303	2.2
436.31906	1.2
446.10062	1.9
446.78387	1.2
449.12195	7.1
461.12219	19.3
479.13275	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1183
Annotation	Syringetin 3-xyloside
Peak:m/z	Relative Intensity
55.05508	3.3
57.03437	16.1
58.01681	1.6
61.02920	2.7
62.31216	1.9
67.05485	10.5
67.06286	2.1
68.99751	1.8
69.03424	10.3
69.07047	10.4
71.04989	4.3
72.06153	1.9
73.02895	26.5
75.04455	3.1
79.05471	4.5
79.39217	2.1
81.03419	3.1
81.07045	18.7
83.04971	2.7
85.02888	21.6
91.05470	2.3
92.08620	4.2
93.07032	16.6
93.58925	2.3
95.04945	2.8
95.08594	22.1
97.02885	10.0
105.07006	9.1
107.08567	17.3
109.10156	4.8
111.08047	3.1
115.03941	2.3
119.08510	2.6
121.02802	2.0
121.10122	16.4
123.04401	3.4
123.11681	3.5
125.09589	3.4
127.03915	3.0
131.08557	2.3
133.10123	2.9
135.04344	3.4
135.11688	4.1
139.03886	4.4
147.04305	2.6
149.02307	3.6
149.13165	2.8
153.01791	15.5
153.05450	3.3
153.54474	2.5
167.03320	2.2
177.16328	11.3
178.16739	2.7
181.04913	2.5
183.02834	2.4
197.46512	2.2
213.05426	2.4
229.04866	2.7
243.06587	3.4
255.09543	2.5
257.04355	2.8
258.05222	13.1
271.05988	4.4
284.03122	2.1
286.04700	4.2
287.05478	13.4
303.04898	2.7
316.92941	2.4
317.06464	67.2
331.04529	3.3
332.05231	2.7
333.06046	16.4
347.07544	100.0
363.94266	2.4
474.30408	2.6
479.11758	2.6
479.18799	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	479.1179
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
50.21833	0.4
53.03906	0.5
55.05464	1.9
57.03395	0.6
61.02890	0.9
67.05457	1.2
69.03410	3.7
69.07009	2.1
71.04926	0.8
73.02843	2.0
79.05442	1.0
81.03363	1.2
81.07022	4.0
85.02885	6.7
86.09666	0.5
91.05432	0.9
92.37382	0.4
93.07018	4.2
95.04935	1.0
95.08570	4.5
97.02805	1.8
99.04355	0.5
105.06960	1.8
107.08531	2.6
109.10085	3.0
110.03606	0.8
115.05482	0.4
119.04884	0.6
119.08472	0.8
121.02753	0.5
121.10069	3.3
121.23176	0.5
123.04355	0.9
123.11653	1.0
125.09505	0.6
127.03814	0.9
133.10023	2.4
133.10930	0.6
135.11627	1.1
137.02260	2.7
137.05949	0.6
145.04912	0.5
147.04297	0.5
147.11580	0.8
149.13127	0.7
153.01750	2.6
159.11693	0.5
163.11121	0.5
177.16312	0.7
200.04555	0.7
204.04033	0.5
228.04073	3.7
229.04851	2.3
231.04825	0.6
245.04303	2.6
253.72736	0.6
256.03604	1.1
256.45456	0.5
257.04330	2.3
273.03668	0.7
274.04602	7.4
281.24832	0.6
285.03864	2.8
301.03381	20.1
302.04144	76.7
303.04715	1.2
317.06485	100.0
318.06821	0.9
479.11792	23.7
485.35855	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93946	0.2
53.03942	0.6
55.01863	0.7
55.05500	0.7
57.03429	2.2
57.03660	0.3
57.07059	0.3
58.03981	0.3
59.65073	0.3
61.02909	2.8
67.05483	1.4
69.03417	6.8
69.07060	0.7
71.04971	1.9
73.02889	0.8
76.06231	0.3
79.05471	0.6
80.81445	0.3
81.03400	4.8
81.07030	2.8
83.08571	0.5
85.02885	14.3
85.06522	0.4
87.04450	0.3
91.03938	0.5
91.05457	0.7
92.02594	1.5
93.03376	1.9
93.07020	2.2
95.04946	0.7
95.08586	3.0
97.02879	5.1
97.06493	0.4
97.10118	0.4
99.04418	0.7
104.57885	0.3
105.07034	1.3
107.04920	0.4
107.08575	1.7
109.02854	2.3
109.10142	1.6
111.08056	0.3
115.03915	0.3
119.08573	1.3
121.02830	1.6
121.10091	1.7
123.04378	0.4
123.11675	0.8
126.03118	0.6
127.03902	1.7
131.08493	0.4
133.10060	1.0
135.11650	0.8
139.03883	1.5
139.11179	0.3
145.04947	0.4
145.10014	0.3
149.13197	0.3
151.03865	1.4
153.01808	11.9
155.00784	0.3
157.10083	0.4
163.03831	0.3
165.01752	0.7
168.06522	0.7
201.05391	0.6
203.03360	0.7
217.04958	1.3
218.05618	0.6
228.04175	2.0
229.04901	5.6
231.02844	0.6
245.04411	1.9
246.05194	3.1
254.38281	0.3
256.03574	0.4
257.04364	3.6
257.40311	0.3
260.03110	0.5
273.03854	2.6
274.04642	6.3
281.24747	0.3
284.03000	0.5
284.64169	0.4
285.03885	6.8
302.04126	20.2
317.06485	100.0
318.06970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.118
Annotation	6-Hydroxykaempferol 3-methyl ether 6-glucoside
Peak:m/z	Relative Intensity
51.91163	0.3
53.03905	0.7
53.32622	0.2
54.39292	0.2
55.01828	0.4
57.03373	5.0
58.09522	0.2
59.04929	0.4
59.71240	0.2
60.99275	0.3
61.02855	2.2
61.19051	0.4
61.90960	0.3
64.45348	0.3
68.99760	0.4
69.03415	5.0
71.04974	23.5
71.05333	1.2
73.02864	0.6
76.56356	0.3
79.52786	0.3
80.36434	0.3
81.03403	3.0
85.02888	33.7
85.03362	1.2
87.04397	0.6
92.02541	2.1
93.03304	1.8
97.02888	4.5
99.04389	1.2
104.78226	0.3
109.02792	2.0
109.03497	0.3
111.00726	1.4
111.04298	0.3
121.02763	1.7
126.03067	0.5
127.03844	1.7
129.05487	2.3
137.02274	0.7
139.03860	3.1
145.04884	1.2
149.02312	0.4
151.03813	1.6
153.00613	0.6
153.01804	16.3
165.01794	2.7
166.02522	0.5
166.10179	0.3
167.03310	1.3
183.02815	0.4
189.05443	0.5
193.04865	0.4
200.04489	0.4
201.05441	0.7
203.03297	0.5
217.04892	4.3
219.02910	3.0
228.04068	2.8
229.04924	5.2
231.02733	0.6
233.04405	1.3
244.03542	1.6
245.04356	4.6
246.05098	3.1
247.02478	0.4
257.04462	4.1
259.05917	0.5
260.03058	0.4
261.04007	0.4
262.04321	0.4
273.03876	5.5
274.04645	6.7
277.06857	0.6
284.03018	0.6
285.03906	6.3
287.05191	0.5
289.03152	2.3
290.04083	1.3
301.03378	4.8
302.04150	18.9
306.29868	0.3
317.06491	100.0
318.03656	7.6
318.06955	1.0
333.05972	63.0
334.06186	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	479.1181
Annotation	isorhamnetin-3-O-glucoside
Peak:m/z	Relative Intensity
51.93946	0.2
53.03942	0.6
55.01863	0.7
55.05500	0.7
57.03429	2.2
57.03660	0.3
57.07059	0.3
58.03981	0.3
59.65073	0.3
61.02909	2.8
67.05483	1.4
69.03417	6.8
69.07060	0.7
71.04971	1.9
73.02889	0.8
76.06231	0.3
79.05471	0.6
80.81445	0.3
81.03400	4.8
81.07030	2.8
83.08571	0.5
85.02885	14.3
85.06522	0.4
87.04450	0.3
91.03938	0.5
91.05457	0.7
92.02594	1.5
93.03376	1.9
93.07020	2.2
95.04946	0.7
95.08586	3.0
97.02879	5.1
97.06493	0.4
97.10118	0.4
99.04418	0.7
104.57885	0.3
105.07034	1.3
107.04920	0.4
107.08575	1.7
109.02854	2.3
109.10142	1.6
111.08056	0.3
115.03915	0.3
119.08573	1.3
121.02830	1.6
121.10091	1.7
123.04378	0.4
123.11675	0.8
126.03118	0.6
127.03902	1.7
131.08493	0.4
133.10060	1.0
135.11650	0.8
139.03883	1.5
139.11179	0.3
145.04947	0.4
145.10014	0.3
149.13197	0.3
151.03865	1.4
153.01808	11.9
155.00784	0.3
157.10083	0.4
163.03831	0.3
165.01752	0.7
168.06522	0.7
201.05391	0.6
203.03360	0.7
217.04958	1.3
218.05618	0.6
228.04175	2.0
229.04901	5.6
231.02844	0.6
245.04411	1.9
246.05194	3.1
254.38281	0.3
256.03574	0.4
257.04364	3.6
257.40311	0.3
260.03110	0.5
273.03854	2.6
274.04642	6.3
281.24747	0.3
284.03000	0.5
284.64169	0.4
285.03885	6.8
302.04126	20.2
317.06485	100.0
318.06970	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.3369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.1
54.82088	0.7
55.01866	1.9
55.05506	8.6
56.05028	6.5
56.96558	3.1
57.03421	4.8
57.07058	2.8
58.06594	1.3
59.51152	0.6
60.04514	100.0
61.02911	4.8
67.05495	12.8
68.05023	1.3
68.67620	0.7
69.03422	8.7
69.07053	8.6
70.05508	0.7
71.04960	1.7
72.04504	5.8
73.02910	1.7
74.06059	6.3
79.05473	7.9
80.04982	1.1
80.05799	0.9
81.03397	6.8
81.07034	14.3
82.06548	3.0
83.04951	1.3
83.08610	4.2
84.04490	4.0
85.02892	16.7
86.06061	4.8
91.05454	8.5
92.09355	1.4
93.06513	0.9
93.07011	7.4
94.06565	1.3
95.04948	3.5
95.08577	12.7
96.08112	1.3
97.02875	9.1
97.06526	1.1
97.10147	1.5
98.06036	1.1
99.04424	1.9
102.05520	6.3
104.07098	1.4
105.07003	7.2
107.04952	3.3
107.08588	4.1
108.75290	0.8
109.02876	1.7
109.06564	0.8
109.10139	5.9
110.98648	0.7
115.03900	0.8
116.07044	1.0
117.05482	2.9
119.05000	1.0
119.08578	4.2
121.10123	4.0
122.09708	0.9
123.08051	1.1
123.11655	0.8
127.03896	3.2
129.07007	1.0
131.08519	1.2
131.73459	0.7
133.10089	1.3
135.08051	1.4
135.11691	1.8
143.08507	0.8
145.04970	1.0
145.10187	1.1
147.04439	1.3
147.11729	0.9
159.11662	1.0
206.10246	1.7
213.08969	0.8
224.11302	4.0
250.25362	1.3
262.25317	1.8
267.08798	0.8
280.26279	10.9
281.17581	1.2
285.10233	0.9
298.27304	8.6
316.28400	67.4
358.29413	4.3
442.31702	1.3
460.32645	4.5
478.33719	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2925
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	22.6
57.03439	14.0
57.07061	2.8
59.16946	1.4
62.31021	1.4
67.05495	43.7
69.07061	31.4
71.04990	2.7
72.42825	1.4
76.56550	1.9
77.04642	1.6
79.05473	15.5
81.07038	51.4
83.04951	1.6
83.08602	12.5
91.05460	9.3
93.07021	15.5
95.08584	35.8
97.09534	1.5
97.10151	6.5
105.07032	9.4
107.08582	8.2
109.10168	13.3
109.10773	1.5
119.08533	6.2
121.10137	6.1
123.08046	1.7
123.11674	1.7
133.10097	3.3
135.11673	2.5
136.14395	1.8
137.09535	1.7
137.90221	1.6
147.04404	2.4
306.27924	2.7
308.20343	1.7
337.27304	100.0
372.52676	1.8
485.80554	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2926
Annotation	LysoPE(18:2w6/0:0)
Peak:m/z	Relative Intensity
54.81475	3.0
55.05499	17.0
57.03417	3.8
62.06079	26.3
67.05507	47.8
69.07056	22.9
79.05450	11.4
81.07038	51.3
83.08610	6.6
91.05457	7.4
92.08594	3.3
93.07005	17.7
95.08585	45.7
97.10129	5.2
98.98432	15.9
105.06972	11.1
107.08585	7.6
109.10122	11.9
110.41649	3.3
118.90047	3.4
119.08533	5.3
121.10100	5.6
123.88076	3.0
125.43831	4.0
130.49626	3.5
151.07613	3.2
156.41464	4.2
161.05951	7.1
179.07030	23.9
180.07292	6.7
290.47827	3.9
293.62326	3.5
306.27869	14.2
335.49625	3.3
337.27292	100.0
460.28024	7.3
478.28870	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	478.2923
Annotation	LysoPE(0:0/18:2(9Z,12Z))
Peak:m/z	Relative Intensity
55.01860	0.6
55.05499	9.1
57.07056	0.5
60.08193	0.4
62.06072	0.6
67.05489	9.0
69.03407	0.6
69.07049	10.1
79.05481	3.1
81.07035	11.2
83.04926	0.5
83.08592	3.4
83.19622	0.4
85.05268	2.8
86.06060	0.4
91.05430	1.5
93.07034	3.8
95.04941	0.4
95.08597	7.4
96.08089	0.5
97.06503	0.4
97.10120	0.6
98.06028	14.7
103.05416	0.4
105.06988	2.6
105.47099	0.4
106.07435	0.4
107.08588	2.4
109.06533	0.5
109.10131	2.6
112.07578	2.1
119.08570	2.1
121.10143	1.9
123.11655	0.5
128.06239	0.4
131.08549	0.8
133.10146	0.8
135.11685	1.0
140.10631	0.5
143.08485	0.5
145.10118	0.5
157.10129	0.6
159.11653	0.6
165.09116	0.5
168.13817	0.5
184.39449	0.5
194.15291	0.5
196.16864	0.5
208.16953	0.7
221.45624	0.4
306.27847	100.0
318.77689	0.5
324.29141	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.6
54.40520	0.7
55.01857	5.0
55.05497	7.7
55.10776	0.7
57.03423	4.2
57.07056	1.6
57.73448	0.9
60.48852	0.9
61.02903	3.8
67.05476	4.0
67.21748	1.0
68.99761	1.4
69.03416	18.6
69.07050	18.2
71.04955	5.4
73.02895	1.8
79.05466	7.9
81.03397	11.4
81.07034	16.5
83.08597	10.7
84.84365	0.8
85.02889	45.8
85.06525	2.1
87.00807	21.1
91.05465	2.1
93.07018	20.0
95.04940	1.5
95.08000	1.9
95.08574	38.0
97.02857	15.9
97.10152	6.6
99.04420	7.0
99.08061	8.1
104.81181	0.9
105.01842	16.0
105.07005	6.7
107.08572	52.3
109.02856	11.9
109.06460	1.2
109.10133	9.6
111.08053	4.7
117.01850	1.0
119.08531	4.8
121.10114	73.8
123.11661	2.3
125.09584	4.8
127.03883	20.4
129.01746	1.3
132.65164	1.0
133.10144	2.1
135.11673	22.6
137.13210	10.2
145.04929	6.6
147.11707	1.2
149.02354	1.3
149.13214	7.5
159.02919	5.0
175.14847	1.5
176.15047	1.2
177.16341	100.0
178.16650	1.0
184.60989	0.9
192.38376	1.0
195.17383	17.0
209.36552	1.3
213.11177	1.0
213.18420	13.8
223.66273	1.1
231.04958	4.8
249.05949	1.8
299.10095	5.1
317.06439	1.4
317.11224	5.9
364.82819	1.0
373.37537	1.0
479.16315	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.2644
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.1
53.03925	4.1
54.81694	1.1
55.01846	0.8
55.05498	10.6
57.03426	14.7
57.07067	1.4
59.04989	0.9
61.02913	1.8
65.03933	1.4
67.05482	6.7
69.03417	5.3
69.07047	7.7
69.13953	0.9
71.04971	100.0
73.02892	5.2
75.04457	4.5
79.05466	13.8
81.03396	0.9
81.07030	9.9
83.04961	11.9
83.08583	1.4
85.02885	100.0
85.06517	2.0
86.09684	3.9
87.04449	1.9
89.36420	0.9
91.05454	21.7
93.07014	57.3
95.04957	7.9
95.08548	6.7
97.02848	3.8
97.06516	1.0
99.04433	4.9
101.05999	1.4
105.07006	11.0
107.04916	1.6
107.08572	65.0
109.06510	6.2
109.10152	4.3
111.04434	6.2
115.03901	1.9
117.06985	1.4
119.08527	6.8
120.08089	5.5
121.06475	4.1
121.10110	5.5
123.08054	1.0
123.11668	1.3
125.05968	1.4
125.09586	1.5
127.03860	4.0
129.05453	24.0
131.08516	1.8
133.10107	1.7
135.11655	28.1
137.09679	1.0
145.10120	1.6
146.08128	1.2
147.04503	1.2
147.06531	9.6
147.11636	1.4
149.09637	5.0
149.13242	3.8
159.11661	1.7
164.09105	6.9
165.09076	1.9
165.12766	1.0
217.15692	0.9
263.16367	1.8
281.17508	2.3
300.89951	1.0
491.53247	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
55.01859	0.7
57.03412	1.2
61.02887	0.9
69.03417	100.0
71.04983	1.0
72.08116	0.8
79.05474	1.0
81.03403	4.5
85.02895	9.2
90.89491	0.8
91.05447	5.2
92.45704	0.7
95.04946	3.1
96.06718	0.7
97.02863	6.0
103.05450	1.7
105.07054	1.3
107.04973	3.3
107.08572	0.8
109.02850	1.5
111.04408	0.7
115.03911	97.5
115.05440	6.8
117.07001	8.1
119.04901	3.7
119.08607	0.8
121.06459	0.7
123.04399	7.4
127.03905	18.9
129.06987	1.7
131.04936	5.7
131.08531	1.5
133.06400	1.3
135.04384	16.9
137.06012	1.6
143.04869	1.5
144.05684	3.4
145.05232	1.3
145.06459	19.1
147.04395	9.1
147.08015	3.1
154.08665	1.1
155.04907	0.9
155.05946	1.1
155.07013	20.4
157.06459	3.7
159.04396	1.3
159.08032	4.5
160.05223	1.3
161.05940	4.3
163.07512	1.7
165.05367	0.8
167.06989	9.1
171.04462	1.2
173.05978	14.4
175.07516	5.6
176.04716	1.2
179.07092	0.8
179.08495	2.6
183.06491	1.3
183.08043	3.7
186.03087	0.8
187.07446	6.0
189.05458	1.3
191.06982	18.2
191.08600	0.9
201.05449	3.3
203.07030	7.6
205.08588	1.8
207.08075	6.8
207.10100	1.2
213.05553	1.4
219.06482	9.5
221.08095	1.6
224.10716	1.7
235.09674	1.1
237.07512	1.3
251.09151	5.1
253.08641	4.1
257.07977	1.0
263.09128	6.1
269.10165	8.9
270.11203	7.4
279.12769	0.8
280.30576	0.8
281.10159	15.2
299.11264	9.1
316.11627	6.2
406.72324	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	478.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03429	0.6
61.02866	0.4
63.41498	0.4
65.66225	0.4
69.03411	100.0
70.06570	0.5
71.04971	0.7
79.05461	0.9
81.03391	2.2
83.04976	0.5
84.04465	0.5
85.02880	5.5
91.05454	3.4
92.08631	0.7
95.04937	2.5
97.02866	5.6
97.52171	0.4
99.04425	0.6
103.05445	2.5
105.07018	0.7
107.04929	2.9
109.02849	0.9
109.06496	0.5
115.03903	96.0
115.05430	7.1
117.06985	9.3
118.04155	0.7
119.04916	2.4
119.08519	1.0
123.04387	5.9
127.03886	18.9
128.06213	0.6
129.06960	2.6
131.04895	5.8
131.08531	2.4
133.06470	2.0
135.04378	14.3
135.75671	0.5
137.05981	0.7
140.04660	1.8
141.06941	0.8
142.91451	0.5
143.04887	3.0
144.05667	2.6
145.05063	0.8
145.06436	14.7
147.04326	3.4
147.08060	1.8
148.05116	0.5
149.05884	0.7
152.60583	0.5
155.05934	1.9
155.07002	20.7
157.06487	4.3
159.04329	0.9
159.07997	2.5
160.05171	1.9
161.05946	5.2
162.95107	0.5
163.03806	0.4
164.04214	0.5
167.06973	8.1
167.34447	0.5
171.04358	0.8
172.05167	0.7
173.05931	11.5
175.07506	5.5
176.04587	0.9
183.04268	0.5
185.05894	0.7
187.07500	4.6
189.05287	0.9
190.06055	0.8
191.06995	13.2
201.05367	4.4
203.06967	6.2
205.08594	3.5
206.05719	1.9
207.10059	0.9
213.05487	0.7
219.06508	6.3
219.09984	0.6
221.08026	0.7
228.80360	0.5
233.07977	1.7
235.09557	0.5
249.07535	0.7
251.09056	4.8
263.09076	4.1
269.10101	8.1
270.11041	0.8
281.10132	9.5
299.11230	9.5
316.11703	0.7
394.11722	0.5
431.22290	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.4089
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42392	8.1
51.46701	8.7
62.33090	8.2
66.02305	10.7
67.05481	20.7
75.39300	9.2
81.07030	70.1
92.08902	100.0
92.63900	9.7
93.07032	46.6
95.08585	50.0
105.06997	40.2
107.08565	49.3
109.10104	13.6
113.23235	11.1
115.26670	10.5
119.08507	21.0
120.60989	10.4
121.10114	14.0
123.11658	10.5
127.99877	8.9
133.10085	18.9
133.36259	10.0
135.11615	24.2
147.11719	11.1
149.13234	20.7
159.11644	10.0
174.55299	12.4
175.14900	10.4
204.08301	10.8
217.19588	9.5
477.40546	16.9
491.56656	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	477.4088
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81902	1.4
54.79939	1.5
55.05492	17.4
57.07063	4.2
60.83918	1.7
61.61795	1.6
61.68136	1.5
67.05488	35.2
68.98497	1.8
69.07058	28.6
71.04976	15.7
71.18513	1.7
79.05479	27.7
79.96083	1.7
81.07037	99.1
83.08588	9.2
85.06519	2.0
91.05457	26.7
92.09392	6.7
93.07024	67.1
95.04953	4.3
95.08584	100.0
97.10142	6.4
105.07017	54.4
105.07726	1.9
107.08583	73.5
109.06513	4.4
109.10141	57.3
111.08054	11.2
111.11701	2.9
117.06997	10.1
119.08570	56.8
121.10116	56.2
123.11693	25.2
131.08551	19.9
133.10104	35.6
135.11670	32.5
137.09633	2.9
137.13211	7.1
143.08527	4.1
145.10097	37.4
147.11655	31.5
149.13240	43.7
149.14333	2.7
157.10112	10.7
159.11661	35.4
161.13232	26.1
163.14783	18.4
171.11647	4.1
173.13217	19.2
175.14758	19.0
177.16370	7.3
182.13750	1.7
185.13258	6.8
187.14818	12.8
189.16388	16.3
191.17943	4.3
199.14832	9.1
201.16281	13.1
203.17900	11.1
206.59381	1.8
209.13460	1.8
211.14690	2.6
213.16336	9.7
215.17886	13.4
217.19417	20.1
227.17950	4.1
229.19505	8.1
241.19368	1.8
243.21088	2.8
257.22629	4.4
259.24167	3.0
265.80066	1.7
285.25723	2.6
346.79428	1.9
361.10129	2.0
406.80591	2.3
419.36755	2.7
459.39871	3.6
477.40851	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	477.409
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	19.8
57.07040	3.7
65.76227	2.8
67.05490	26.0
69.07046	24.7
71.04984	10.6
79.05468	30.1
81.07040	100.0
83.08578	7.3
91.05451	23.4
93.07017	93.3
95.04955	3.7
95.08582	92.9
97.10135	14.2
105.07008	61.8
107.08569	70.9
109.10141	52.0
111.08074	12.2
117.07056	3.3
119.08562	85.1
121.10114	58.9
123.08021	3.2
123.11717	24.1
126.09385	3.0
129.89709	3.9
131.08540	12.6
133.10129	30.9
135.11688	30.8
137.09558	3.6
143.08504	4.5
145.10100	30.6
147.11694	33.5
149.13228	34.9
151.14699	3.5
151.52151	3.3
157.10074	5.1
159.11629	35.6
161.13298	24.6
163.14748	22.3
171.11717	4.4
173.13197	20.9
175.14804	14.6
177.16333	3.9
185.13148	4.6
187.14783	14.9
189.16447	10.5
197.53133	3.4
199.14723	4.7
201.16364	7.4
203.17892	5.4
215.17943	11.9
217.19508	17.8
219.70471	3.3
229.19533	4.5
231.21021	4.9
459.39822	5.9
467.91782	3.8
474.36728	3.5
477.40955	45.1
483.50903	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	477.3573
Annotation	Oogoniol
Peak:m/z	Relative Intensity
53.03952	4.3
55.05503	44.9
57.07065	5.7
58.96266	4.2
67.05484	32.5
69.07054	49.2
69.19919	3.9
71.04986	4.9
79.05474	26.2
81.07034	100.0
83.04967	5.4
83.08600	26.0
91.05446	22.7
93.07027	34.3
95.04916	6.3
95.08588	73.9
97.06449	5.3
97.10143	5.3
105.07017	25.3
105.55440	3.5
107.04984	5.6
107.08541	34.3
109.06497	7.4
109.10152	34.4
118.52444	3.2
119.04912	5.6
119.08553	20.7
121.06487	42.7
121.10136	16.9
123.08055	20.7
123.11690	23.9
125.05968	13.8
127.07532	15.4
131.08559	15.7
133.10121	20.4
135.08035	8.8
135.11693	7.7
137.05965	9.2
137.09604	6.9
139.06499	5.5
139.07521	65.7
145.10098	8.1
147.11684	6.8
149.09608	19.6
151.07501	22.7
157.10159	5.5
159.08051	5.0
159.11674	15.0
159.93037	3.7
161.09604	7.1
163.07518	4.5
165.09084	60.4
167.07048	6.2
169.08681	4.4
169.10086	5.4
171.11571	12.4
177.09099	17.6
179.06987	74.4
185.13278	4.4
189.09128	5.7
189.12764	7.3
202.09923	6.3
203.10640	22.8
205.12274	6.6
219.13899	4.8
231.13933	4.3
292.27130	4.2
293.51440	3.5
321.29083	3.5
413.33875	4.7
423.33063	5.8
441.33463	35.4
459.34424	36.4
477.35675	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	477.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	31.2
57.07066	6.3
57.38545	3.2
67.05492	38.3
69.07043	40.7
79.05470	21.4
81.07037	80.8
83.08610	18.3
91.05472	15.8
93.07006	33.1
95.08588	59.8
97.06458	4.1
97.10140	15.5
105.07001	22.2
107.04945	4.4
107.08562	31.8
109.06482	7.1
109.10141	42.7
119.08556	16.8
121.06458	27.6
121.10111	18.2
123.11659	15.9
125.05973	6.3
127.07542	8.2
131.08611	3.6
133.06477	4.5
133.10077	15.6
135.07993	4.3
135.11707	16.4
137.05974	25.3
137.09573	24.7
139.07518	55.5
143.08534	4.3
145.10066	8.6
147.07974	4.9
149.05968	4.5
149.09599	20.7
151.07527	16.7
159.11659	6.6
163.07520	4.6
165.09070	100.0
167.07047	3.9
171.11783	4.1
173.09529	4.1
175.07582	6.0
175.11267	5.1
177.09123	9.2
179.07008	21.4
203.10585	8.9
205.12230	15.0
409.20084	3.7
431.34930	4.1
441.33569	21.4
459.34689	26.4
477.35538	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	477.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	3.5
55.05508	41.8
57.07057	18.5
67.05486	35.4
68.59045	2.2
69.07059	63.4
69.34255	2.6
71.04966	5.1
71.08607	5.7
73.22139	2.7
77.45100	3.1
79.05479	20.6
81.07040	100.0
83.08596	32.4
91.05450	12.2
93.07029	37.3
95.08583	80.6
97.10136	14.3
99.04433	23.8
100.01115	2.6
105.07001	14.3
107.08572	37.7
109.06502	20.2
109.10139	29.9
111.04408	6.2
111.11710	5.9
119.08556	13.8
121.10133	25.5
123.08076	3.3
123.11677	16.4
125.05963	13.9
127.03909	36.6
131.08475	10.0
133.10098	12.9
135.11670	14.7
137.05945	84.2
137.13222	10.9
141.05426	4.9
142.07683	3.5
145.10117	6.1
147.11644	10.7
149.09612	11.4
149.13251	4.4
151.07518	5.3
155.07040	3.3
157.10110	5.7
159.11707	12.2
161.13277	3.6
163.14757	3.5
165.09056	5.6
167.07008	3.5
173.09502	5.1
175.11192	4.7
177.09064	4.3
183.06470	20.4
187.11176	5.4
188.08380	2.8
189.09062	5.7
191.10698	2.9
203.10648	25.8
217.12169	3.4
235.09633	3.3
247.70393	2.6
275.27371	4.5
315.30356	3.6
399.32504	14.8
417.33218	3.4
435.42368	2.8
459.34381	30.1
477.35358	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	477.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	3.3
55.05503	25.3
56.42358	1.2
57.07064	10.7
62.96480	1.2
67.05489	30.4
69.07053	35.3
71.04974	18.4
71.08605	2.6
77.55112	1.4
79.05475	9.2
81.07037	100.0
83.04951	2.6
83.08605	17.6
85.10165	1.6
90.67588	1.3
91.05438	2.7
93.07030	16.7
95.05013	1.8
95.08587	61.7
97.06499	2.4
97.10142	11.3
99.04430	6.1
105.07018	5.4
107.08582	17.6
109.06496	13.9
109.10136	37.3
111.04430	1.9
111.08038	1.8
111.11708	6.0
114.22840	1.5
119.08548	7.4
121.06506	2.0
121.10123	6.9
123.08022	1.7
123.11682	25.8
125.05967	42.7
127.03894	18.9
131.08553	5.3
133.10057	4.5
135.08011	2.5
135.11693	5.3
137.05951	71.2
137.13228	8.4
139.07501	7.4
143.08553	2.1
145.10088	2.8
147.11646	2.2
149.05954	5.9
149.09645	1.7
149.13263	2.6
151.07515	3.3
151.14839	3.1
156.09338	1.6
157.10094	6.6
159.11652	3.3
161.13185	2.8
163.14821	2.5
164.94844	1.3
165.09088	19.2
167.07031	30.9
171.11670	6.9
175.11101	3.3
177.09108	3.4
177.12848	1.6
179.06905	1.8
183.11658	1.6
189.12720	3.2
198.10411	2.4
213.12726	5.0
231.13617	2.2
333.31500	2.9
399.32498	11.0
413.34097	3.4
417.33585	8.9
431.35214	1.5
441.33554	2.8
459.34674	8.5
477.34692	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	477.3571
Annotation	Oogoniol
Peak:m/z	Relative Intensity
55.01872	1.6
55.05502	11.4
56.92085	0.9
57.07049	2.4
67.05494	15.4
69.07058	14.1
71.08585	1.6
71.56261	1.2
79.05475	11.5
81.07039	40.1
83.04964	1.8
83.08595	7.8
91.05452	7.0
93.07036	10.3
95.08585	26.9
97.06530	2.2
97.10123	5.3
105.07022	14.9
107.08581	10.9
109.06493	18.5
109.10125	13.9
111.08054	1.1
111.11742	1.8
119.08545	5.3
121.06467	1.4
121.10143	2.2
123.08036	5.2
123.11691	7.0
125.05965	25.9
131.08469	1.1
133.06496	17.0
133.10123	1.3
135.08025	8.5
135.11688	1.6
137.05959	84.4
137.09555	1.4
137.13243	1.6
139.07503	2.2
145.10141	2.1
147.11649	1.9
149.09621	2.6
151.07526	37.4
153.09074	1.7
154.18808	1.1
157.10138	1.6
157.99004	1.1
159.11674	1.2
161.05934	19.8
161.09531	1.8
163.07492	2.7
164.96913	1.1
165.09099	4.1
167.07027	2.3
175.11194	1.6
179.07002	82.3
189.09097	1.1
189.12695	1.7
193.12192	1.2
201.12756	1.5
203.14320	1.3
413.33853	7.5
417.33572	1.6
431.35107	8.8
441.33575	17.0
459.34616	100.0
460.34750	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3571
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44487	1.1
53.03928	1.8
55.05504	32.5
57.07071	12.1
63.27524	1.2
67.05493	40.6
68.61202	1.2
69.03422	2.3
69.06714	2.1
69.07055	39.5
71.04971	1.6
71.08614	2.4
71.48657	1.3
79.05473	21.1
81.07036	100.0
83.04938	2.8
83.08607	17.2
85.06516	3.0
89.54559	1.3
91.05456	10.7
93.07018	30.7
95.04943	1.9
95.08580	75.3
95.09198	2.5
97.06504	3.2
97.10130	11.0
99.00574	1.3
105.07008	15.0
106.11474	1.4
107.08553	21.7
109.06498	10.2
109.10143	37.2
111.08055	2.9
111.11676	1.8
117.06973	1.6
119.08559	14.1
121.06516	3.3
121.10127	18.5
123.08038	11.8
123.11686	22.6
125.05952	2.4
125.09613	2.5
129.06998	1.3
131.08556	7.5
133.10049	9.7
135.08067	3.2
135.11682	8.8
137.05949	10.6
137.09549	5.3
137.13237	8.4
139.07503	29.5
143.08557	2.0
145.10191	2.3
147.11668	9.5
149.05948	8.1
149.09633	14.4
149.13258	7.3
151.07513	16.7
153.09100	1.9
157.10080	5.9
159.07985	2.6
159.11687	5.6
161.13170	2.1
163.07542	2.5
163.11264	1.9
163.14760	1.9
165.05437	2.8
165.09076	31.1
165.16357	1.8
167.07008	9.4
171.11693	6.6
173.09492	2.4
174.10384	1.9
175.07578	1.6
175.11154	6.3
175.14761	2.3
177.09073	21.6
177.12645	1.5
179.06992	11.4
181.08400	1.4
185.13242	1.8
187.11137	2.1
189.09108	5.7
189.12726	2.6
191.10661	2.2
193.08582	2.4
199.11177	2.3
202.09868	2.2
203.10655	18.6
205.12233	2.5
209.13255	1.7
213.12778	1.8
213.32082	1.5
217.12404	2.5
231.13730	3.0
250.66510	1.3
259.75165	1.5
274.46854	1.4
276.35880	1.3
283.16812	2.2
293.64676	1.4
321.28128	2.2
413.33939	7.1
417.33301	2.7
423.32343	2.5
431.35324	3.1
438.93652	1.6
441.33456	24.1
459.34506	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	477.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
52.56303	3.5
52.82861	3.7
53.43782	3.8
55.05504	43.1
57.07063	10.0
58.48280	4.8
63.46770	4.1
67.05481	28.9
69.07041	60.6
71.08597	5.4
74.86614	4.3
79.05473	30.9
81.07034	100.0
81.57011	4.8
83.08591	24.8
91.05434	19.1
93.07040	36.6
95.08582	65.4
97.10187	20.4
99.04441	8.0
105.07005	32.6
107.08566	41.3
109.06490	8.1
109.10136	43.4
117.06941	8.2
119.08549	28.4
121.10112	24.8
123.11666	19.8
125.05958	11.0
127.03883	29.0
131.08553	7.1
133.10110	20.1
135.11691	7.2
137.05949	66.0
145.10130	11.0
151.07498	7.6
153.05464	6.8
157.10086	6.2
159.11676	27.3
175.11086	7.8
183.06448	8.5
185.09541	8.2
203.10652	23.1
205.38208	4.9
301.11801	5.1
441.33173	6.3
459.34433	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3572
Annotation	2,3-diepi-25-Methyldolichosterone
Peak:m/z	Relative Intensity
51.11752	3.1
51.48941	3.3
55.05507	52.3
57.07062	22.3
57.81034	3.1
60.90665	3.4
67.05481	34.1
69.07055	72.3
71.04972	6.6
71.08607	5.8
74.73237	4.0
79.05479	23.0
81.07031	100.0
83.04967	6.3
83.08583	30.1
87.04439	8.0
91.05466	18.4
92.09164	13.9
93.07022	48.6
95.04958	5.5
95.08585	81.2
97.10170	17.9
99.04451	8.2
105.07034	30.1
107.08566	41.6
109.06499	9.2
109.10147	48.1
111.84383	3.7
119.08546	36.8
121.10111	29.9
123.08020	6.3
123.11691	17.1
125.05993	14.9
127.03889	19.8
131.08566	7.8
133.10106	7.7
135.08063	5.5
135.11652	9.7
137.05957	43.3
137.13246	4.0
139.03882	6.8
139.07495	4.4
141.05464	6.0
145.10101	6.7
147.11665	8.9
151.07393	4.4
155.06982	35.2
157.10118	9.4
159.11667	6.4
161.13278	5.5
162.58928	4.5
163.07474	4.9
173.09587	4.1
173.13293	6.6
175.14676	4.6
177.16144	4.6
183.06523	8.5
203.10687	5.9
235.09653	9.1
315.30530	6.2
333.31876	5.8
417.33447	21.8
427.15295	4.2
429.04190	4.7
459.34900	8.6
477.26321	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
50.35762	1.2
55.01860	3.4
55.05503	27.7
57.01009	1.5
57.07052	6.6
60.54409	1.3
65.02199	1.4
67.05490	28.4
68.31933	1.3
69.07050	31.0
71.04962	12.7
71.08601	2.0
79.05473	15.8
81.07033	100.0
82.91173	1.6
83.04951	1.7
83.08604	15.0
91.05450	8.2
93.07015	19.2
95.04960	2.0
95.08579	70.5
97.06483	3.0
97.10159	16.6
99.04417	9.4
105.07012	14.9
107.08561	20.5
109.06493	15.6
109.10141	34.3
111.04404	1.5
111.08042	2.3
111.11679	7.0
119.08537	12.9
121.10088	11.2
123.11676	24.1
125.05149	2.4
125.05978	45.5
125.09606	1.7
127.03887	15.7
129.06993	1.8
131.08528	3.2
133.10080	6.0
135.11649	9.0
137.05954	66.4
137.09512	1.7
137.13234	6.2
143.08505	3.1
145.10121	8.1
147.11667	6.8
149.05962	2.3
149.09596	2.8
149.13240	6.2
151.07510	3.3
151.14838	1.7
152.49509	1.5
156.09328	2.0
157.10106	6.4
159.11617	10.5
161.13179	3.7
163.14828	3.1
165.09077	1.7
167.06992	18.7
171.11652	9.7
173.13292	2.4
175.11150	2.7
180.97044	1.6
185.13287	2.7
187.11116	1.9
189.12671	2.2
189.16327	1.8
198.10390	3.6
203.14334	2.3
213.12683	2.3
273.18506	1.5
281.28159	1.8
333.31497	7.4
375.54025	1.5
399.32446	9.4
413.33664	2.1
417.33401	8.2
423.32385	2.3
441.33517	3.4
459.34616	6.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	14.4
55.05507	56.2
55.50189	2.2
57.03412	18.1
65.03922	2.4
67.05494	61.3
69.03410	5.3
69.07057	15.6
71.04979	3.6
79.05479	65.6
81.03398	100.0
81.03870	3.4
81.07039	67.9
83.04950	19.9
83.08614	29.6
85.02899	4.4
85.06508	2.0
91.05463	62.5
93.07027	40.9
95.04952	45.1
95.08588	24.4
97.06507	8.4
97.10149	36.5
105.07015	43.3
107.04946	31.1
107.08578	33.8
109.06508	13.1
109.10118	19.1
111.04426	3.2
111.08072	5.1
115.05438	3.5
117.07004	19.4
118.21569	2.7
119.04938	3.4
119.08559	28.2
120.41266	2.0
121.06478	28.4
121.10133	14.3
123.08027	11.8
125.09599	24.6
128.06186	3.7
129.06975	24.1
131.04941	3.6
131.08536	28.1
133.06470	14.0
133.10074	17.4
135.08047	8.8
137.09581	2.7
141.06947	4.4
142.07816	4.3
143.08557	9.5
145.06465	12.3
145.10150	18.0
147.08051	11.6
147.11671	14.8
149.09590	5.5
149.13310	2.4
155.08560	5.5
157.06439	4.4
157.10109	12.8
159.08073	3.9
159.11731	3.4
161.09628	2.8
163.11142	5.4
165.05431	3.5
165.12646	2.8
167.08444	2.5
169.10052	3.9
171.08034	3.4
171.11627	10.6
173.09532	2.8
175.11191	9.7
181.10060	3.3
185.13165	2.7
189.11203	5.3
193.12231	27.2
195.11574	2.9
197.13171	3.0
199.11269	2.5
211.13242	2.4
227.12764	12.9
233.15277	9.5
267.15857	47.1
273.14731	5.6
341.21124	3.1
349.21588	4.5
367.22598	15.3
385.23694	24.3
399.66412	3.1
403.24719	5.6
415.24686	3.4
433.25769	17.0
459.27325	58.2
477.28400	49.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.284
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	9.0
55.01859	17.1
55.05503	59.5
57.03429	19.3
57.81870	1.6
61.99808	1.7
67.05145	2.5
67.05489	59.8
69.03403	9.1
69.07052	17.9
71.04971	8.2
71.24537	2.2
79.05470	62.9
81.02930	4.1
81.03394	100.0
81.06594	3.1
81.07035	55.1
83.04963	16.2
83.08598	38.1
85.06488	2.5
91.05455	46.2
93.07018	40.1
95.04944	46.3
95.08586	29.1
97.06509	7.0
97.10136	37.8
105.07013	41.1
107.04941	36.4
107.08560	31.7
109.06511	16.4
109.10114	21.6
111.08072	9.4
115.05431	3.3
117.06979	17.4
119.04952	4.4
119.08564	27.8
121.06479	33.9
121.10105	18.2
123.08048	10.4
123.11674	3.7
125.09583	26.7
127.17966	1.9
128.06172	3.4
129.06981	28.0
131.04877	9.1
131.08543	28.9
133.06499	13.4
133.10121	14.6
135.04414	3.0
135.07985	12.1
135.11668	3.1
137.09618	12.9
141.06960	9.4
142.07771	2.3
143.08553	15.3
145.06465	21.7
145.10089	16.9
147.04413	2.1
147.08023	10.8
147.11632	11.1
149.09621	13.6
153.09088	7.6
155.08502	8.1
157.06454	3.1
157.10066	14.7
159.08025	10.6
159.11642	10.5
161.09557	2.4
161.13142	2.2
163.11137	4.0
165.09065	49.3
167.08527	3.1
169.10103	7.4
171.08046	7.4
171.11655	13.2
173.09598	7.3
173.13237	2.1
175.11131	6.7
177.12573	2.2
181.10020	2.9
183.11737	3.5
185.13161	2.0
187.11182	8.1
187.14790	3.1
189.11140	6.9
189.12651	2.6
193.12192	27.2
195.11671	2.7
197.09689	2.8
199.11191	2.2
209.13136	3.1
211.11174	2.5
213.12627	2.8
215.14326	2.6
223.13190	2.2
227.12718	11.7
231.13916	2.4
233.15337	12.3
241.80403	2.5
243.13766	2.2
245.15253	2.3
249.14821	3.5
267.15820	59.8
273.14844	9.0
323.20114	2.7
339.23251	3.7
341.20941	17.3
349.21582	9.7
357.24576	5.1
367.22498	19.5
385.23608	34.6
403.24573	12.2
415.24637	10.0
433.25784	41.4
441.26202	4.4
459.27274	79.4
477.28403	39.9
492.17499	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	477.2841
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91365	0.9
53.03923	8.3
53.48903	1.1
54.11079	1.1
54.81206	1.1
55.01866	16.3
55.05228	2.2
55.05500	67.3
57.03428	22.7
57.07055	1.7
59.04983	2.2
60.59052	1.0
65.03925	2.8
67.05485	66.6
68.36391	1.2
69.03413	8.7
69.07049	19.1
71.04973	7.8
79.05469	76.4
80.03539	1.0
81.03391	100.0
81.07028	60.5
83.04971	16.6
83.08595	40.7
85.02892	7.3
85.06531	1.9
91.05452	65.9
91.05998	2.2
93.03384	1.4
93.07015	51.7
95.04940	53.8
95.08583	35.9
97.02927	1.6
97.06499	10.9
97.10146	36.0
99.08110	2.0
103.05453	2.7
105.07006	49.3
107.04934	36.1
107.05625	2.0
107.08569	35.3
107.09274	1.3
109.02888	1.7
109.06478	14.0
109.10126	22.0
111.04398	1.3
111.08049	8.4
115.05439	5.2
115.87583	1.2
117.06989	21.0
119.04910	5.1
119.08552	35.3
121.05604	1.9
121.06467	39.2
121.10117	15.4
123.04464	1.5
123.08052	10.7
123.11751	3.6
125.09581	24.6
128.06206	2.6
129.05490	1.3
129.06972	27.0
131.04903	7.3
131.08524	31.8
131.09442	1.9
133.06450	11.7
133.10110	15.2
135.04384	2.6
135.08035	14.2
135.11691	5.3
137.09602	13.8
141.06981	2.7
142.07762	5.2
143.08546	14.3
143.10622	1.2
145.06461	24.9
145.10083	17.5
147.04381	2.5
147.08009	13.1
147.11659	13.2
149.09578	13.4
149.13335	1.9
151.11159	1.5
153.06993	1.9
153.09077	6.7
155.08527	10.0
157.06477	5.3
157.10112	21.5
159.08006	8.0
159.11652	4.6
161.05991	1.4
161.09601	4.6
163.11133	5.0
165.09065	63.9
165.12695	1.7
167.08540	1.7
169.06381	1.4
169.10007	8.6
171.08051	5.2
171.11623	8.3
173.09572	5.7
173.13254	1.7
175.11104	10.9
179.08479	1.7
181.10123	1.7
183.08073	1.9
183.11641	2.7
185.09660	2.9
185.13315	2.7
187.11185	5.0
187.14816	4.7
189.09631	1.3
189.11194	9.7
189.12689	4.9
193.12175	25.0
195.11627	4.6
197.09605	2.4
197.13240	2.5
199.11162	2.3
201.12715	2.5
203.10481	1.2
203.14256	1.7
205.12219	2.2
205.15926	1.6
209.13371	1.7
211.11125	4.4
211.13278	8.3
213.12695	2.9
215.14326	2.2
217.12132	1.7
227.12624	9.9
231.13826	1.9
233.15260	10.1
238.69829	1.3
244.58990	1.3
249.14897	1.8
255.13791	2.3
257.15396	1.5
267.09125	1.8
267.15839	47.3
273.14795	10.3
285.10168	1.9
323.20111	2.3
339.23138	2.9
341.20990	11.3
349.21603	7.6
357.24234	5.9
367.22635	19.5
385.23587	31.9
403.24756	11.4
415.24704	5.6
433.25772	31.6
441.26346	5.9
459.27277	70.5
477.28384	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	477.2455
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01829	1.4
55.05485	2.9
65.41551	1.4
67.05478	9.4
69.07036	3.1
71.96871	1.4
76.87916	1.3
79.05047	1.3
79.05467	13.3
81.03388	2.0
81.07035	15.0
83.08581	2.9
91.05435	8.5
93.05258	1.6
93.07003	10.1
95.04939	3.7
95.08567	8.2
97.06469	2.5
97.10110	2.0
105.06976	8.2
107.04937	7.0
107.08569	9.8
109.10105	3.6
117.07004	2.2
119.08547	5.9
121.06463	2.6
121.10113	3.4
125.09555	2.1
131.08542	3.1
133.10123	3.1
143.08452	1.5
145.10081	2.3
147.04337	1.8
149.09531	1.8
161.51190	1.7
185.04085	2.5
207.83594	2.0
241.11212	1.4
278.36063	1.6
282.94937	1.8
315.19254	61.6
385.23447	2.2
459.27155	2.1
460.76425	1.7
477.24283	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	477.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	7.3
55.01872	13.3
55.05504	51.1
57.03431	23.7
65.03902	2.1
67.05489	54.1
69.03409	9.2
69.07051	18.8
69.17933	1.6
71.04974	3.3
75.06201	1.7
79.05473	63.5
81.03397	100.0
81.07040	67.0
83.04957	14.8
83.08598	32.2
85.02866	2.1
91.04950	3.0
91.05461	43.2
93.07032	44.2
95.04954	44.9
95.08578	34.9
97.02896	3.2
97.06492	7.7
97.10151	35.2
99.04388	1.7
102.72187	1.9
105.07014	45.1
107.04939	38.1
107.08576	27.7
109.06490	14.3
109.10152	18.8
111.08084	12.2
115.05418	3.7
116.39798	1.8
117.06992	20.7
119.04915	2.2
119.08556	27.3
121.06486	30.2
121.10084	14.8
123.08039	8.4
123.11656	4.1
125.09618	26.8
128.06163	2.5
129.06973	28.4
131.04904	7.9
131.08545	35.4
133.06456	10.9
133.10138	13.8
135.04376	2.2
135.08043	13.0
135.11670	6.8
136.13536	1.8
137.05966	3.1
137.09573	2.5
141.06984	7.2
143.08577	13.4
145.06458	18.6
145.10094	18.0
147.08011	14.5
147.11670	16.1
149.09608	12.0
149.13144	2.6
151.11165	2.1
153.09123	3.0
155.08548	3.7
157.06488	3.4
157.10121	19.9
159.08040	7.7
159.11647	6.7
161.09566	6.9
161.13266	3.2
163.11128	3.2
165.09058	13.0
167.08553	2.9
169.10100	10.1
171.08000	4.2
171.11627	11.7
173.09576	3.9
173.13216	7.3
175.11156	11.2
175.91133	1.8
177.12679	3.2
183.11685	3.4
185.09575	2.9
185.13161	4.0
187.11177	7.2
189.11197	11.1
189.12717	3.4
193.12177	24.4
195.11684	3.1
197.09692	2.8
197.13161	3.1
199.11192	2.7
201.12674	2.1
211.11278	2.7
227.12686	16.1
231.13728	2.5
233.15292	10.1
237.12775	2.6
243.39803	1.9
247.13020	2.3
255.13754	2.7
257.15448	2.3
267.15875	66.6
272.06662	3.6
273.15002	6.6
279.23239	2.2
300.06268	9.2
303.76840	2.1
315.08591	26.2
323.19992	8.2
326.47040	1.8
339.23358	2.3
341.21063	16.8
344.46771	1.7
349.21524	4.1
357.24326	6.9
367.22687	16.6
385.23657	31.0
385.96356	2.6
403.24850	17.2
415.24380	12.1
433.20181	3.4
433.25693	49.0
441.25916	3.8
449.28961	2.2
459.27368	79.9
477.28293	33.0
478.16946	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.4096
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10903	4.0
55.05499	8.1
67.05481	26.3
69.07055	33.7
71.04994	7.1
72.41815	5.1
79.05467	24.0
81.07043	69.2
83.08598	11.2
91.05483	8.0
93.07024	48.1
95.04957	7.2
95.08598	100.0
105.07009	45.0
105.18968	5.0
107.08585	78.4
107.54609	5.3
109.10135	48.5
119.08567	43.4
121.10120	61.0
123.08076	5.8
123.11682	11.8
131.08534	9.5
133.10068	35.0
135.08031	5.8
135.11662	43.5
136.08752	5.5
137.09621	7.3
137.13243	7.1
145.10091	11.2
147.11668	29.5
149.13243	20.6
159.11642	8.5
161.13252	11.5
163.14838	7.0
164.08299	10.7
165.09070	61.8
166.09409	7.4
167.10654	7.6
175.14792	22.2
177.16360	59.2
189.16380	10.6
191.18015	6.9
201.16270	6.2
203.17929	45.1
205.19334	7.1
233.18983	5.7
405.35107	11.3
423.36124	22.0
441.37225	58.4
476.34802	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	476.2978
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52323	0.4
53.03938	0.4
55.78855	0.4
57.07074	0.6
57.96323	0.3
65.03930	0.5
67.05502	0.5
69.07060	1.0
79.05476	18.7
81.07043	1.7
91.05460	38.0
93.07039	1.0
95.04955	2.4
95.08580	0.9
103.05444	10.4
105.04518	1.6
105.07017	100.0
106.07358	0.6
107.08575	6.9
109.06508	0.6
109.10163	0.8
116.89543	0.4
118.87752	0.4
119.08575	1.6
121.10105	0.8
133.06471	61.8
134.06776	0.6
135.08034	91.8
142.23184	0.4
145.10364	0.6
151.07530	20.3
167.05199	1.9
181.10077	1.7
198.12749	20.3
219.17317	1.8
279.17725	32.0
286.41025	0.5
467.99384	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.3734
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80715	1.7
53.03909	2.7
55.05514	16.7
57.07043	2.0
60.47805	2.1
60.75536	2.6
61.04608	2.1
64.24576	2.0
65.03956	3.5
65.77236	1.9
67.05493	31.8
69.07059	17.8
79.05482	32.9
81.07042	100.0
83.04986	4.6
83.08587	3.6
85.02862	2.7
91.05477	29.3
93.07030	68.1
95.04958	15.3
95.08585	54.6
101.73531	2.2
105.07009	49.4
107.08574	48.1
107.28371	2.1
109.06520	5.7
109.10161	25.6
113.05991	2.6
117.06960	3.4
119.08559	42.7
121.10124	49.0
123.11658	4.9
131.08534	16.1
133.10117	19.5
135.11688	11.3
142.07767	2.4
143.08539	9.4
144.09258	2.7
145.10101	23.8
147.11681	15.1
149.13271	14.3
157.10127	5.3
158.77980	2.3
159.11652	26.3
161.13245	12.9
163.14880	2.4
169.10136	2.3
171.11659	5.0
173.13263	4.9
187.14757	4.5
189.16357	3.0
194.11497	9.4
195.11745	4.2
197.13254	3.1
199.14836	3.2
201.16386	4.7
203.18109	2.9
250.06357	2.4
257.22635	4.6
338.96326	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.277
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.01859	0.7
55.05504	8.5
56.14351	0.4
56.95922	0.4
57.07067	0.5
62.06079	0.5
64.13567	0.4
67.05146	1.0
67.05492	20.2
69.03395	0.6
69.07052	6.0
73.03342	0.5
78.94390	0.5
79.05475	7.4
81.06595	0.8
81.07038	14.6
83.04958	0.6
83.08588	2.0
85.05258	3.7
85.06557	0.5
86.06046	0.8
91.05450	3.3
91.16888	0.4
92.08751	0.6
93.07022	7.7
95.04944	0.8
95.08588	11.9
98.06030	19.5
105.07007	3.1
107.08570	4.1
109.06477	0.7
109.10139	3.3
112.07571	2.1
119.08557	1.2
121.10114	2.2
123.11646	0.6
124.07523	0.6
133.10077	0.8
135.11629	0.7
137.13248	0.6
140.10602	0.7
145.10144	0.5
147.11649	1.2
158.00108	0.6
173.13254	0.7
196.16933	0.6
200.82153	0.6
208.16995	0.9
222.18571	0.6
255.20905	0.5
304.26285	100.0
305.26712	0.6
373.54080	0.5
390.86783	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2768
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25509	3.5
53.17231	3.6
55.05497	22.9
56.15236	3.1
62.06072	31.0
67.05486	66.2
69.07045	9.4
72.23354	4.1
79.05467	33.5
81.07026	60.6
83.04950	4.8
83.08606	9.3
91.05441	10.3
93.07019	45.8
95.08587	45.5
98.98434	18.9
99.92690	4.3
105.07018	21.1
107.08586	31.3
109.10144	16.8
119.08547	7.8
121.10104	17.1
125.09620	5.9
131.08521	5.1
133.10117	8.0
133.55194	4.9
135.11650	5.0
146.03220	4.8
169.64745	4.0
189.11295	4.6
304.26254	9.7
315.46219	4.1
335.25732	100.0
458.26434	7.5
464.60727	5.5
472.63779	5.6
476.27432	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	476.2771
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.7
53.03929	1.5
55.01863	0.6
55.05503	15.2
57.03427	15.7
57.07052	1.6
62.06058	0.3
65.03920	1.9
67.05492	54.7
69.03393	0.4
69.07053	14.9
69.09586	0.3
71.04955	1.3
78.95545	0.4
79.05473	29.9
81.07037	46.2
81.38710	0.4
83.04954	1.3
83.08607	3.9
85.06526	0.7
91.04882	0.4
91.05460	12.7
93.07023	31.6
95.04933	3.6
95.08583	34.7
97.06487	2.4
97.10139	1.8
98.98446	0.6
99.08060	0.4
99.48747	0.3
105.07010	5.6
107.04881	0.4
107.08578	13.4
109.06490	1.4
109.10143	10.7
111.08078	0.7
117.06993	2.1
119.08560	6.1
121.10119	10.4
123.08044	0.7
123.11705	2.3
124.01607	0.6
131.08530	4.0
133.10112	4.2
135.11665	6.0
145.10077	2.6
147.11674	1.4
149.13263	1.8
159.11642	1.3
161.13232	0.7
163.14729	0.3
173.13208	1.8
188.86642	0.3
265.97208	0.4
304.26300	2.7
310.84579	0.4
328.34192	0.3
335.25732	100.0
336.26071	0.6
381.02393	0.3
444.48950	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00299	0.4
55.05502	4.7
55.41262	0.4
57.07066	3.8
59.04988	0.8
63.20323	0.4
63.43077	0.4
67.05489	9.0
69.03416	0.7
69.07051	7.7
71.04958	0.9
77.03896	0.6
77.32286	0.4
79.05457	2.3
81.07044	9.3
83.04966	0.7
83.08591	2.1
85.02886	1.0
85.06525	0.6
86.54006	0.4
91.05454	6.9
93.07024	7.9
95.04942	0.7
95.08002	1.0
95.08587	23.2
105.07006	15.4
107.08575	7.4
109.06487	1.0
109.10139	32.3
117.07014	2.1
119.08554	62.1
121.10103	4.9
123.08040	1.1
123.11633	0.9
131.08533	2.3
133.10101	77.9
134.10789	0.7
135.11668	11.6
137.09586	9.4
145.10085	4.7
147.11665	17.9
149.02365	1.2
149.13263	4.6
151.14799	4.9
154.07857	0.5
159.11722	0.7
160.12453	3.2
173.13185	1.1
175.14784	100.0
175.61545	0.5
182.01080	0.5
193.14067	0.9
193.15837	27.8
312.78436	0.5
323.99319	0.6
373.94791	0.6
394.63263	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68399	0.4
53.03928	0.9
55.01853	2.7
55.05503	3.3
56.41541	0.4
57.03421	0.9
57.07056	0.5
61.02890	0.6
67.05497	1.7
69.03407	5.6
69.06714	0.5
69.07052	9.3
70.47288	0.4
71.04959	1.7
73.02893	0.9
79.05454	1.8
81.03393	5.0
81.07042	2.7
83.08595	2.3
85.02895	12.8
85.06541	0.5
87.00825	4.9
91.05457	2.6
91.71450	0.4
93.07007	2.3
95.08588	6.2
97.02895	4.8
99.04434	2.4
101.65294	0.4
105.01853	2.5
105.07021	9.2
107.08588	4.5
109.02882	4.3
109.10133	2.4
116.63812	0.4
117.07005	0.7
119.08562	41.3
121.10142	3.8
121.10868	0.4
127.03930	4.8
129.01784	0.4
131.08525	1.7
133.10109	39.8
135.11658	2.3
137.09604	0.6
145.04926	2.1
145.10097	2.8
147.11676	5.6
159.02878	3.0
160.12401	1.7
173.13222	1.8
175.14790	100.0
177.16287	0.9
193.15918	3.0
231.04913	0.6
325.89673	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	13.5
57.03426	1.7
61.02922	2.4
69.03409	11.6
70.41964	1.1
71.65120	1.0
71.72589	1.1
72.66810	1.1
73.02906	6.0
81.03401	2.9
85.02887	29.2
91.05456	1.6
95.01306	37.8
95.04939	2.6
97.02879	9.8
100.29007	1.3
105.07014	4.9
107.04947	2.2
109.02888	1.8
113.02353	2.2
115.05434	2.1
117.01823	1.7
117.07004	8.0
119.04913	13.8
121.02859	2.3
121.06493	2.3
123.04401	59.4
127.03935	2.1
131.04919	19.2
131.08458	2.1
133.06453	48.8
141.06981	2.9
145.06464	78.4
147.04382	73.8
147.08035	2.5
149.05948	10.4
155.05965	1.4
157.06442	16.4
159.04391	14.9
159.08022	9.8
161.05959	37.5
162.80991	1.2
163.03909	4.7
165.05409	18.4
169.06418	9.5
171.04367	14.8
171.08002	7.2
173.05940	100.0
175.03841	11.5
175.07379	4.5
175.77197	1.2
177.05424	5.7
181.06506	5.0
184.05185	1.5
185.04373	2.5
185.05911	25.2
187.07562	14.4
189.05434	14.5
191.07016	9.7
197.05940	36.6
199.07480	11.2
201.05438	30.9
202.43909	1.3
205.05011	1.3
207.06570	2.3
215.04941	1.4
215.05424	1.3
215.06999	53.2
219.06487	60.0
225.05463	2.1
231.06516	6.7
233.08022	20.8
237.07509	2.0
243.06470	33.0
249.07530	1.4
261.07526	46.7
279.08588	40.1
318.40744	1.4
503.94913	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.5
55.01862	0.8
56.05007	0.4
57.03424	11.2
57.56894	0.4
59.04972	2.0
69.03416	30.4
69.04533	2.0
70.06573	0.8
71.04968	0.9
71.50026	0.4
72.08134	0.7
73.02863	1.1
75.04467	2.3
75.58781	0.5
81.03394	0.7
82.49303	0.5
84.08117	0.5
85.02888	23.5
86.09705	2.3
87.04449	18.6
89.03884	0.8
91.05460	3.7
96.34962	0.6
97.02866	22.5
99.04406	0.7
115.00304	0.6
115.03906	19.9
119.04921	18.9
123.04401	3.7
127.03887	2.6
133.04944	15.4
133.06497	2.1
135.04398	0.9
143.04939	0.7
145.02832	2.5
145.06458	2.0
147.04384	100.0
148.04709	0.6
150.07616	1.1
159.08049	0.9
160.05083	0.6
161.05946	4.3
163.03870	9.1
165.05441	29.5
169.06439	1.0
171.04364	2.9
173.05957	2.2
177.05426	1.2
179.03400	3.8
180.03712	3.9
187.07516	0.8
189.05374	6.5
189.09180	1.1
191.07051	0.6
197.05962	2.4
201.05450	1.0
207.06544	4.2
207.10229	1.2
215.06960	3.8
243.06528	4.2
261.07523	2.6
279.08569	5.8
287.57513	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
53.70288	1.1
53.80616	0.8
55.01858	5.9
57.03417	4.1
61.02906	5.7
65.84805	1.1
69.03086	1.2
69.03408	11.3
73.02895	5.7
81.03381	4.6
81.55677	1.0
85.02881	37.3
86.15640	1.0
91.05475	1.6
95.01297	51.3
95.04957	2.7
97.02854	12.8
99.04416	1.3
105.07043	1.1
107.04929	2.4
109.02844	1.3
117.07011	4.9
119.04925	15.5
121.02840	2.8
121.06496	2.3
123.04397	55.2
125.48116	1.2
127.03896	4.6
128.06171	2.0
131.04889	13.4
131.08560	1.5
133.06456	21.5
141.06969	5.1
143.08505	2.0
145.05273	2.4
145.06448	67.1
145.07573	2.5
147.04370	62.6
147.08022	4.8
147.29865	1.1
149.05963	5.1
152.06133	1.2
155.06018	2.6
157.06448	13.9
159.04387	14.3
159.08015	9.7
161.05937	31.2
163.03868	7.6
165.05400	13.7
169.06416	10.0
171.04330	12.8
171.08051	7.4
173.05940	100.0
175.03877	12.2
175.07489	4.2
177.05449	6.3
181.06404	2.3
184.05144	4.5
185.05957	16.4
187.07475	16.7
189.05403	13.3
191.06992	7.7
197.05923	48.5
199.07487	13.8
201.05431	26.3
207.06459	1.3
213.05397	1.4
215.06981	55.6
219.06467	38.5
231.06400	8.3
233.07990	21.5
243.06458	39.2
258.77051	1.2
261.07498	40.7
279.08563	40.7
297.09631	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	476.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91222	1.5
52.95952	1.4
55.01852	11.0
55.05507	2.6
57.03419	4.1
58.60768	1.5
59.04912	1.6
61.02909	7.1
65.03927	1.9
68.89491	1.5
69.03412	11.6
71.01331	1.6
71.04977	2.3
73.02888	7.7
81.03397	3.2
85.02886	35.3
86.09705	2.9
89.03882	4.1
89.43382	1.7
91.05440	6.7
95.01309	9.6
95.04934	8.7
97.02837	14.8
99.04464	5.9
103.03928	2.9
103.05416	2.4
105.06992	4.2
107.04938	8.2
109.02882	2.1
113.02348	2.7
115.05408	3.3
117.03362	3.7
117.06973	4.3
119.04924	31.6
121.02871	8.9
121.06503	2.8
123.04395	79.9
130.15862	3.1
131.04886	14.1
131.08540	3.5
133.06467	40.1
135.04391	19.7
137.05949	2.4
137.70410	2.0
139.03961	2.3
141.06978	7.7
144.05649	2.2
145.02814	16.7
145.06442	59.9
147.04385	90.7
147.08067	3.2
149.05959	12.4
153.06935	2.1
157.06473	13.3
159.04385	4.1
159.08041	15.4
160.05151	2.8
161.05954	21.8
163.02493	4.1
163.03860	100.0
163.07538	2.1
165.05449	39.2
169.06404	10.9
171.04344	9.7
171.07921	2.0
173.05942	72.5
175.03882	13.1
175.07478	7.7
177.05452	10.0
185.05923	11.1
187.07503	16.0
187.91008	2.2
189.05403	13.0
189.09065	7.0
191.07005	9.8
197.05939	39.8
199.07497	10.6
201.05449	25.0
203.07024	2.6
207.06609	3.8
213.05670	2.4
215.06990	54.2
217.04875	2.6
219.06474	44.2
231.06450	3.0
233.07974	20.4
243.06427	26.4
249.07744	1.7
250.03734	2.0
261.07501	45.8
266.34073	1.7
279.08591	57.4
297.09818	3.2
405.13336	2.0
425.42242	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	15.0
60.75279	2.3
67.05495	22.1
69.06712	3.0
69.07061	42.4
70.78220	2.6
79.05474	16.1
81.07040	100.0
83.08612	6.0
91.05439	15.5
93.07027	42.9
95.08582	74.5
97.10144	7.0
105.07017	43.6
107.08574	45.8
109.10138	52.5
119.08584	39.0
121.10136	36.9
123.11680	24.9
131.08510	4.4
133.10109	24.1
135.11676	21.3
137.13229	5.5
143.08548	3.2
145.10089	18.1
147.11671	23.1
149.13193	12.3
157.10107	4.3
159.11691	26.3
161.13206	15.3
171.11644	13.9
173.13257	15.8
175.14688	5.1
177.16353	5.5
183.11777	3.4
187.14728	3.4
189.16370	4.8
194.22656	3.0
201.16487	5.1
203.18048	5.0
213.16368	5.4
255.21246	2.7
269.22562	3.6
323.27005	3.3
325.28598	3.2
331.95358	4.1
351.29575	3.6
372.62640	3.5
380.38269	2.9
475.42978	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.4296
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03950	1.7
55.05503	16.1
57.07051	5.9
60.11028	0.9
62.72449	1.2
67.05492	28.6
69.06712	1.8
69.07055	30.1
69.07413	2.1
73.99945	1.1
79.05476	23.8
81.07036	100.0
83.08614	9.4
91.05456	14.6
93.07026	41.9
95.04972	1.6
95.08584	69.9
95.09209	2.4
96.13406	1.0
97.10149	4.4
105.07012	36.7
105.07664	2.0
107.08578	51.7
109.10141	50.1
111.11678	1.8
117.07048	2.2
119.08556	42.8
121.10117	50.0
123.11690	17.3
131.08546	12.5
133.10103	25.9
135.11670	21.9
137.13228	7.5
143.08507	4.2
145.10110	20.5
147.11665	23.1
149.13240	22.6
151.14812	1.4
156.09335	1.2
157.10143	6.1
159.11667	24.6
161.13200	21.1
163.14792	12.4
169.10107	2.0
171.11623	8.8
173.13231	15.7
175.14767	12.5
177.16341	7.0
183.11674	1.3
185.13292	5.4
187.14729	9.7
189.16354	12.2
191.17883	4.2
197.13263	1.7
199.14835	5.1
201.16414	7.5
203.17868	8.3
213.16374	5.7
215.17935	6.4
217.19566	2.2
227.17967	2.0
228.77328	1.4
229.19580	4.2
231.21051	4.2
243.21037	4.6
255.20872	2.4
257.22668	5.3
271.24081	2.4
283.24197	2.1
381.35135	1.6
387.27991	1.1
391.33450	1.7
393.35388	2.4
475.42914	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	475.4295
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	2.1
55.05502	18.0
57.06813	1.0
57.07058	7.7
58.40305	0.9
61.94590	0.9
65.03891	0.9
67.05487	30.3
69.07054	37.9
79.05468	21.2
81.07034	100.0
83.08602	14.3
91.05443	15.6
92.09280	1.2
93.07020	50.5
95.08575	85.5
97.10139	5.0
105.07013	37.6
107.08570	58.4
109.09383	2.1
109.10134	59.2
111.11712	1.4
117.07014	5.7
119.08543	46.5
121.10112	48.8
123.11674	21.3
129.40019	1.1
131.08528	16.5
133.10098	29.6
135.11665	29.9
137.13249	6.5
143.08543	4.0
144.09393	1.1
145.10097	23.0
147.11668	27.8
149.13234	23.9
149.14320	1.3
151.14807	1.3
157.10136	8.7
159.11655	26.9
161.13219	25.4
163.14807	14.9
171.11601	7.3
173.13225	16.6
175.14755	16.1
177.16246	7.9
183.11688	1.7
185.13228	6.6
187.14758	14.5
189.16362	9.5
191.17903	1.4
197.13364	1.3
199.14787	6.9
201.16307	10.9
203.17902	12.3
211.14796	1.5
213.16335	5.7
215.17903	9.7
217.19479	5.5
225.16301	1.2
227.18010	2.5
229.19476	6.2
231.21065	7.2
239.17908	1.3
241.19354	1.9
243.21031	4.3
245.22639	1.3
255.21115	4.9
257.22559	4.3
269.22607	2.5
271.24142	4.7
281.22742	1.8
283.24286	2.0
285.25745	2.0
297.25671	2.2
299.27386	1.2
325.28769	2.6
334.10895	1.1
351.30530	2.0
365.32007	1.4
381.35052	1.4
419.36618	1.2
475.42880	75.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3931
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17719	2.4
53.02909	2.3
53.03925	2.7
55.05502	24.6
57.07061	3.1
61.07962	2.7
64.33130	2.8
65.03909	4.4
67.05485	32.4
67.97710	2.7
69.07057	30.4
71.04980	26.6
71.08614	3.0
74.64295	2.8
77.53690	3.3
79.05483	29.9
81.07031	100.0
82.60464	2.9
83.08614	5.1
85.85909	2.8
86.53309	3.1
91.05450	30.7
92.08708	3.3
93.07019	85.1
95.04937	12.4
95.08577	93.0
97.10139	4.0
105.07004	78.0
107.08576	75.1
107.09272	3.8
109.06487	5.4
109.10133	47.4
110.19981	2.8
111.08073	12.4
112.06651	3.0
117.07020	6.6
118.40122	3.4
119.08547	78.5
121.10126	51.1
123.11674	15.5
124.49458	3.2
131.08572	31.8
133.10095	35.2
135.11649	28.6
143.08545	13.0
145.10080	46.6
147.11644	38.7
149.13220	29.1
157.10081	36.2
159.11681	49.6
161.13251	28.9
163.14807	15.0
169.10069	6.5
171.11606	28.0
173.13142	27.4
175.14813	13.0
179.07004	5.4
183.11568	5.2
185.13190	15.7
187.14774	25.9
189.16371	12.3
197.13324	4.1
199.14705	11.4
201.16333	13.1
203.17920	5.6
211.14767	4.9
213.16389	17.2
215.17897	21.6
225.16397	4.7
227.17863	12.7
229.19463	5.6
241.19577	4.9
255.21014	6.2
257.22369	11.7
269.22647	4.6
283.24268	3.9
412.56659	3.4
449.75168	3.6
457.37924	4.6
475.33160	3.7
475.39227	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	475.393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	3.8
54.25672	3.4
54.57164	3.6
55.05500	29.9
57.07069	6.5
65.39594	4.2
67.05486	47.8
69.07050	20.1
70.15923	4.0
71.04987	13.7
79.05480	32.8
79.97032	3.7
81.07034	100.0
83.08587	10.0
91.05453	34.2
93.07009	93.7
95.04923	5.5
95.08579	92.8
97.10108	4.5
105.06997	68.6
107.08569	60.6
109.10128	62.5
111.08040	17.0
117.06969	8.8
119.08553	83.2
121.10104	51.5
123.08025	4.5
123.11649	23.4
129.06996	4.9
131.08571	33.2
133.10098	39.2
135.11659	19.6
143.08577	10.0
145.10124	38.7
147.11664	45.7
149.13205	18.4
157.10062	25.2
159.11659	51.8
161.13217	19.4
163.14771	8.7
171.11601	19.3
173.13246	30.3
175.14774	23.5
177.47346	4.0
185.13245	17.5
187.14757	16.6
189.16255	4.9
199.14789	7.2
201.16330	16.4
213.16296	17.0
215.17902	9.0
227.17905	17.0
241.19543	6.6
254.83882	4.9
255.21022	5.4
283.24368	7.5
385.72955	4.3
403.18216	4.4
475.39230	67.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3418
Annotation	CHEBI:69578
Peak:m/z	Relative Intensity
55.05507	33.5
57.07057	18.6
58.88904	3.4
67.05492	31.7
69.07053	64.5
71.08596	3.9
74.71658	3.1
79.05459	15.7
81.07039	91.2
83.08601	31.6
89.09911	4.5
91.05456	17.5
93.07018	26.5
95.08585	54.8
97.10147	7.6
102.57584	3.6
105.06998	19.9
107.08568	24.4
109.06494	19.5
109.10162	40.9
111.08052	4.3
111.11696	6.1
119.04946	4.2
119.08587	6.6
121.10101	17.4
123.08058	15.6
123.11692	9.1
124.28735	3.8
125.05972	31.6
133.06438	6.4
133.10135	5.0
135.08034	19.9
135.11702	5.4
137.05972	74.1
145.10095	8.4
149.09552	4.8
149.13232	5.2
151.07527	100.0
159.07945	5.4
161.05952	18.6
163.07565	4.3
165.09081	6.9
171.11516	6.6
173.09552	5.6
177.09027	19.0
179.07005	99.9
187.11087	6.1
188.19911	3.8
189.09019	7.4
191.10617	40.4
191.18547	4.3
193.08563	4.6
195.25928	4.1
197.09679	4.0
201.09091	34.0
203.10626	18.3
205.12119	8.9
219.10207	5.9
322.62827	4.0
349.86526	4.3
411.31836	5.0
429.33698	67.3
439.31897	21.7
457.33047	76.2
475.33453	7.7
476.88278	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	475.3415
Annotation	(5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol
Peak:m/z	Relative Intensity
52.31710	2.8
55.05502	24.6
57.07061	6.5
57.69135	2.8
59.74511	2.9
67.05489	34.2
68.09140	4.3
69.07059	31.4
79.05487	24.2
81.06603	4.9
81.07050	100.0
83.04980	4.2
83.08588	14.7
85.98780	3.6
91.05488	18.9
93.07030	29.2
95.04929	3.5
95.08578	72.1
96.24803	4.1
97.10161	5.3
99.04414	5.8
99.24349	3.8
104.79025	3.7
105.07012	22.2
107.08576	24.7
109.06508	14.3
109.10152	31.7
111.11671	4.2
116.99821	3.8
117.06994	5.6
119.08570	15.9
121.10146	18.5
123.08077	4.5
123.11702	18.8
127.03838	4.6
131.08588	6.5
133.06476	9.2
133.10120	5.8
135.08003	4.7
135.11734	5.7
135.83121	3.4
137.05933	53.4
137.13240	5.7
143.08556	9.0
144.09389	4.8
145.10130	7.0
147.08031	3.9
149.09637	6.4
151.07497	27.7
157.10130	5.7
159.11681	25.3
165.09076	3.8
171.08063	4.3
173.09610	14.8
175.11208	5.9
185.09644	7.0
187.11195	21.0
193.08525	6.0
205.12204	5.4
283.26083	4.7
397.31018	26.6
415.32031	8.6
439.31995	3.8
457.33292	23.5
475.33875	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
54.62674	3.8
55.05497	30.4
67.05485	41.4
67.34654	3.8
69.07062	32.5
69.66275	4.2
79.05465	22.7
81.07037	100.0
83.04970	7.6
83.08601	10.9
84.00210	4.0
85.15884	4.0
91.05463	16.9
93.07016	33.6
95.04916	5.8
95.08579	73.8
97.10175	5.3
105.07017	20.1
107.08578	24.3
109.06513	8.6
109.10146	37.6
119.08602	8.8
121.10110	24.2
123.09064	3.9
123.11667	10.6
131.08504	20.4
133.10095	7.7
137.05960	44.7
143.08484	7.0
145.10091	10.5
147.11729	15.0
149.09554	5.9
149.13214	6.8
151.07501	27.2
157.10065	7.5
159.11734	44.4
163.50093	4.5
171.08020	8.7
173.09642	20.0
175.11090	6.1
185.13165	4.8
187.11176	27.7
193.08585	8.5
201.12833	6.9
215.53012	4.8
242.05885	4.8
283.26276	6.7
373.96371	4.5
397.30933	18.6
407.81543	4.3
457.32971	26.7
475.33331	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	475.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12979	2.3
52.44525	2.5
53.03937	3.2
53.64675	1.9
55.01875	20.8
55.02101	3.0
55.05510	45.7
57.03426	12.9
57.07050	2.4
57.62634	2.4
67.05489	50.1
69.03407	4.0
69.07066	17.8
71.04963	4.5
79.05470	56.8
81.03403	29.3
81.06596	3.3
81.07037	52.8
83.04964	10.3
83.08594	24.0
83.91520	2.2
85.02859	3.6
87.21461	2.7
88.57723	2.6
91.05470	37.2
91.35347	2.5
93.07024	36.7
95.04954	30.7
95.08577	29.9
97.06516	5.3
97.10143	21.3
105.04502	2.2
105.07025	34.5
107.04935	32.3
107.08582	24.9
109.02863	4.1
109.06484	16.8
109.10125	16.8
111.08046	3.8
115.05440	4.6
117.06986	22.9
119.04984	2.8
119.08540	26.8
121.06464	20.8
121.10146	6.4
123.08060	10.0
125.02319	4.2
125.09593	26.3
129.06972	20.3
131.04881	5.3
131.08560	19.9
133.06499	5.0
133.10106	15.5
135.08047	15.0
135.11671	6.2
137.09607	4.6
141.07001	4.1
143.08527	11.7
145.06456	17.0
145.10104	18.1
147.04317	4.0
147.08026	13.5
147.11589	9.1
149.05916	3.1
149.09584	5.3
155.08568	5.6
157.06493	5.2
157.10117	4.6
159.08081	12.3
159.11569	3.5
160.05095	3.3
161.05969	35.2
161.09589	5.6
161.13211	3.9
163.11125	5.1
165.09062	23.5
169.10127	5.2
171.08035	3.4
173.05907	10.7
173.09602	5.2
175.07457	4.8
175.11153	6.3
183.08060	3.0
183.11606	3.4
185.13240	3.5
187.07578	4.2
187.11096	3.0
189.09100	3.3
189.11108	3.6
191.10614	4.2
193.12160	3.6
197.09552	3.9
199.07489	3.1
199.10896	3.4
205.12215	4.1
211.11133	4.0
220.22893	2.6
243.13731	10.8
265.92404	2.5
271.13150	3.3
273.14697	5.8
289.14328	17.7
303.15927	3.3
355.22543	6.0
365.20901	10.7
383.22055	49.6
401.22974	19.8
421.22687	2.7
431.24109	4.5
457.25717	54.9
475.26523	100.0
476.27222	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	475.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	4.1
54.65001	1.5
55.01857	4.1
55.05497	9.9
56.96545	8.2
57.03422	12.5
57.07047	2.5
59.04991	2.5
59.54100	1.6
61.02913	4.3
65.03913	2.6
67.05491	4.4
69.03417	35.6
69.07052	8.4
70.06571	10.0
71.04977	23.5
72.83487	1.9
73.02892	13.1
77.80142	1.7
79.05455	12.1
81.03397	24.9
81.07044	24.8
83.04958	4.7
83.08601	4.4
85.02885	68.2
85.06522	4.1
86.09689	7.3
87.00814	32.1
89.05999	9.2
91.05466	8.8
93.07005	18.0
95.04942	100.0
95.08583	17.3
97.02862	24.6
97.06494	35.5
98.97549	6.9
99.04422	27.1
99.08080	4.4
105.01850	16.6
105.07014	28.7
107.08576	26.4
109.02850	13.7
109.06489	58.3
109.10118	17.4
111.08078	4.7
113.09635	3.4
115.07558	4.7
115.96849	1.9
116.98603	7.9
117.06989	2.7
119.08604	19.4
120.08089	7.6
120.43012	2.1
121.10127	41.6
123.08041	12.5
123.11697	4.6
125.05975	8.9
127.03898	28.3
129.05412	3.4
131.08556	11.7
133.10101	56.4
134.99609	4.1
135.08014	12.0
135.11671	3.8
137.05965	4.4
145.04906	4.4
145.10103	8.1
147.04420	2.3
147.11665	37.8
149.13220	4.1
151.03891	36.8
151.04956	2.7
151.07542	3.4
151.11153	9.6
153.09082	35.2
158.10846	2.6
159.02866	3.1
160.38579	2.0
161.04820	4.5
163.14772	4.7
165.12737	4.3
171.10110	2.9
173.13210	27.9
178.98648	2.5
179.07048	8.6
191.14262	30.5
197.08060	22.2
207.05293	2.3
209.15331	67.0
225.06374	2.7
227.16386	62.4
231.05150	3.5
249.06406	4.1
369.64453	2.3
394.03979	2.3
475.15524	9.6
475.25412	40.5
484.06494	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	475.1233
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.5
55.05500	1.7
61.02896	0.8
61.50937	0.4
65.03918	3.6
67.05490	2.7
68.99777	0.9
69.03408	1.1
69.07045	1.1
79.05474	0.8
81.03384	0.6
81.07043	2.8
83.04942	0.8
85.02900	2.0
87.00829	0.7
91.05459	100.0
93.03373	3.0
93.07008	2.5
95.04953	0.6
95.08561	2.1
97.02869	0.5
98.98456	1.0
102.46053	0.4
103.05392	0.7
105.07021	5.1
107.04980	1.0
107.08575	3.0
109.10148	2.4
115.05444	0.7
119.04950	0.5
119.08578	1.0
121.06516	0.6
121.10075	0.7
125.09615	1.1
127.03847	0.5
129.01843	0.5
131.04945	0.5
131.08600	0.8
133.06462	0.8
133.10109	1.0
135.08049	0.5
137.09613	0.8
139.03873	1.0
145.10120	1.1
147.02731	0.6
147.04356	0.8
149.02380	0.8
151.03831	0.7
161.02391	0.8
165.09062	6.8
167.03375	3.3
173.13220	0.5
175.03923	1.0
178.86682	0.5
179.03337	1.0
191.03358	6.1
197.04427	1.1
199.03935	0.8
203.03357	2.0
205.04956	0.7
215.03389	0.7
217.05092	0.5
229.04875	0.6
233.04410	5.4
239.07118	1.0
245.04420	2.7
251.07014	1.0
257.04434	1.9
257.08096	2.7
281.07901	0.9
293.08099	5.5
311.08926	3.6
317.07999	0.7
321.87540	0.4
323.09097	0.8
335.09039	11.3
353.09940	5.1
384.53113	0.5
439.10092	3.1
457.11185	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	474.3789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52052	1.1
53.03930	1.4
55.05507	2.1
57.03431	6.1
57.07073	12.1
58.06593	40.4
59.07363	15.4
60.08158	9.2
67.05492	2.2
69.07064	3.1
71.04982	1.5
71.08611	5.5
71.11548	1.3
74.46561	1.1
75.04443	2.7
75.66590	1.3
77.67297	1.3
79.05480	7.1
81.07043	7.1
83.08617	1.7
85.02901	1.8
87.04457	2.8
91.05465	2.5
93.07033	8.5
95.08588	7.9
103.05486	1.3
105.07011	20.6
106.07352	7.2
107.08549	2.0
109.10155	6.3
113.05972	1.1
119.08585	7.3
121.10099	2.8
133.06485	7.6
133.10085	2.1
134.06853	5.2
134.24980	1.3
135.08052	7.6
135.11652	1.5
143.08551	1.5
144.10156	10.0
145.10170	2.3
146.19292	1.2
149.61176	1.4
150.31972	1.3
151.07532	2.2
157.10114	2.8
159.11682	2.0
171.82043	1.1
179.03720	1.3
198.39905	1.3
236.14891	100.0
245.04802	1.2
312.17221	5.8
313.27338	2.8
456.36758	19.6
474.37918	75.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.01863	3.1
55.05496	11.2
57.03411	3.4
61.02907	2.1
66.37189	1.7
67.05484	9.9
68.99759	2.5
69.03419	15.3
69.07056	30.5
71.04961	2.8
73.02886	2.7
78.28090	1.7
79.05449	4.1
79.42969	1.8
81.03389	12.1
81.07039	15.0
83.04957	1.8
83.08614	3.5
85.02890	35.6
85.06522	3.5
86.05730	1.5
87.00809	17.0
91.05434	12.8
93.07016	14.0
95.04939	4.1
95.08578	12.9
95.75269	1.9
97.02853	15.7
97.06481	2.8
99.04421	3.7
101.46088	1.9
103.03937	1.8
103.31279	1.6
105.01843	8.9
105.07015	45.3
107.08574	15.2
109.02840	9.1
109.06493	4.4
109.10135	8.0
117.07024	5.7
119.08547	47.9
121.10150	16.8
123.08031	2.8
125.05975	3.5
127.03899	17.4
129.06985	2.8
129.12730	2.0
131.08545	42.7
133.10118	33.4
135.08012	2.4
135.11536	2.1
141.15820	1.8
143.08533	3.3
145.04903	3.9
145.10175	13.7
147.11653	44.1
149.02316	23.8
155.08554	2.1
157.10136	3.7
158.10884	2.7
159.02919	7.3
159.11705	2.3
161.13078	2.2
165.09062	3.8
173.13222	40.5
173.14571	3.2
175.14792	100.0
178.93040	1.8
191.14310	16.9
212.02626	1.9
231.04865	2.3
475.26926	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	474.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	11.2
55.53252	0.8
57.07069	1.4
59.05010	1.4
61.82493	0.9
67.05502	5.5
69.03404	2.0
69.07056	60.9
71.04965	1.3
76.56332	0.9
79.05477	1.8
81.03405	0.8
81.07048	13.0
85.02882	3.2
91.05467	4.8
91.68325	0.8
92.05792	1.0
93.07034	7.9
95.08589	8.6
97.02879	1.8
97.06483	1.4
105.07018	8.2
107.08584	11.4
107.77571	0.8
109.06512	3.7
109.10151	4.1
111.11703	14.7
117.07029	1.2
117.57796	0.7
119.04930	5.8
119.08575	4.8
120.05253	1.4
121.02858	1.5
121.10097	7.1
125.06078	0.8
129.12741	13.6
131.08551	5.6
133.10103	3.7
135.08000	1.0
135.11671	3.1
137.09604	0.9
145.10121	1.2
147.04399	16.1
147.11708	1.6
148.04697	10.1
149.02324	100.0
159.11639	0.9
163.14793	23.4
165.09096	2.1
167.03380	14.1
173.13281	1.3
191.14229	10.7
210.00630	0.8
277.14401	1.6
424.16937	1.0
458.71127	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.233
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28519	0.4
53.03928	3.1
55.01851	3.6
55.05494	3.4
57.03413	3.0
57.07054	2.5
58.85474	0.5
61.02890	1.2
67.05476	4.0
69.03413	78.4
69.07057	6.1
70.06561	0.7
71.04965	3.2
73.02888	2.8
79.05465	3.6
79.15121	0.6
81.03394	8.9
81.07034	7.0
83.04975	4.3
83.08594	1.1
85.02884	23.6
85.06536	4.4
87.00811	11.2
91.03907	1.0
91.05449	3.6
93.07030	8.1
95.04929	0.8
95.08580	13.5
97.02862	9.8
97.06497	6.6
99.04447	5.6
99.08064	0.9
105.01849	6.5
105.07007	6.0
107.04902	0.8
107.08575	21.6
109.02857	6.8
109.06516	8.2
109.10127	3.6
111.08059	3.5
117.01813	0.8
119.08551	6.1
121.06514	3.8
121.10123	15.1
123.04394	0.7
123.08031	4.5
123.11694	7.2
125.09602	29.4
126.06357	0.6
127.03889	11.0
129.06993	0.6
131.08540	10.3
133.10091	8.1
135.08018	15.8
135.11671	7.6
137.09543	0.9
139.03857	1.2
143.08504	1.0
145.04979	3.8
145.10124	5.2
147.11676	5.5
149.09590	10.5
149.13211	5.2
150.10318	1.1
151.11157	0.9
153.09106	8.4
158.10904	5.0
159.02832	3.7
161.09473	1.1
163.11128	3.9
163.14758	5.5
165.09029	0.9
165.12682	4.2
173.13222	29.7
176.12004	0.7
181.75366	0.5
188.25990	0.5
189.06648	0.7
191.14268	88.0
209.15323	100.0
210.15681	0.6
231.04845	0.7
259.09607	0.6
259.16855	0.7
283.14819	0.5
295.15665	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	474.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.30551	0.2
65.26875	0.2
65.64460	0.3
69.03378	0.3
69.07028	0.5
70.06541	0.4
77.34782	0.3
79.05441	0.2
83.06026	0.6
85.02824	1.3
95.06004	1.2
96.04441	0.3
97.02809	0.6
98.97524	0.4
104.04948	0.5
105.03342	0.6
105.05713	0.5
105.07005	6.1
106.06508	0.6
106.07235	0.5
111.05546	5.2
115.07490	1.1
120.04436	3.1
122.09583	1.4
123.05470	0.6
125.05807	0.6
126.06593	2.7
128.98558	0.4
132.04422	38.1
133.05103	0.4
133.08566	0.3
134.05090	0.3
134.05989	7.3
137.04686	3.0
146.02362	0.4
151.06123	15.5
158.05928	0.5
161.05910	0.4
165.07663	0.4
166.07181	0.4
177.03963	0.5
189.05409	0.4
194.06689	8.9
195.07433	0.5
202.09767	2.6
206.06693	0.3
214.09695	0.5
216.11214	1.3
219.01659	0.3
227.09180	0.6
230.09219	2.3
232.10722	1.1
237.02655	0.4
242.09155	8.8
255.08856	0.5
257.10251	7.4
258.08582	1.3
259.11826	13.2
274.12851	0.3
275.83679	0.3
284.11328	6.2
302.12402	23.2
327.11761	3.1
345.12976	100.0
346.13269	1.8
452.36865	0.3
456.16382	1.1
474.17224	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	474.1605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	1.0
56.81968	0.5
56.96537	0.6
57.03417	0.7
61.02918	1.0
61.71846	0.4
68.41404	0.5
68.89783	0.5
69.03413	4.8
69.07047	0.6
70.06572	0.9
71.04983	0.8
72.08132	0.9
73.02892	0.6
73.06520	0.6
74.88396	0.5
75.49001	0.5
81.03388	2.8
84.08096	0.7
85.02884	11.6
86.09669	0.8
91.03860	0.5
91.05458	1.0
97.02852	4.8
97.06470	0.6
98.97561	0.9
100.73842	0.5
109.02849	2.7
110.05977	0.6
113.05991	0.7
115.05458	5.3
115.07514	0.9
116.98557	0.8
117.06970	0.9
119.04901	0.7
120.85262	0.5
121.06477	10.4
123.04488	0.7
127.03876	2.7
128.98665	0.6
129.05441	0.6
129.06970	0.8
131.04837	0.9
133.06458	2.2
138.09085	3.4
141.06961	0.6
143.04889	22.3
145.05400	0.8
145.06459	8.9
147.04376	15.8
148.05051	0.6
149.05949	1.0
150.05472	2.6
151.58121	0.5
157.06436	0.9
159.04417	2.5
161.05940	47.1
163.03873	6.3
163.07460	0.8
165.05424	2.2
168.64168	0.5
169.06404	0.7
171.04366	8.4
173.05936	12.2
175.03825	7.0
175.07518	0.7
177.05428	3.7
185.06017	0.9
187.03854	2.3
187.07393	0.9
189.05432	95.2
191.07021	3.0
193.04929	2.0
201.05415	10.9
203.07051	1.1
205.05020	1.1
207.06467	3.4
213.05463	5.0
217.04959	5.6
219.06516	4.6
223.59634	0.5
229.04951	0.9
231.06485	3.9
233.04480	1.1
235.05959	100.0
237.02660	0.8
247.05978	11.1
248.90099	0.6
249.07558	0.8
250.08652	0.6
259.05960	2.5
277.06992	6.3
295.08096	2.9
341.11340	1.2
345.12988	1.3
397.11011	2.1
446.04779	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.4137
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81863	3.2
55.05499	17.1
57.07060	2.1
62.87529	2.0
67.05495	32.1
69.07050	39.3
69.67464	2.5
79.05482	20.4
80.55489	2.7
81.07039	100.0
83.08592	12.9
91.05468	23.9
91.73446	2.5
92.08596	5.2
93.07028	63.1
95.04967	3.6
95.08582	80.9
104.29829	2.8
105.07022	52.7
107.08575	65.2
109.10149	44.6
117.06998	5.3
119.08559	53.8
121.10133	45.5
123.11697	15.7
131.08534	22.2
133.10095	33.4
133.56609	2.2
134.77583	2.7
135.02615	2.5
135.11665	24.8
142.07770	3.6
143.08549	13.5
145.10100	34.6
147.11684	25.3
149.13260	18.7
157.10115	14.8
159.11687	41.6
161.13226	22.9
163.14764	14.0
169.10075	5.4
171.11737	19.2
173.13235	27.0
175.14832	10.9
177.16417	3.5
183.11679	5.3
185.13272	12.2
187.14825	13.7
189.16307	5.0
195.11607	3.8
197.13181	6.5
199.14830	10.3
201.16389	15.7
203.18013	2.9
209.13193	4.0
211.14803	5.1
213.16365	13.8
215.17920	5.5
217.19450	3.1
223.14777	2.9
225.16263	3.6
227.17931	4.5
229.19489	4.6
239.17931	2.9
255.20964	3.9
269.22672	10.6
270.29257	2.9
283.24432	2.8
295.24188	3.6
384.98862	3.2
473.35043	4.7
473.41360	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	473.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31998	5.1
55.05490	29.7
57.85632	4.5
67.05489	32.8
69.07065	39.1
79.05460	24.5
81.07038	100.0
82.74172	5.0
91.05463	12.9
93.07008	57.2
95.08581	74.2
105.06991	59.5
107.08556	61.9
109.10130	52.8
117.06965	8.8
119.08563	63.5
121.10132	49.8
123.11699	21.9
131.08527	10.3
133.10106	43.3
135.11688	29.7
137.13193	5.4
145.10086	45.0
147.11678	23.8
149.13248	12.7
157.10083	25.2
159.11632	26.8
161.13205	11.5
163.14746	6.8
171.11700	10.8
173.13243	23.7
175.14714	21.8
183.11671	6.5
185.13251	12.5
187.14842	10.2
189.16306	6.0
189.93756	5.5
201.16415	12.5
211.99385	6.7
212.71335	4.8
215.18008	7.3
349.20959	5.4
362.72256	6.3
473.41412	51.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.4138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	25.0
63.46300	3.4
67.05497	43.8
69.07049	38.4
79.05458	22.7
81.07040	100.0
83.08627	8.3
85.00174	3.8
91.05456	23.0
93.07029	66.2
95.08587	81.9
97.10134	3.6
99.14512	4.1
105.07018	74.9
107.08580	61.6
109.10141	63.2
117.07003	6.8
119.08541	61.9
121.10125	70.1
123.11681	17.4
131.08540	20.4
133.10097	41.3
135.11671	22.6
143.08563	14.3
145.10117	38.5
147.11674	37.5
149.13261	20.9
157.10075	29.1
159.11685	39.9
161.13240	24.2
163.14807	6.5
169.10132	5.1
171.11682	16.8
173.13239	24.3
175.14775	8.9
183.11612	5.9
185.13271	14.0
187.14827	19.0
195.11679	4.1
196.56714	4.1
197.13254	5.8
199.14738	7.0
201.16322	14.2
203.17824	5.6
203.60780	3.8
211.14894	8.1
213.16325	7.2
215.17920	5.6
229.19510	5.3
241.19427	5.4
403.33859	4.5
417.34967	6.8
451.81671	4.1
462.78284	4.2
473.34052	20.0
473.41345	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	473.2127
Annotation	Unknow
Peak:m/z	Relative Intensity
50.05308	0.2
54.52148	0.3
59.91377	0.3
63.59055	0.3
74.02429	0.5
82.28604	0.4
103.05468	0.4
106.06538	1.8
115.05431	1.4
117.05749	1.3
130.06456	2.2
131.04910	0.6
132.04431	0.5
132.08078	3.0
133.06665	0.3
134.05992	28.9
142.06487	0.4
146.05991	2.3
148.07553	3.6
157.07608	1.4
158.05992	8.5
159.06793	3.0
160.03929	0.7
160.07552	18.7
162.05470	79.3
175.08620	6.8
176.02077	0.4
176.06906	0.4
182.19556	0.3
186.05457	9.0
203.08144	1.2
204.06526	100.0
205.06828	0.6
221.09178	26.6
233.82848	0.3
317.87531	0.4
332.80356	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.7
53.03934	2.5
55.01875	0.8
55.05503	25.5
55.05759	1.3
57.03427	2.5
57.07064	15.3
67.05138	1.3
67.05488	32.1
67.05851	1.0
69.03411	5.3
69.07051	58.3
71.04964	1.5
71.08616	5.8
73.02937	0.6
79.05468	10.6
81.03407	1.3
81.07035	100.0
83.04969	1.3
83.08597	25.1
85.02884	13.4
85.06530	10.6
85.10171	2.3
91.05457	3.9
93.07023	18.0
95.04948	2.4
95.08579	96.5
97.02871	2.6
97.06513	1.4
97.10137	17.3
99.04415	1.1
99.08070	5.9
105.07011	6.1
107.04946	3.0
107.08571	15.8
109.02847	0.6
109.06484	1.5
109.10134	50.2
111.08067	2.7
111.11702	10.6
113.09578	0.8
119.08536	5.2
121.10108	10.2
123.04420	0.6
123.08045	0.8
123.11673	22.9
125.05965	11.5
125.13174	4.6
127.03889	1.5
129.12714	0.9
131.08498	0.8
133.10081	3.2
135.08032	0.9
135.11681	7.8
137.09543	0.7
137.13222	9.2
139.14774	0.6
142.32625	0.6
143.14244	1.1
145.10115	2.6
147.07999	0.8
147.11690	2.2
149.13225	8.9
151.14803	6.4
157.10016	0.9
159.11670	0.7
161.09581	0.9
161.13211	0.9
163.11015	0.7
163.14775	4.1
165.09105	3.9
165.16348	4.4
177.16383	3.0
179.17860	1.1
191.18018	1.0
199.20569	0.7
205.19530	1.5
219.21030	1.4
275.27274	3.4
281.28333	5.3
293.28265	8.2
311.29251	7.0
334.33890	0.7
362.13956	0.6
389.30551	0.8
401.30334	2.5
419.31464	2.6
473.23755	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	473.1286
Annotation	Aesculetin-6-O-beta-D-apiofuranosyl-(1->6)-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
52.90181	0.2
53.03930	0.3
57.03413	0.9
59.04978	0.3
68.99770	0.5
69.03130	0.2
69.03418	3.6
70.06580	0.3
83.04915	0.2
85.02891	2.2
87.04448	1.4
92.09305	0.3
97.02865	2.0
105.07028	0.3
109.02876	0.4
111.04403	0.3
113.59860	0.2
115.03901	0.5
116.98635	0.2
127.03902	0.9
133.04959	0.4
135.04381	0.2
147.04497	0.2
153.01796	3.7
154.02133	1.4
155.03319	0.3
157.30832	0.3
167.06987	0.4
171.02740	0.3
179.03352	100.0
199.63811	0.2
237.00586	0.3
265.00186	0.3
315.07266	0.2
333.12897	0.5
341.08618	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	472.2384
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41875	0.1
55.05491	0.2
57.03434	0.2
69.03410	0.2
69.07056	0.2
71.04981	0.9
74.40305	0.2
81.03396	0.1
85.02885	1.9
86.09687	100.0
87.10030	0.2
96.12066	0.2
97.02863	0.3
100.51714	0.2
111.04417	0.2
112.24857	0.2
129.05455	0.7
132.10178	44.2
241.32385	0.2
399.94217	0.2
436.05896	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	0.5
53.03911	0.5
55.01869	3.8
55.05502	13.1
57.03402	2.6
57.07038	2.5
58.60256	0.4
60.59538	0.4
61.02886	0.5
63.32490	0.4
67.02677	0.4
67.05490	24.6
69.03387	2.2
69.07052	22.4
71.04945	2.7
73.06532	0.5
79.05474	16.4
81.03395	1.0
81.07035	30.8
81.81293	0.4
83.04968	8.4
83.08600	4.9
83.26749	0.5
85.02882	3.2
85.06500	2.0
91.05457	17.3
93.07018	29.1
95.04951	8.0
95.08018	0.9
95.08583	20.4
97.02865	0.9
97.06499	4.1
97.10123	1.9
105.07013	24.6
107.04937	8.0
107.07877	0.7
107.08569	16.9
107.88692	0.4
109.05815	0.7
109.06503	13.0
109.10136	11.1
111.08057	1.1
117.07003	7.2
119.08557	16.3
121.05696	0.8
121.06464	11.5
121.10114	9.3
123.08046	4.8
123.11681	4.2
125.08629	0.6
125.09619	0.8
129.06964	2.4
131.07632	0.9
131.08543	16.2
133.06432	2.8
133.10104	20.4
135.08012	5.4
135.11650	8.3
137.09566	2.5
137.13289	0.5
139.07573	0.5
141.06923	0.9
142.07741	0.5
143.08516	3.0
145.06418	1.0
145.10097	12.0
147.08005	2.7
147.11656	13.7
148.00681	0.5
149.09605	6.6
149.13216	3.8
151.11159	6.6
155.08514	1.1
157.10085	2.3
159.07976	2.3
159.11652	8.4
161.09573	3.1
161.13197	3.7
163.11137	5.9
163.14771	0.6
169.10066	1.2
171.11671	2.9
173.09573	2.7
173.13202	5.0
175.11113	2.8
175.14699	0.6
177.12706	2.6
182.05228	0.5
183.11603	2.9
185.13190	0.5
187.11163	1.7
187.14766	0.9
189.12711	1.8
191.14282	4.0
197.13194	2.3
199.14771	0.6
201.12727	3.4
201.16263	0.7
207.13739	3.0
213.16306	1.1
215.14302	0.8
215.17931	2.1
219.13745	4.2
229.19456	2.9
231.17383	0.8
233.15454	1.4
233.18872	0.8
237.14893	0.8
239.17979	3.8
247.20598	3.3
257.18958	12.6
275.19998	91.9
293.21048	100.0
294.21429	0.8
372.05301	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	0.4
57.03419	0.2
59.04969	0.2
67.05507	0.2
69.03414	0.4
73.02879	0.2
73.64707	0.1
79.05476	0.6
81.07034	0.9
81.37689	0.2
83.04956	0.2
83.08588	1.0
84.08143	0.2
85.02883	3.5
85.06517	3.8
85.61085	0.1
91.05428	0.3
93.07011	1.0
95.04942	0.4
97.02868	0.3
103.03918	10.5
103.05427	4.2
107.04910	1.6
109.06487	0.4
113.05986	1.1
120.08076	100.0
121.08405	1.2
127.03867	0.4
127.07537	3.1
131.04889	3.1
131.07024	1.1
136.59256	0.2
145.04933	0.3
145.08565	10.3
149.05965	1.8
151.03915	0.3
163.03793	0.3
166.08594	24.4
192.18336	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	472.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.2
53.00292	0.3
53.03930	1.5
53.04155	0.2
55.01862	0.5
55.05487	0.3
57.03423	0.5
60.61514	0.2
61.02904	0.4
67.05515	0.3
69.03413	4.1
69.07047	1.0
70.06571	1.0
71.04953	0.7
73.02891	0.4
79.01833	2.4
79.05428	0.3
81.03399	10.4
81.07041	1.0
83.54691	0.2
85.02422	0.3
85.02893	4.6
91.05431	0.5
92.09256	0.5
93.06993	0.3
95.04939	1.0
95.08617	0.4
97.02869	7.1
99.04433	1.6
105.07007	0.4
106.04161	0.3
107.01285	1.3
107.04932	2.2
107.08543	0.3
108.05279	0.4
109.02868	6.6
109.10113	0.3
113.09612	1.0
119.04900	0.3
121.06438	0.6
121.10081	0.3
123.04392	0.9
125.02337	5.0
125.05975	0.5
127.03896	7.3
134.91817	0.3
137.05943	3.8
138.06328	0.6
141.05411	0.4
143.03378	7.4
145.04970	1.0
147.04356	0.5
149.05972	1.0
153.01810	100.0
153.02820	3.7
167.06969	2.1
171.02863	9.6
177.05469	0.4
179.03381	0.5
209.08160	0.4
211.11098	0.3
231.06461	1.0
237.03966	0.3
239.10701	0.4
256.19809	0.4
261.10190	0.3
273.12415	0.4
274.12515	0.3
291.13278	0.4
297.06003	6.7
315.07040	6.2
318.10785	0.5
332.12390	0.4
333.13324	0.9
437.17761	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.1899
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	12.9
59.19487	0.8
67.05497	1.5
69.07046	2.0
71.04948	0.9
81.07033	1.7
84.96010	6.0
85.02885	6.3
91.05434	1.3
93.07030	1.5
95.08588	1.3
97.96775	2.1
98.97557	27.8
106.18232	0.9
109.10098	1.1
110.97560	9.7
112.99146	1.6
115.97828	2.3
116.98603	20.2
119.04852	1.4
119.08578	1.1
128.98572	17.5
131.00136	2.1
134.99615	6.2
143.00127	1.5
146.99643	18.0
147.04396	5.5
149.01157	1.7
158.99551	1.9
161.01164	4.9
162.99074	1.8
163.03845	1.6
165.00700	1.4
170.99672	2.0
177.00659	5.1
184.00587	1.3
189.00688	4.8
197.04820	1.8
211.06410	1.1
212.03552	3.6
213.07935	6.9
215.05977	1.5
219.01688	20.6
225.04143	1.2
225.07808	1.3
230.04535	2.3
231.09076	7.4
237.02744	51.2
238.05008	2.4
243.08931	1.1
253.07504	1.7
255.03763	4.7
259.12128	2.4
265.11066	6.3
267.12601	10.1
269.10419	1.2
269.88309	0.9
271.08447	2.3
281.10367	1.7
281.73343	1.1
283.12100	8.0
285.13660	38.5
291.12637	1.5
294.11322	1.8
295.12112	1.9
303.14801	2.3
309.13614	14.3
313.12988	5.0
321.13571	1.1
323.15604	1.1
325.03308	1.3
327.14670	6.2
339.14624	1.0
351.14871	1.2
411.16794	100.0
429.17804	5.6
471.08710	5.0
471.18961	11.2
471.24823	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	471.1555
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88083	0.6
56.96547	2.7
57.03429	0.9
69.03412	1.2
71.04981	0.9
81.03392	3.0
85.02887	1.3
86.06022	0.8
98.97545	3.1
99.04426	1.4
101.00847	6.7
109.02834	5.7
115.02369	1.2
116.98589	1.3
119.01898	32.3
127.02461	0.9
131.01884	4.1
133.03430	8.0
137.02934	10.0
139.02393	1.1
141.00423	0.7
141.03926	0.7
143.01883	7.7
145.03456	7.7
151.04521	1.3
152.01511	1.2
155.01932	1.3
157.03432	25.1
159.01364	3.6
159.04996	2.9
160.02176	2.9
161.02925	30.6
163.04587	2.2
167.01888	2.9
169.03383	1.0
171.04958	1.3
173.02966	1.2
175.04489	29.1
178.03209	0.8
179.04015	1.1
183.05045	3.0
185.02928	12.7
187.04495	5.1
189.06030	2.9
193.05634	0.8
199.04527	4.4
201.06042	5.7
202.03426	0.8
203.03976	14.2
209.02766	0.7
215.03984	1.0
217.05507	6.2
221.04951	1.0
227.00594	0.7
227.04028	1.4
235.06584	2.8
245.04997	5.0
259.06595	5.1
263.06094	1.3
271.42877	0.6
277.07617	41.7
295.08676	100.0
296.08893	1.2
307.08755	1.1
318.10236	1.3
321.10165	1.4
337.09921	6.8
429.14301	2.7
471.10101	1.2
471.15860	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	471.0892
Annotation	Tjipanazole A1
Peak:m/z	Relative Intensity
55.05489	0.5
71.92464	0.5
81.07042	0.8
82.71891	0.6
85.02911	0.7
95.08581	0.7
117.35226	0.6
117.60690	0.5
174.85416	0.6
182.97298	0.6
185.04181	4.7
212.31070	0.7
308.02838	11.0
309.03680	9.0
316.34781	0.7
335.20667	0.6
471.08917	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50098	0.1
51.61397	0.1
53.03939	0.3
56.96551	0.1
64.97297	0.1
78.33031	0.1
81.03413	0.2
85.02882	0.7
91.05454	2.4
93.07023	4.7
95.04955	1.0
97.02869	0.2
103.05451	3.5
105.04481	0.2
107.04968	0.2
108.41950	0.1
111.04382	0.2
116.98606	0.1
121.06483	100.0
122.06813	0.8
123.04417	0.8
127.03883	0.2
135.04390	0.1
137.05928	0.2
138.09120	29.4
139.03874	0.6
139.09511	0.2
139.16304	0.1
146.05975	0.9
147.04376	0.2
147.06360	0.3
147.72336	0.1
162.85895	0.1
244.82643	0.2
370.93539	0.1
437.10959	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	470.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01845	0.8
55.05488	0.3
57.03418	1.3
59.53285	0.3
61.02883	0.7
67.05490	0.7
69.03406	2.9
71.04979	2.3
73.02889	0.3
75.02866	0.3
79.05473	3.6
79.31927	0.4
81.03391	1.8
81.07039	2.7
83.04946	0.6
85.02882	6.9
87.46106	0.3
91.05456	1.7
92.08694	0.6
93.07021	2.0
95.04942	2.1
95.08575	1.3
97.02857	1.7
97.06493	0.5
99.04408	0.4
104.07076	0.4
105.06976	0.4
107.04929	58.0
107.08550	0.5
109.02837	0.5
109.10126	1.4
111.08067	0.7
117.62028	0.3
119.26659	0.3
121.06477	1.9
121.10117	0.6
122.03536	0.5
123.04421	4.0
123.11650	0.5
125.05963	3.9
127.03882	2.4
131.04884	1.4
131.08546	0.4
135.04349	1.4
135.05499	1.8
137.05943	100.0
139.03894	0.6
145.04948	0.5
147.04384	0.4
149.05972	2.8
151.03967	0.5
151.07553	0.5
151.11189	0.4
157.12212	0.4
161.05957	0.6
163.03903	1.3
167.07002	1.5
169.12177	2.1
177.05405	0.7
179.06952	0.5
181.06436	0.4
187.13220	0.7
195.08086	0.3
197.05957	0.6
197.90744	0.3
198.06577	0.4
201.09094	0.8
205.76666	0.4
214.06284	0.7
218.26056	0.3
227.06963	2.1
227.10670	0.3
229.08571	3.2
240.07753	1.6
249.47632	0.3
255.10143	4.0
273.07773	0.5
273.11093	10.9
312.31921	0.4
370.88470	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	470.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01858	2.2
55.05491	1.5
57.03428	3.5
57.14710	0.3
59.04978	0.4
61.02892	0.7
67.05486	4.3
68.99773	0.5
69.03418	2.9
69.07044	2.0
70.06597	0.7
71.04975	12.0
72.05311	2.5
73.02886	0.5
74.09682	0.5
74.40266	0.4
79.05482	4.1
81.03391	1.6
81.07040	5.4
83.04964	0.8
83.08569	0.5
84.53265	0.4
85.02891	15.0
85.06515	2.9
86.03218	2.2
86.09693	0.4
86.99771	0.4
87.04456	0.6
91.05470	4.4
93.07024	8.5
95.04939	3.9
95.08588	3.4
96.05254	0.5
97.02887	2.8
97.06485	1.7
99.08073	0.7
99.10110	0.4
103.05447	6.1
105.06990	3.3
107.04939	100.0
107.08556	2.8
109.02859	0.9
109.06491	0.9
109.10134	5.0
110.03651	0.9
110.10477	0.8
111.04416	0.8
119.08577	2.0
121.06483	18.5
121.10130	3.8
122.10440	0.5
123.04424	2.6
123.08012	0.4
124.96011	0.4
125.05969	37.4
125.09631	2.0
127.11149	2.1
129.07005	0.4
131.04936	2.2
131.08595	0.6
133.10100	2.4
134.03613	2.6
135.11681	2.2
136.12025	0.6
137.05957	17.7
139.03879	0.7
139.11148	0.4
143.10620	0.9
145.10066	0.4
147.04443	0.9
147.11659	1.8
148.12035	0.5
149.02316	0.6
149.05959	29.2
149.13234	0.5
151.03896	2.8
151.07518	2.5
153.01863	0.5
153.05446	1.9
154.02151	0.8
159.08041	0.5
161.05937	0.8
161.13290	0.5
162.03084	7.7
165.06987	0.5
166.55128	0.4
167.07022	6.0
167.08459	0.7
168.05670	0.7
169.06499	1.7
174.06721	1.7
175.07568	0.8
177.05426	38.7
181.06430	0.6
183.08015	1.7
184.05173	0.9
185.06032	0.8
186.06801	2.3
187.07571	1.0
189.09094	2.9
189.16362	0.6
190.16766	0.5
192.08420	0.9
193.08681	0.4
195.08093	2.4
196.08884	0.6
197.05989	2.0
198.06793	1.0
199.07602	0.5
201.09070	7.6
202.06247	0.9
203.10666	1.5
209.09631	0.6
211.07501	0.6
212.08264	0.8
213.09152	2.2
214.06213	2.8
217.08563	4.9
219.17455	0.5
223.07539	0.4
224.08092	0.5
225.05376	0.7
227.07019	5.5
227.10533	3.3
229.08549	6.9
231.10136	2.8
235.16841	0.8
236.17336	0.7
237.14874	0.8
240.07719	3.0
243.10121	0.7
253.17873	0.7
254.18346	1.6
255.10103	6.5
255.18878	0.7
271.22626	0.7
273.11172	8.0
291.12222	18.0
324.06805	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	469.2542
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03413	0.1
57.19057	0.1
58.51744	0.1
61.02914	0.2
61.82429	0.1
61.82901	0.1
67.23611	0.1
69.03396	0.7
81.03394	0.2
85.02898	1.3
85.84483	0.1
86.09670	0.7
91.05429	0.2
93.34029	0.1
97.02877	0.6
103.60152	0.1
104.54671	0.1
105.07013	2.5
113.77695	0.1
124.99940	0.2
132.08011	0.3
133.07875	0.3
133.08849	7.4
133.09862	0.3
134.09593	0.2
148.11189	100.0
149.11522	0.2
184.07327	1.2
221.84430	0.1
291.43649	0.1
292.00760	0.1
307.20102	15.1
307.50073	0.1
308.20459	0.2
429.80228	0.1
442.07089	0.2
451.24036	0.2
469.25311	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3682
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	18.8
57.07061	13.0
58.56693	1.9
67.05500	22.7
69.07046	24.8
71.08610	7.5
79.05478	9.2
81.07040	51.3
83.04974	9.1
83.08607	8.7
85.10165	2.4
89.06017	12.4
91.05480	3.3
92.08660	2.8
93.07033	14.8
95.08585	34.1
97.06499	12.3
97.10146	7.3
99.04449	3.7
105.07030	4.0
107.04995	2.1
107.08591	12.5
109.06494	9.7
109.10141	25.4
117.07021	2.4
119.08556	7.9
121.10115	4.6
122.10540	2.7
123.08067	2.6
123.11691	15.1
125.05979	52.0
127.03885	3.0
130.22946	2.1
133.08606	4.3
133.10077	3.9
135.11703	3.3
137.05908	6.8
139.03860	23.2
141.05449	3.1
145.10161	3.8
149.13179	2.5
151.07530	2.8
153.05441	65.9
153.17894	2.1
155.08641	4.0
157.10069	2.3
159.11737	4.4
161.09654	4.1
163.11189	2.4
163.98442	2.2
167.07156	3.1
173.09622	4.4
175.11174	3.2
177.11259	2.3
187.11093	2.5
193.08522	3.0
205.12251	2.4
266.01730	2.5
379.30069	2.4
397.30966	18.9
415.31937	20.2
425.19849	2.6
433.27173	4.3
433.32996	100.0
446.69824	2.7
451.36185	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	468.3163
Annotation	Unknow
Peak:m/z	Relative Intensity
51.79702	1.5
53.03941	2.4
53.11306	1.3
55.01853	1.8
55.05506	59.9
57.03438	3.8
57.07067	13.1
60.41991	1.3
61.02912	2.1
61.04892	1.4
67.05492	41.4
69.03409	7.5
69.07053	100.0
71.04978	8.8
71.08611	2.6
79.05466	20.4
81.03357	2.0
81.07039	72.1
82.50998	1.7
83.04974	8.4
83.08604	61.8
85.02897	26.4
85.06528	7.5
85.10165	1.7
88.38214	1.5
91.05469	19.0
92.63672	1.8
93.07025	32.3
95.04875	2.2
95.08583	73.1
97.02866	3.9
97.06524	14.3
97.10152	63.4
97.10754	3.3
99.04456	2.1
99.08032	5.9
105.07025	19.8
107.04956	2.8
107.08581	24.1
109.06489	3.4
109.10144	42.7
109.94358	1.5
110.13523	1.6
111.08047	9.5
111.11704	26.3
113.06060	1.6
113.09637	2.0
119.08548	25.9
121.10130	41.0
123.08045	3.9
123.11671	16.2
125.09613	3.6
125.13217	5.8
133.10088	27.0
135.11676	34.9
137.09581	7.6
137.13223	12.4
139.10233	1.7
139.11180	10.0
141.09216	1.9
145.10196	1.7
147.11671	23.2
149.13254	8.9
151.11160	9.8
151.14832	7.2
153.12755	3.8
159.11639	1.6
161.13229	16.5
163.14842	2.2
165.12724	8.8
167.07028	3.3
175.14801	8.3
179.14272	6.2
191.17889	2.7
193.15822	2.8
193.19521	2.0
217.19487	38.8
235.20525	48.4
253.21562	77.2
269.31705	1.8
271.22629	82.9
282.46097	1.9
289.23718	11.2
320.17737	2.1
330.07327	1.6
416.50937	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01868	1.2
55.05503	54.4
57.03419	6.2
57.06818	0.8
57.07071	15.8
61.02911	1.3
64.29265	0.8
67.05492	43.5
69.03413	7.9
69.07053	100.0
71.04967	7.3
71.08604	4.8
73.02892	1.3
76.28859	0.7
79.05472	18.3
81.03405	3.5
81.07036	77.6
82.07351	1.3
83.04972	7.7
83.08603	65.2
85.02889	29.5
85.06532	7.3
85.10159	1.9
91.05461	19.2
92.09308	2.0
93.07021	36.5
95.04944	1.6
95.08582	77.2
96.08948	0.8
97.02872	7.2
97.06516	17.2
97.10152	60.4
99.04398	1.6
99.08062	5.9
103.73195	0.8
105.07006	17.6
105.73022	0.9
107.04945	2.0
107.08582	25.0
109.02876	1.6
109.06488	4.0
109.10143	41.7
111.08067	8.7
111.11700	21.8
113.09599	1.9
114.37659	0.8
115.07578	1.2
116.11619	0.8
117.07047	0.8
119.08567	24.5
120.08126	0.9
121.10123	39.7
123.08059	5.6
123.11694	19.4
125.09592	7.7
125.13232	5.1
127.03918	4.2
129.09125	1.8
133.10115	27.8
135.11661	37.0
137.09595	9.2
137.13234	9.8
139.11143	9.3
141.09024	1.2
145.10130	1.2
147.11664	21.1
148.96695	0.8
149.13263	8.1
151.11145	9.2
151.14801	7.6
153.12755	9.6
155.10593	0.9
155.14339	0.8
157.12164	1.3
161.13229	19.1
163.14731	1.7
164.07040	4.1
165.12743	7.8
167.07002	1.6
171.13812	1.3
175.14777	5.6
177.16333	1.2
178.57300	0.9
179.14268	8.0
183.13889	1.1
185.57430	0.8
189.16293	1.6
191.17934	4.3
193.15840	1.7
193.19521	5.1
205.08559	1.4
217.17767	1.0
217.19472	39.7
235.20511	47.7
253.21568	89.7
257.11365	0.9
271.22617	72.5
289.15308	4.3
289.23663	9.1
297.09576	1.0
355.03156	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.3082
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	6.4
57.03432	8.2
57.07068	98.7
60.88825	5.1
62.06067	26.6
67.05463	7.1
69.07048	23.0
69.98725	5.8
71.08619	76.9
81.07011	9.4
83.08574	7.4
85.10172	41.6
88.32480	4.8
89.06017	86.2
93.07020	9.4
95.08576	30.2
97.10129	9.3
98.98448	9.9
103.68030	5.3
107.08579	9.1
109.10145	7.5
133.08566	28.8
155.00978	5.7
177.11208	10.6
197.68407	5.6
283.17410	31.3
296.29413	10.4
327.28909	100.0
428.66092	7.2
451.35983	57.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2894
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36341	0.3
57.07053	0.6
67.05486	0.6
69.07053	0.6
75.65020	0.4
79.05465	3.3
81.07027	1.0
84.31476	0.4
88.68164	0.4
89.06016	6.9
92.09321	1.7
93.07009	0.6
95.04923	0.5
103.05442	2.5
105.07008	100.0
107.08558	0.4
109.10088	0.6
133.08566	2.0
133.28304	0.5
147.08102	0.6
165.09053	0.8
177.11240	0.5
230.88403	0.5
253.15800	1.7
269.15298	2.5
283.17310	3.3
334.19577	0.4
345.18295	0.6
373.45071	0.4
464.97888	0.6
468.28494	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2803
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	4.4
56.83168	0.7
57.03421	13.6
59.05005	1.2
59.68215	0.8
61.02900	1.9
67.05481	2.0
69.03406	5.4
69.07053	2.4
69.13558	0.8
71.04977	77.8
73.02897	2.3
75.04444	4.5
79.05478	2.1
81.03400	1.1
81.07029	5.0
81.14598	0.9
83.03092	0.9
83.04959	8.8
84.79286	1.0
85.02890	100.0
87.04420	4.2
91.05441	1.3
93.07031	4.5
95.04960	1.2
95.08590	4.2
97.02853	2.3
97.06511	2.0
99.04415	1.3
101.05962	0.9
105.07011	1.5
107.08559	4.1
109.10133	0.9
111.04417	4.7
112.62781	0.8
119.33994	0.9
121.10123	1.3
123.51177	1.0
127.03897	4.0
127.30669	0.9
129.05452	26.7
133.10060	1.6
141.82202	1.0
143.08530	1.3
144.31967	1.0
145.04929	2.1
147.06506	13.4
164.09138	2.4
182.97484	1.0
273.09723	1.7
289.10681	1.1
309.11795	1.9
330.84409	1.0
463.69125	1.1
481.50372	1.2
491.77658	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
52.28115	1.0
53.03917	2.1
55.01857	4.8
55.05494	5.5
57.03416	2.1
59.04963	1.0
61.02898	4.3
64.04217	1.1
67.05485	11.8
67.48287	1.1
69.03412	9.2
69.07056	18.0
71.01315	1.4
71.04967	13.7
73.02885	1.3
77.03868	1.1
79.05102	1.4
79.05479	20.7
81.03397	2.6
81.06592	2.3
81.07034	47.4
83.04960	12.0
83.08597	4.4
84.28460	1.0
85.02886	17.8
85.06553	8.3
85.12296	1.1
86.09687	8.6
91.05450	12.1
93.07021	62.2
95.04948	15.3
95.08572	20.7
97.02847	5.2
97.06512	38.2
99.04420	13.5
101.05988	2.3
101.56225	1.4
104.10724	12.3
105.07011	36.8
107.04948	3.0
107.08572	38.5
109.02811	1.5
109.06493	35.1
109.10129	4.7
109.99811	1.1
111.08044	13.9
113.05997	2.9
117.07006	1.3
119.04897	1.4
119.08549	21.7
121.06481	97.2
121.10118	9.6
123.04381	1.2
123.08031	7.1
123.11671	10.7
124.99963	4.4
125.05959	13.8
127.03856	1.6
127.07530	12.7
129.05443	2.0
129.06975	6.7
131.08536	6.0
133.06448	5.1
133.10103	18.4
135.04405	2.9
135.08031	17.3
137.05959	2.3
137.09610	1.5
139.07524	23.5
141.05466	1.6
142.07785	2.8
143.07039	5.6
143.08510	9.6
145.04869	2.1
145.10135	8.9
147.08055	4.6
147.11664	60.6
149.09607	2.7
149.13263	1.5
149.59238	1.2
151.11166	1.9
153.01866	1.4
156.09299	2.6
157.08604	9.4
157.10117	21.0
159.06604	1.6
161.05951	1.9
161.13223	12.1
165.12726	29.7
166.07748	1.8
169.12202	6.9
171.11627	21.6
175.11148	42.7
180.08708	1.5
181.10117	8.3
184.07297	13.4
184.17740	1.2
189.12740	24.5
191.08084	2.1
193.12192	30.1
199.11160	38.7
207.13760	10.0
211.13235	23.9
217.12187	83.2
229.14322	2.5
235.13237	72.5
253.14291	100.0
271.15274	19.4
289.16400	20.5
303.04987	2.8
304.05219	9.7
305.05524	9.1
306.05820	13.7
420.32758	1.4
421.07962	1.2
435.83395	1.4
468.23642	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28667	0.2
54.80993	0.3
55.56554	0.2
57.08689	0.2
59.37548	0.2
69.03407	0.6
79.05471	1.9
81.03410	0.3
82.92526	0.2
85.02882	1.2
95.04963	0.9
97.02850	1.0
98.97498	0.3
103.05448	1.5
105.07014	100.0
106.07341	0.4
113.02339	0.5
117.87458	0.3
122.09643	28.0
123.04420	1.3
133.00166	0.3
134.07103	0.3
139.03893	0.5
145.04956	0.3
146.05980	0.5
151.03847	1.0
204.65553	0.3
213.64359	0.2
389.19592	0.3
399.94083	0.3
406.07953	0.3
451.27606	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.2072
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.8
55.01851	1.2
56.96555	0.7
57.03429	8.0
59.27444	0.7
61.02898	2.8
69.03410	4.6
70.06573	0.9
75.04449	4.2
75.19842	0.7
79.05475	4.2
81.03400	1.7
85.02888	18.7
86.09669	0.7
87.04443	1.0
91.05462	12.2
91.26103	0.8
95.04948	1.2
97.02848	4.7
107.04934	9.5
111.04439	1.1
116.98565	1.0
119.04919	32.6
121.06467	10.1
122.03547	0.9
123.04417	1.7
125.05934	1.3
127.03857	1.3
135.04379	18.0
137.05952	100.0
138.06245	0.8
145.04930	0.8
145.06512	1.0
147.04384	60.8
149.05946	12.3
150.75240	0.7
151.07530	1.6
152.04659	24.6
160.67120	0.8
163.07503	0.9
164.04704	1.2
165.05408	7.0
166.06145	1.8
167.06998	26.9
175.07506	4.2
177.09036	0.7
179.06995	29.7
179.08482	1.5
194.73009	0.7
197.08124	6.8
204.06467	1.4
205.08774	0.9
217.08511	0.8
223.09547	1.1
235.09479	2.9
237.02853	0.9
241.10654	53.8
253.10655	2.5
271.11725	11.9
309.08676	0.8
401.54422	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	468.1863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.31444	0.1
64.87789	0.1
74.35519	0.1
79.05470	0.7
85.02885	0.1
91.05507	0.4
92.08574	0.1
93.07016	0.9
95.04971	0.1
96.16859	0.1
97.02895	0.1
103.05449	5.7
105.04491	0.1
105.06976	0.1
107.04942	1.8
120.08078	100.0
121.08431	0.7
123.04342	0.1
127.03864	0.1
131.04897	2.7
141.05460	0.1
147.21414	0.1
149.05954	1.6
166.08598	24.5
171.96585	0.1
178.92375	0.1
217.89276	0.1
333.32718	0.1
378.93698	0.1
420.54025	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	468.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
53.75945	1.6
55.01860	2.5
55.05499	4.3
55.12971	1.5
57.03425	17.0
57.42499	1.3
67.05489	6.2
69.03414	4.1
69.07038	7.2
71.04971	100.0
73.02875	3.2
75.04417	2.0
79.05463	2.2
81.07027	11.3
83.04941	6.8
84.62784	1.6
85.02885	90.4
85.06522	2.6
86.09680	2.0
87.04454	2.9
91.37161	1.5
93.07001	4.3
95.04928	2.3
95.08584	11.6
97.02790	1.8
98.97553	2.5
99.04438	3.1
105.06981	3.2
107.08575	7.9
109.02843	2.8
109.06528	2.8
109.10103	2.4
111.04376	2.1
119.08557	4.0
121.10136	6.9
123.04385	24.1
123.11657	6.6
129.05469	18.6
133.10062	2.8
134.10336	1.9
137.13130	2.2
139.03870	3.4
139.11139	2.0
147.06477	2.4
149.02310	11.0
153.01802	36.5
153.05339	1.8
167.03366	2.7
167.06963	2.0
169.04890	2.1
189.05421	1.9
195.02872	8.2
223.16934	2.2
231.06470	8.5
253.17882	8.2
259.05798	12.6
273.07513	2.8
303.04871	2.0
304.05206	3.3
305.06537	28.9
306.05933	2.4
377.01416	3.1
420.24402	2.1
471.71204	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.2873
Annotation	Unknow
Peak:m/z	Relative Intensity
53.18774	1.9
55.01853	2.6
55.05498	21.9
57.03425	2.4
57.07060	3.7
59.46667	2.2
67.05489	64.2
68.05817	2.9
69.03394	4.4
69.07054	27.8
71.04970	18.9
73.02892	2.9
79.05471	26.7
79.88332	2.5
81.07031	84.6
82.07388	3.8
83.08604	13.7
85.02883	18.7
85.06532	10.9
91.05464	20.4
92.09325	5.3
93.07030	41.3
95.04934	3.7
95.08578	100.0
97.02852	4.9
97.06515	6.0
97.10155	6.1
105.07018	11.7
107.04987	3.7
107.08569	36.9
109.06484	4.9
109.10140	57.5
119.08541	14.8
120.66872	2.8
121.10092	35.5
123.04443	9.7
123.08106	3.0
123.11677	17.7
126.13396	2.5
129.05525	2.6
131.08530	13.3
133.10057	20.8
135.11653	26.7
137.09579	4.5
137.13249	5.9
145.10088	12.0
147.04358	4.0
147.11649	10.9
149.09512	3.4
149.13234	12.6
151.11154	10.4
153.01886	6.4
157.10030	3.1
159.11679	4.4
163.03879	3.5
173.13313	4.2
174.13300	2.4
191.03360	21.6
191.17928	17.2
209.18875	4.5
213.16296	3.9
215.17975	14.6
233.18977	6.0
251.19954	21.6
269.21066	25.1
279.44788	2.7
287.22116	42.2
303.05020	5.9
304.05396	3.2
305.05399	11.1
329.28592	2.6
330.13623	2.6
343.08035	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	467.2098
Annotation	staurosporine
Peak:m/z	Relative Intensity
55.01866	1.1
55.05506	0.7
57.03417	0.9
63.18576	0.4
64.98776	0.5
65.03917	0.7
67.01847	0.9
67.05501	2.3
68.15884	0.5
68.89164	0.5
68.99786	2.8
69.03403	5.3
71.04961	0.7
79.05489	0.5
81.03398	2.3
81.07048	0.9
81.58963	0.5
83.04955	2.2
85.02889	6.4
89.06014	1.2
91.05469	0.7
93.03378	0.8
95.04953	4.4
95.08578	0.7
97.02868	4.7
98.97575	0.6
99.04445	1.0
105.07011	1.0
107.04963	2.3
107.08488	0.5
109.02856	0.6
109.06483	0.8
111.04436	5.4
114.37090	0.5
115.03827	0.5
119.04937	2.5
119.08591	0.9
121.02842	2.6
121.06534	0.6
122.03656	1.1
123.04404	14.4
123.08050	0.9
125.05981	0.7
127.03938	4.0
129.05499	0.8
133.02815	0.7
133.06451	1.1
135.04419	2.3
137.02351	0.6
137.05954	49.7
139.03882	98.8
140.04305	2.4
142.08621	1.1
143.04950	0.7
144.04520	0.7
144.08102	1.0
145.04985	0.6
145.10136	0.6
147.04376	23.0
147.05447	0.9
149.02325	19.9
149.03453	1.0
150.02853	0.6
151.03888	2.6
153.01799	26.9
153.02988	1.2
154.02138	0.6
155.07005	1.1
157.06448	0.8
161.02393	0.9
161.05972	2.0
163.03902	2.6
165.09111	0.9
167.03378	4.9
171.02914	1.2
172.03856	4.1
175.07568	3.4
179.07025	3.6
181.04990	0.8
184.09744	1.0
185.05948	2.4
189.05501	0.9
193.08597	1.3
195.02881	4.2
213.05560	4.3
213.07352	0.5
221.08046	3.7
231.06500	14.8
237.02968	0.7
241.05011	0.8
257.07977	0.6
259.05936	11.2
287.05521	5.7
287.08734	0.8
288.14450	1.1
305.06592	14.5
305.10236	12.2
305.15646	14.5
389.16583	0.6
467.20932	100.0
468.21548	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1699
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02365	0.8
53.03934	4.4
55.01856	0.7
55.05505	0.8
57.03411	0.4
61.34485	0.3
64.33533	0.5
65.03911	0.8
67.01860	1.4
67.05479	1.8
68.99758	0.5
69.03373	0.3
69.07043	0.6
77.03897	2.4
78.04672	0.5
79.05472	3.0
81.03373	0.6
81.07021	2.4
83.04954	0.6
85.49492	0.4
89.14038	0.3
91.05442	1.8
93.03373	2.2
93.07013	1.8
95.04942	20.2
95.08578	1.5
97.06496	2.7
98.98419	0.4
99.04456	0.5
103.05429	0.5
105.04514	2.9
105.06979	0.8
107.04926	1.5
107.08569	0.8
108.02063	1.7
109.06498	2.4
109.10142	0.8
109.81465	0.4
113.02357	1.5
115.03858	0.6
115.12856	0.3
119.08562	0.7
121.06480	2.6
121.10126	0.5
123.03535	0.7
123.04404	20.4
125.05972	1.4
130.95253	0.4
131.03351	0.5
131.04918	0.5
131.08615	0.5
133.10086	0.5
135.08037	0.6
135.31905	0.4
136.01552	0.8
137.05957	11.6
138.03148	0.7
138.06749	0.6
139.03899	1.9
139.07515	0.8
147.11800	0.4
147.23253	0.4
148.05180	0.9
151.03877	34.1
151.07513	4.0
153.05441	10.7
158.07207	0.8
161.05899	0.8
165.05440	4.2
165.09027	0.4
165.12680	0.4
167.06992	3.5
169.04926	0.5
169.06361	0.4
171.04314	0.4
171.08017	0.4
174.06679	0.6
175.03909	0.8
175.07481	2.2
179.03369	0.9
181.04929	14.5
185.06020	0.4
186.06615	0.7
187.07501	0.5
188.04547	0.5
189.05447	0.6
189.09186	0.6
197.06012	0.6
198.06732	0.5
199.07581	0.5
201.05328	0.4
201.08916	2.8
203.07135	1.4
204.07695	0.4
213.05429	0.9
213.09143	0.5
214.06262	0.8
215.06993	2.4
215.10533	0.4
217.91788	0.3
225.05414	0.5
227.06969	0.6
229.08528	3.8
231.06560	1.5
239.06935	0.6
240.07701	0.6
241.04944	0.5
242.05682	1.9
243.06595	1.3
246.08690	0.4
255.06441	0.6
256.07205	3.4
256.14029	0.4
257.07990	4.3
258.08795	0.7
259.05814	0.6
261.11322	0.6
263.08994	2.8
267.65549	0.4
270.08649	0.4
271.05890	1.7
271.09637	3.9
273.07587	0.5
284.06940	0.4
285.07544	2.6
287.05359	0.6
289.10776	2.0
295.22733	0.6
299.09088	2.4
317.10126	100.0
318.10605	0.5
369.26279	0.5
392.28616	0.4
392.33801	0.4
432.17346	0.8
465.46158	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1713
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02380	0.8
53.03939	6.4
55.01858	1.1
55.05502	3.4
57.03424	1.5
65.03930	1.3
67.01852	1.1
67.05492	4.2
68.99767	0.6
69.07042	1.4
77.03914	2.5
79.05465	5.4
81.03397	4.1
81.07030	5.0
82.03757	0.8
83.04967	1.3
85.02885	3.0
89.33727	0.6
91.05453	4.6
92.05787	0.8
93.03373	1.6
93.07008	5.3
94.07349	1.2
95.04945	19.9
95.08578	2.4
97.06504	0.8
97.10131	0.7
103.05444	0.8
105.04500	2.9
105.07011	4.4
107.04936	2.9
107.08564	3.6
108.02067	1.4
109.06483	2.8
109.10146	1.4
113.02296	0.7
117.06997	0.7
119.08582	2.5
120.08912	0.8
120.49281	0.7
121.06487	1.5
121.10187	0.9
123.04408	17.8
125.05974	1.2
131.04898	1.2
133.06477	0.7
133.10110	1.0
135.11642	1.2
136.01503	0.7
136.09146	0.6
136.11966	1.1
137.05960	12.0
138.03171	1.0
139.03882	2.6
139.07503	0.8
147.11563	0.8
148.05161	1.0
151.03877	30.7
151.07523	5.5
153.04303	0.9
153.05447	10.0
161.06032	0.7
165.05441	3.2
165.09151	0.7
167.07030	4.1
167.32016	0.6
175.03908	0.7
175.07463	1.0
181.04918	16.1
189.09126	0.8
201.09050	2.3
214.06183	1.0
215.06989	2.8
225.05217	0.8
229.08569	2.6
231.06459	1.1
242.05637	1.4
243.06500	1.0
256.07312	1.4
256.16174	1.1
257.07974	8.1
263.09149	3.0
271.06137	1.0
271.09604	4.4
272.27951	0.7
285.07358	2.3
287.05368	1.0
289.10617	2.6
299.09109	2.8
302.07681	0.7
317.10120	100.0
318.10455	0.9
351.25726	0.9
449.27936	1.3
466.28867	2.3
467.28372	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1178
Annotation	Helicioside B
Peak:m/z	Relative Intensity
53.03931	1.3
54.42306	0.4
55.01855	2.9
55.05505	0.7
56.96549	0.9
57.03422	2.9
57.88624	0.4
61.02892	2.8
62.31267	0.5
65.03901	0.6
66.67126	0.5
67.01854	0.9
67.05474	0.8
68.99769	3.5
69.03417	8.5
71.04961	5.3
73.02885	3.4
77.79250	0.4
79.05471	0.8
81.03389	4.5
81.07040	0.8
83.04985	0.6
85.02880	20.4
85.03362	1.0
87.04436	0.5
89.06011	7.3
92.09370	1.8
95.04929	2.3
97.02863	11.3
97.06522	0.6
97.56866	0.5
98.97563	3.3
99.04430	1.3
105.03379	1.8
105.23743	0.5
107.04937	2.5
109.02854	3.7
110.03679	0.5
111.00793	1.0
111.04402	2.3
113.61478	0.5
115.05468	0.7
116.98595	2.2
117.06973	0.5
121.02826	8.0
121.10154	0.7
123.04396	33.6
123.85973	0.5
125.06000	1.1
125.09617	0.9
125.27728	0.5
127.03873	6.3
128.98582	0.8
129.07013	1.2
133.02878	0.5
133.06508	0.6
135.04387	3.1
136.07567	0.8
137.02330	2.6
139.03889	2.0
141.06898	0.8
145.04958	2.6
145.06451	2.3
147.04398	2.8
149.02313	100.0
150.03029	0.8
151.03909	1.0
153.01797	36.7
156.02919	1.1
157.06432	4.6
161.02335	2.7
161.05975	1.3
163.03882	1.1
165.01826	0.9
167.03436	5.4
171.02881	1.2
175.03883	4.3
175.07565	2.8
177.05394	0.8
183.02856	1.0
185.05933	11.6
189.05464	0.7
193.04805	0.6
195.02869	3.7
197.05994	2.3
199.03787	0.7
203.03374	9.9
203.06996	2.0
213.05415	18.0
231.06471	87.4
237.02811	1.0
241.04884	12.9
243.08502	0.7
259.05942	91.7
269.04367	5.0
269.12811	0.8
273.03897	0.5
287.05429	79.2
293.08853	0.9
305.06479	15.4
305.09998	0.7
305.14777	2.4
407.12064	2.9
431.98013	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1181
Annotation	Ampelopsin 3-rhamnoside
Peak:m/z	Relative Intensity
53.00295	0.3
53.03937	0.6
55.01862	0.5
55.05503	1.4
57.03428	16.1
59.04989	1.4
61.02911	1.3
65.03918	0.3
67.01836	0.4
68.99775	0.6
69.03426	2.8
71.01338	0.6
71.04976	100.0
72.44564	0.3
73.02907	2.1
75.04457	2.8
83.04965	2.0
85.02888	88.0
87.04456	2.2
89.10059	0.3
99.04440	0.5
105.06986	0.3
107.04917	0.7
109.02887	1.2
110.86208	0.3
111.04435	4.5
121.02825	2.6
123.04375	0.6
127.03860	1.2
129.05444	15.6
131.04881	0.3
135.04390	1.6
139.03880	14.5
139.65134	0.3
145.06516	0.5
147.06490	3.1
149.02321	16.3
150.03064	2.1
151.03883	0.5
153.01808	24.8
155.04793	0.4
163.03880	1.7
165.01785	1.4
167.03383	3.6
169.04921	0.5
173.05943	0.6
176.69337	0.3
177.01773	1.4
177.05528	0.5
179.03319	0.7
183.02853	0.4
183.04347	0.7
191.03342	1.5
195.02858	7.3
195.10045	2.1
201.05388	2.1
203.03345	0.4
205.04915	0.4
219.02878	3.1
225.05251	0.3
229.04910	5.3
245.04308	0.7
247.03629	0.5
247.05963	8.8
253.04839	0.5
257.04376	3.0
263.05429	1.8
265.28421	0.3
274.04633	0.3
275.05441	11.3
281.06589	0.6
287.04987	0.4
303.04932	5.6
321.05972	19.8
385.08862	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	467.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
50.16898	0.5
51.12680	0.5
53.00317	0.5
53.03944	0.6
55.01848	1.0
55.05499	2.4
57.03173	1.0
57.03428	16.8
59.04985	0.7
59.07898	0.5
61.02915	1.2
67.05486	1.1
68.99765	1.2
69.03419	8.4
70.06554	0.6
71.04975	100.0
73.02899	2.4
75.04462	3.2
79.05452	1.8
81.03426	0.7
81.07037	3.2
82.57215	0.5
83.04966	3.0
85.02891	92.8
87.04460	3.4
91.05463	2.5
93.07024	2.2
95.04928	1.2
95.08598	3.4
97.02870	2.4
97.06493	0.7
99.04433	0.9
100.37415	0.5
105.06996	0.9
106.64469	0.5
107.04929	2.4
109.02871	0.8
109.10115	0.5
110.88438	0.5
111.04438	4.3
121.02864	2.3
121.10120	1.1
123.04402	5.2
123.11683	0.5
127.03850	0.9
129.05460	15.9
133.10132	0.9
135.04414	3.9
135.11720	0.6
137.02330	0.7
137.05981	1.1
139.03879	14.6
146.45927	0.6
147.04401	0.7
147.06503	2.8
149.02312	19.2
150.03085	0.7
151.03955	0.9
153.01802	45.1
155.03423	0.7
159.04396	0.5
163.03873	3.5
165.01709	3.8
167.03369	4.5
171.02863	0.7
177.01831	0.6
177.05449	1.1
179.03380	2.7
183.02919	1.9
183.04401	1.0
191.03349	4.6
195.02856	11.5
201.05540	1.1
203.03496	1.1
205.05112	0.6
213.05420	0.9
219.02863	4.6
229.04900	4.2
231.06520	2.9
233.18852	0.6
245.04370	3.6
247.05983	6.9
257.04459	3.0
259.05930	1.3
263.05515	3.5
269.20737	0.5
271.06085	0.9
275.05386	8.8
281.06613	1.2
287.05438	1.2
287.14175	0.6
303.04926	5.4
305.06357	2.9
317.06552	1.0
321.05954	14.4
327.04758	0.8
345.05945	0.8
363.06769	1.1
387.07031	0.7
393.15442	0.6
431.09995	1.0
472.19678	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.41
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47615	5.6
57.07060	45.5
57.07294	6.0
71.08615	53.2
72.29684	6.5
85.10164	16.0
89.06023	100.0
109.79169	6.7
133.08554	34.1
133.67622	6.9
160.34767	6.7
198.47842	8.1
239.14899	17.7
241.78970	8.1
304.58990	9.2
312.41180	8.9
365.32581	8.4
449.38150	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	466.3011
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.8
55.01856	2.5
55.05509	11.1
57.03429	6.9
57.07056	2.1
61.02911	5.9
67.05494	29.2
69.03426	13.4
69.07050	11.9
71.04953	7.9
73.02902	14.9
76.56203	1.6
79.05479	20.6
81.03397	3.2
81.07044	76.4
82.07323	1.5
83.08590	8.8
84.14112	1.3
84.33233	1.4
85.02895	33.4
85.06525	7.4
87.04422	2.3
91.05460	16.2
93.07017	29.5
95.04940	3.1
95.08592	47.9
97.02866	18.6
97.06521	7.0
97.10147	6.4
105.07017	10.4
107.04944	100.0
107.08575	22.1
108.05309	2.0
109.02843	3.1
109.06516	2.0
109.10149	24.2
111.08095	2.1
115.03854	4.7
117.06963	5.8
119.08570	12.4
121.06469	30.4
121.10105	17.0
123.04417	2.4
123.08037	3.6
123.11677	9.0
125.05939	1.5
127.03875	7.3
128.77602	1.8
131.08533	10.1
133.04955	1.7
133.06479	9.0
133.10150	14.7
135.08018	9.4
135.11673	12.2
137.05960	20.2
137.09610	3.4
137.13229	18.8
139.07478	1.6
139.11133	1.5
145.04922	2.3
145.06462	7.2
145.10071	2.9
147.08073	2.1
147.11685	5.8
149.05969	49.1
149.09558	2.6
149.13222	7.9
151.11162	7.2
153.09050	1.6
153.12703	1.5
159.11630	6.8
161.13257	2.9
163.07474	10.7
163.11087	1.6
173.13188	3.1
175.14737	1.7
177.12737	5.8
179.67815	1.7
181.11964	1.6
191.17987	1.6
195.13692	2.7
215.17964	14.3
233.18980	7.5
251.20004	8.8
267.70847	1.7
269.11667	9.6
269.17426	8.7
269.21051	42.7
287.12735	19.3
287.22079	14.6
424.85544	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.8
55.05505	8.0
57.03426	14.1
57.07056	1.6
61.02915	5.1
65.03931	0.6
67.05491	36.3
67.05851	1.3
69.03408	3.5
69.07050	14.6
71.04975	5.0
73.02881	2.7
79.05473	21.7
81.03387	1.6
81.07037	54.5
81.57274	0.6
83.04968	4.6
83.08606	10.3
85.02889	10.0
85.06538	1.5
91.03941	1.4
91.05458	11.1
93.07019	42.2
95.04966	3.1
95.08586	15.3
97.02874	4.6
97.06501	8.9
97.10167	1.4
99.08067	1.4
105.07014	6.1
107.04932	14.3
107.08578	23.9
109.06492	1.2
109.10141	2.5
111.08092	5.9
113.05939	0.6
115.03902	1.0
117.06988	6.1
119.08572	1.6
121.06499	1.0
121.10126	16.4
123.11691	2.6
127.03962	1.0
131.04945	0.7
131.08543	8.9
133.06461	7.8
133.10126	7.6
135.08061	2.7
135.11661	6.9
137.05997	0.7
139.11195	1.0
147.11671	1.4
149.13239	26.7
151.11182	1.0
159.11650	13.1
161.05904	6.0
163.05823	0.9
167.07040	1.6
177.12691	8.4
179.14291	1.5
181.08403	0.8
193.08537	1.2
195.13731	9.8
213.14876	0.9
251.16324	0.9
258.13293	0.9
269.17419	100.0
283.78275	0.7
304.13724	1.0
431.22580	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00276	1.0
53.03927	0.6
55.01860	3.4
55.05499	3.7
57.03426	31.3
57.07064	0.8
59.04971	4.4
60.04507	0.8
60.10827	0.8
61.02909	7.2
67.05486	12.3
68.05814	0.7
69.03412	78.8
69.07042	5.6
71.04960	4.2
73.02901	7.1
75.04451	3.9
79.05466	6.0
81.03394	6.5
81.07034	47.9
83.04938	1.7
83.08591	4.9
85.02885	100.0
85.06526	1.0
87.04446	47.8
91.03905	3.5
91.05437	4.2
93.07015	13.7
95.04935	1.2
95.08581	12.3
97.02866	63.4
97.06475	1.6
99.04418	4.7
99.08035	0.7
103.03901	1.0
103.05590	0.7
105.06989	4.4
107.04919	11.1
107.08575	7.2
109.02861	7.2
109.10164	1.2
111.08032	1.4
113.96922	0.7
114.98129	0.9
115.03905	55.1
117.06993	3.2
119.08537	0.9
121.06414	0.9
121.10092	3.9
123.04380	4.0
123.11676	3.1
124.48445	0.7
127.03881	16.0
131.08513	1.6
133.04936	48.7
133.06386	9.0
133.10066	3.4
135.11638	3.1
137.05949	16.0
137.13222	18.7
145.04936	23.5
145.10187	1.1
147.11639	0.9
149.05927	0.9
149.13200	4.3
150.07578	4.5
151.03888	1.0
159.11656	5.1
163.06021	7.8
163.07268	1.2
169.04910	1.0
177.12660	4.9
179.14207	1.2
180.06503	1.1
195.13776	3.3
233.15067	0.9
241.07108	1.3
251.16261	2.7
259.08075	3.4
269.11520	1.4
269.17419	24.6
277.09225	1.2
287.18369	1.2
295.10101	6.5
317.19592	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	466.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.8
54.14624	1.0
55.01860	1.6
55.05488	7.9
57.03413	7.2
57.07059	5.3
59.04976	3.2
61.02895	1.9
66.81100	1.5
67.05483	12.1
68.14384	1.3
69.03403	22.8
69.07046	25.0
71.04604	2.5
71.04971	48.4
72.90612	1.3
73.02895	24.8
74.03220	2.4
77.66443	1.1
79.05477	11.7
81.07029	28.4
82.79305	1.1
83.04958	8.9
83.08592	8.0
85.02884	43.8
85.06512	8.6
85.34549	1.2
86.03237	1.6
87.04438	3.2
91.05435	9.0
93.07011	24.1
95.04923	9.9
95.08575	27.4
97.02858	8.1
97.06478	6.7
97.10119	2.0
99.04448	13.6
99.08051	7.1
101.05996	2.4
103.03917	2.6
105.07001	20.7
107.04934	2.9
107.08567	36.1
109.02827	1.4
109.06502	7.0
109.10133	35.8
111.04383	1.6
111.08039	8.3
111.11708	9.2
113.05978	9.9
115.03909	2.2
117.06979	2.0
119.08539	31.1
121.02768	1.1
121.06457	2.6
121.10106	28.7
123.04382	2.6
123.08038	36.1
123.11660	8.3
125.05945	6.4
125.09624	6.3
127.03851	1.5
127.11146	13.6
129.05461	4.7
131.08508	9.4
133.10097	31.4
135.08032	6.4
135.11671	9.6
136.73872	1.3
137.02322	2.5
137.09587	26.9
139.07504	2.3
139.11137	7.9
141.05421	2.1
141.09090	3.2
143.07008	3.0
143.08385	1.6
145.10074	20.3
147.04375	1.5
147.06508	1.4
147.07973	2.7
147.11639	9.8
149.09619	6.6
149.13211	8.9
151.11099	10.2
153.01799	6.6
153.09067	6.3
154.02115	1.8
155.10616	5.2
157.12160	7.1
159.07971	2.2
159.11659	1.7
161.09579	10.8
163.11098	13.1
163.14795	2.4
165.01732	2.3
165.09032	9.1
167.10658	1.9
167.14294	6.1
171.10176	2.3
171.11577	2.3
173.09532	2.7
173.13206	22.0
179.10602	2.5
183.10089	16.9
187.14804	11.0
189.12752	1.5
189.16302	1.7
191.14230	19.7
197.11682	15.8
201.05432	1.6
205.15855	9.0
209.15289	5.6
214.83823	1.4
215.14253	5.0
221.15297	1.9
223.16760	2.4
229.04924	3.2
233.15315	33.6
241.18030	1.6
251.16347	44.4
269.17413	100.0
287.18564	12.3
303.04904	32.3
304.01825	2.8
304.05240	67.1
305.05496	2.3
419.32306	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2281
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
55.01871	0.9
55.05501	1.0
57.03430	8.2
59.04994	0.5
61.02905	0.9
64.75874	0.4
67.05486	2.1
69.03417	5.8
69.07060	1.2
71.04976	23.4
72.05312	0.5
73.02881	2.3
75.04454	0.5
79.05484	3.6
80.75385	0.4
81.03391	2.5
81.07032	3.4
83.04969	0.9
85.02889	28.9
85.06524	0.7
85.99287	0.4
87.04457	0.7
91.05447	2.4
93.07008	3.4
95.04945	6.6
95.08582	2.5
97.02860	3.6
97.06514	0.8
99.04418	1.1
103.03909	0.9
103.05430	2.1
105.07018	7.3
107.04940	35.9
107.08595	4.7
109.02856	4.6
109.06495	2.6
109.10164	0.9
111.04430	0.8
111.08052	1.0
115.03886	0.6
115.05422	0.9
117.06983	2.5
119.08538	1.1
121.06477	1.0
121.10129	1.2
123.04421	4.8
123.08063	2.7
125.05978	1.0
125.09583	0.8
127.03870	2.8
127.07501	0.6
129.05443	4.0
131.04935	0.6
131.08417	0.5
133.10118	0.8
135.08040	13.8
135.11620	0.7
137.05928	0.8
137.09558	2.3
139.03828	2.7
140.04623	7.2
141.05461	11.4
145.04921	1.2
145.10114	3.3
147.04361	1.0
147.06567	0.5
147.11652	1.2
149.02278	2.2
151.07545	1.1
151.11127	0.5
153.01816	6.3
154.06235	2.6
155.07034	9.0
163.07513	27.2
163.08904	0.9
163.11163	1.1
165.09064	0.5
167.05611	1.1
167.06992	19.5
169.04921	39.7
179.10701	0.9
180.07784	15.4
187.14719	0.7
193.08571	1.2
195.02873	0.8
195.10132	100.0
198.08847	10.0
201.05400	0.6
205.15900	0.5
211.09663	1.0
213.11070	0.7
215.14284	0.6
229.04929	0.8
233.15340	1.2
237.94890	0.7
247.06050	0.7
251.12750	1.0
251.16354	4.2
263.05618	0.5
269.13782	39.3
269.16901	1.3
275.05417	2.1
287.14795	7.1
303.05066	0.6
319.04465	3.3
320.04745	6.4
321.06058	4.2
374.69150	0.5
415.88577	0.7
452.97449	0.5
466.17200	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.2
55.01859	1.2
55.05494	1.3
57.03415	2.3
61.02916	2.1
67.05479	3.4
69.03409	4.2
69.07047	2.2
69.57396	0.3
71.04962	1.4
73.02888	1.2
79.05480	2.4
81.03396	1.9
81.07032	10.7
82.07365	1.5
83.04958	0.5
83.08587	0.6
85.02882	13.2
85.06528	0.6
87.04452	1.3
91.05460	2.9
92.08666	0.4
93.07008	2.4
95.04935	1.6
95.08583	3.3
96.94182	0.3
97.02872	4.1
97.06538	0.4
105.07007	4.8
106.07314	0.4
107.04932	100.0
107.08574	1.8
109.02865	1.1
109.06499	1.6
109.10139	1.2
115.03925	0.4
117.06969	1.4
119.08545	2.5
120.08863	0.5
121.06474	43.8
121.10102	2.9
122.10446	0.6
123.11677	3.1
124.12002	0.7
127.03880	1.2
131.04843	0.5
131.08531	0.4
133.06454	6.0
133.10107	0.7
135.04489	0.3
135.08011	4.0
135.11684	0.5
137.05940	12.6
137.13176	1.5
138.06273	0.3
145.04863	0.6
145.06474	6.6
147.08171	0.3
147.11655	5.9
148.11961	2.3
149.05948	89.9
159.11688	0.3
161.05911	2.3
163.07501	11.0
165.12688	1.6
166.13007	1.3
175.07472	0.7
175.11151	0.3
191.06921	0.4
215.06984	0.5
229.14221	0.4
267.00925	0.3
267.15759	2.1
268.16107	0.7
269.11624	10.5
269.17340	0.7
269.21121	1.1
285.16855	5.2
286.17291	4.1
287.12692	27.4
293.09915	0.3
299.12491	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.4
53.03931	2.1
53.61395	0.4
55.01875	0.7
55.05495	2.3
57.03428	5.7
57.07060	1.1
61.02908	3.0
64.00876	0.6
67.05492	7.1
69.03419	9.9
69.07050	4.8
71.04974	0.9
73.02901	2.8
79.05476	6.7
81.03405	2.6
81.07036	42.6
83.08598	2.5
83.62229	0.5
85.02889	18.6
87.04455	3.8
90.86116	0.5
91.03936	0.7
91.05460	4.5
93.07016	9.1
94.04176	0.7
95.04947	1.3
95.08577	10.9
97.02872	8.4
97.06512	3.3
99.04434	1.1
103.05450	12.2
105.07034	3.2
107.04958	3.4
107.08572	5.2
109.02876	0.7
109.06483	1.0
109.10131	3.7
111.04405	1.2
111.08083	0.7
115.03918	4.5
117.06963	1.2
119.08578	0.7
121.06480	0.8
121.10131	2.9
122.03635	3.9
123.04409	5.6
123.11683	2.4
125.09639	0.8
127.03886	0.7
131.04898	29.9
131.05881	1.1
131.08525	1.2
131.94266	0.5
133.04932	4.5
133.10129	2.4
135.07133	0.8
135.08032	7.1
135.11684	3.3
137.05951	100.0
137.13245	3.8
145.04977	2.1
145.10046	0.7
149.05916	0.5
149.13272	2.7
151.07513	4.3
156.31012	0.5
159.11697	3.0
163.07504	65.9
177.12758	2.6
179.14307	0.9
195.13814	2.7
215.17966	1.9
223.12912	0.6
233.18944	0.7
242.14159	0.6
251.19998	3.4
269.17523	8.4
269.20743	5.4
287.12708	16.8
453.00766	0.6
471.25858	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.1
55.01865	12.4
57.03429	19.9
58.92918	0.8
59.04984	1.8
60.04527	0.8
61.02915	16.6
67.05463	1.2
67.80425	0.7
69.03413	32.3
71.01328	4.2
71.04961	4.5
72.08125	0.7
73.02898	100.0
74.80550	0.6
79.05465	1.5
81.03410	5.6
81.07030	1.6
83.04961	1.0
84.87045	0.6
85.02888	63.1
87.04443	7.6
91.03922	1.8
91.05473	1.6
93.07035	2.8
95.04931	8.3
95.08574	1.0
97.02869	44.5
99.04404	3.9
103.03856	0.8
105.07003	1.6
107.08546	1.3
109.02857	5.3
109.06494	1.1
109.10149	1.4
111.04441	0.9
111.08108	0.9
114.05499	0.9
115.03898	20.5
119.08566	1.2
121.02829	0.9
121.06488	1.3
123.04398	85.2
125.05960	1.0
127.03889	17.3
131.08513	0.9
133.02792	0.8
133.04942	18.1
133.10109	0.9
135.08003	0.9
137.05956	3.6
139.03914	1.1
141.05392	1.0
141.09137	0.7
143.90878	0.8
144.06566	2.8
145.04944	16.3
145.10103	0.9
147.04370	1.6
147.08049	1.1
147.11644	1.1
149.05891	0.7
150.07686	1.2
155.06985	34.5
161.05951	2.8
163.05965	3.7
163.07317	0.8
163.11148	3.7
165.09106	0.7
167.07018	11.4
169.16060	0.8
173.05925	1.5
177.05357	1.1
179.07034	0.9
181.04939	3.0
183.10078	0.9
191.07031	1.7
212.09723	0.7
219.06424	1.8
221.08095	1.4
223.05997	3.1
233.08145	1.0
233.11670	1.1
233.15309	0.9
241.07054	4.0
251.09123	14.6
251.11909	0.9
251.12764	1.1
251.16391	3.0
256.74371	0.8
259.08032	4.8
269.10107	3.1
269.13736	1.6
277.09134	1.2
279.05841	0.7
281.10056	1.4
290.72385	0.9
295.10168	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37230	0.5
50.65284	0.5
51.97700	0.5
53.03938	0.9
55.05502	6.7
57.07067	35.1
59.73240	0.5
65.03932	8.6
65.89098	0.6
71.04938	0.7
73.71003	0.6
79.05432	0.6
81.07029	1.3
83.04963	86.4
91.05463	7.3
92.09335	2.3
93.07021	1.1
95.04940	2.4
98.98438	7.4
105.06998	4.2
107.04935	1.1
107.08568	1.2
115.05434	1.1
117.07012	1.0
119.08559	1.0
129.06934	1.3
131.08546	1.5
133.10071	0.9
141.06944	5.2
147.08029	2.9
147.11650	6.0
151.01520	13.4
159.08014	4.1
163.01497	7.6
166.59668	0.7
169.07581	1.1
175.01515	12.7
181.02609	1.2
187.01480	3.1
227.04640	5.2
239.04584	1.3
260.99200	3.3
269.37485	0.7
317.10175	1.1
337.02289	92.7
355.03116	0.8
363.90182	0.7
373.23740	0.7
393.08527	100.0
394.08911	0.9
408.04330	0.8
449.14774	40.7
450.15039	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	466.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
52.48788	1.1
53.03937	7.1
56.96561	1.4
57.03420	2.9
59.89204	1.1
61.02915	2.0
68.53226	1.3
69.03414	16.0
71.04610	1.5
71.04980	32.6
78.00860	1.3
81.03394	16.4
83.04943	2.3
84.04510	2.1
85.02884	24.1
86.03241	1.5
87.04431	1.4
89.06004	100.0
95.04892	1.6
97.02865	56.7
99.04417	13.0
105.06981	1.5
107.04896	1.6
109.02855	20.9
111.04436	1.6
115.03944	1.8
117.05466	1.5
121.02827	2.6
123.04382	1.8
123.44015	1.4
127.03878	20.9
135.06503	11.9
137.05916	5.9
145.04953	17.2
153.01797	32.9
175.11092	1.5
195.02866	2.0
213.12390	1.5
223.07539	8.5
241.09639	7.7
243.08617	6.4
261.09668	9.8
268.09613	2.9
273.02731	2.1
279.10526	1.9
377.08969	1.3
382.48047	1.3
387.10605	1.4
413.10474	3.2
431.11560	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	466.1551
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	5.7
55.01852	0.8
55.05494	0.4
56.96563	0.4
57.03419	2.0
61.02904	3.0
66.22149	0.4
69.03062	0.8
69.03408	11.6
71.04974	25.4
71.05373	0.8
73.02898	1.6
79.05491	0.5
81.03398	12.6
81.07041	0.5
83.04961	2.5
85.02884	13.3
87.04461	0.4
87.94187	0.4
89.06007	100.0
89.47976	0.4
91.05493	0.4
93.07026	0.6
95.04922	0.8
97.02861	48.9
99.00751	0.4
99.04433	6.6
105.06991	0.5
105.22717	0.4
105.23434	0.4
107.04927	0.4
109.02861	13.4
115.03902	0.4
119.04906	0.5
123.04440	0.8
127.03888	12.8
130.06519	0.5
135.06503	12.0
135.35521	0.4
136.06178	1.7
137.05922	0.4
139.03868	0.4
145.04932	12.1
147.04399	1.8
149.02322	2.2
151.03893	0.3
153.01787	3.1
167.06987	1.9
171.02849	1.5
177.01805	0.9
181.04962	0.5
195.02853	6.1
197.08066	0.8
197.65475	0.4
213.03915	0.8
215.03349	0.7
215.09062	0.8
217.07121	0.5
219.02823	0.7
225.18892	0.4
231.06462	1.0
233.10085	0.5
237.03941	0.6
243.02856	4.0
243.08624	2.4
259.05936	0.7
261.03824	4.1
261.09589	9.0
265.67712	0.4
269.13846	0.6
279.04904	0.6
279.10678	0.9
287.05374	1.0
413.10925	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3934
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14057	3.2
54.81602	4.0
55.05505	35.1
57.07066	8.2
60.03487	3.2
63.47858	4.3
67.05491	20.1
69.07064	44.3
71.08640	4.5
73.86948	4.1
79.05472	6.6
81.07039	42.0
83.08608	30.1
91.05466	5.3
93.07030	15.8
95.04915	5.0
95.08603	34.8
95.21436	4.1
97.10145	33.7
105.07007	17.8
107.08559	9.5
109.06500	5.7
109.10140	26.8
111.08093	4.9
111.11629	4.3
112.87154	3.8
119.08551	25.1
121.10117	16.1
123.04398	6.1
123.07999	5.8
123.11753	5.4
135.11667	5.0
137.06026	4.1
137.09579	24.4
139.07524	26.3
151.07582	4.5
151.11197	7.7
159.11653	6.4
165.09047	32.0
193.15822	4.8
440.97675	4.8
447.37973	17.6
465.28519	5.5
465.33725	7.1
465.39368	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3336
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.8
57.77162	1.2
67.05499	6.1
69.07049	3.7
79.05482	3.2
81.07024	12.6
85.06557	2.2
90.87492	1.6
91.05463	6.9
93.07005	14.1
95.04963	2.7
95.08583	7.9
102.15949	1.7
105.07021	7.5
107.08575	7.6
109.10143	2.8
119.08572	7.6
121.10123	6.2
123.11713	1.8
131.08534	5.8
133.10110	7.3
135.11694	2.2
143.08562	1.8
145.10066	2.5
147.11732	5.5
147.39218	1.5
159.11717	2.9
173.13295	2.2
378.28049	1.8
440.88553	1.7
465.33270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.27230	5.1
55.05494	10.4
58.51741	5.6
64.08301	5.3
67.05487	35.5
69.07051	23.6
71.08642	5.1
79.05473	33.9
81.07043	100.0
85.06533	12.9
91.05458	25.7
92.09053	33.1
93.07018	82.9
93.11345	5.9
95.08580	72.1
96.13033	5.6
97.10184	8.5
105.07029	56.7
107.08570	77.4
109.10152	26.5
119.08544	61.0
121.10122	43.7
123.11703	10.4
131.08511	14.3
133.10095	41.7
135.11678	30.7
145.10112	26.8
147.11664	34.7
148.55617	6.1
149.13185	19.4
157.10074	12.4
159.11696	36.9
161.13213	11.2
163.14774	10.2
173.13211	7.2
175.14610	8.6
201.16446	10.5
227.17926	7.4
465.37164	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2845
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	2.4
53.03924	4.0
55.01864	7.4
55.05503	44.8
56.18026	1.6
57.03428	33.6
57.07067	2.0
59.16050	1.5
65.03925	3.4
67.05147	3.8
67.05492	99.7
67.05849	4.0
69.03424	4.6
69.07056	24.4
71.04976	11.6
79.05474	88.8
81.03397	68.2
81.07038	69.5
83.04961	31.0
83.08607	22.8
83.61053	1.9
85.02894	31.0
85.06523	7.6
87.82644	1.8
90.95078	1.8
91.05458	73.1
93.07021	89.2
95.04947	47.4
95.08585	30.7
97.02859	2.4
97.06496	15.5
97.10150	16.9
99.08087	2.2
105.07017	45.1
107.04929	18.4
107.08575	44.6
109.06518	14.0
109.10130	8.8
111.04363	1.8
111.08071	8.4
112.08053	2.3
113.05981	1.9
117.07001	17.4
119.08560	30.9
121.06463	7.6
121.10092	18.7
123.08010	3.2
123.11663	1.8
125.09604	3.6
129.06961	14.2
129.29279	1.7
131.08574	13.5
133.06499	2.4
133.10141	16.7
135.08041	4.5
135.11674	44.9
137.09615	3.9
142.07785	4.3
143.08572	2.5
145.10085	17.5
147.08026	2.9
147.11694	10.8
147.57353	2.4
149.09589	8.7
151.07518	3.4
157.10176	13.2
163.11183	7.0
165.10461	2.2
165.12761	2.0
169.10069	2.1
175.11165	10.5
181.12224	4.0
193.12233	32.1
211.13219	25.2
255.15826	25.3
267.15927	17.7
329.20938	2.8
355.22433	2.9
373.23877	3.5
403.24979	3.6
421.25912	3.6
447.27310	37.0
463.64645	1.9
465.28400	100.0
465.35028	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	465.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68018	0.5
53.00289	0.7
53.03944	1.0
55.01862	1.2
55.05500	4.9
57.03425	2.6
61.02911	2.4
65.03923	0.8
67.01871	0.6
67.05489	17.0
68.99757	0.7
69.03415	9.0
69.07057	3.7
71.04978	3.5
73.02897	8.4
74.79863	0.6
79.05475	6.4
81.03406	4.0
81.07034	24.0
83.04939	1.3
83.08587	1.4
85.02885	18.9
85.03365	1.0
85.06527	4.2
86.09689	3.8
87.04443	8.1
89.03931	0.7
91.05451	6.0
93.07019	7.7
94.02048	0.6
95.04959	1.3
95.08585	21.3
97.02880	4.7
97.06509	1.3
97.10171	1.2
98.97582	0.6
99.04424	1.2
99.08063	1.3
101.06017	1.4
105.07027	5.0
107.04964	1.3
107.08565	7.4
108.08900	0.6
109.02877	3.2
109.10134	12.6
110.91980	0.6
111.00776	1.2
115.03937	3.2
117.03374	3.7
119.08564	5.4
119.09272	0.6
120.08076	3.7
121.02849	1.4
121.08370	0.7
121.10094	10.2
123.04438	1.0
123.08073	0.7
123.11700	4.0
125.09623	2.3
127.03895	3.0
131.08522	0.9
133.10112	6.1
135.04401	1.1
135.11676	3.9
137.02321	4.2
137.05968	1.2
137.13246	1.0
139.03925	0.8
139.11179	1.2
141.05449	0.7
142.73782	0.7
145.02834	10.5
145.05009	0.8
145.10062	0.6
147.04405	0.8
147.11665	4.0
149.05991	1.4
149.09560	0.9
149.13251	2.6
151.03870	1.4
151.07526	0.9
153.01805	34.4
153.05446	1.0
154.02113	0.9
161.05925	1.1
161.13185	0.6
163.03920	3.2
165.01862	3.4
167.03380	1.2
171.02850	5.3
171.11626	0.9
173.13313	0.6
177.05424	13.2
177.16400	0.9
179.03365	3.2
179.10738	0.8
183.02856	0.6
183.04333	0.8
187.03958	0.7
189.05501	0.9
201.05458	2.7
203.17920	7.1
213.16533	1.0
219.46933	0.7
221.18996	2.9
229.04985	7.4
231.17403	0.7
233.16383	0.8
239.20020	2.7
241.72498	0.6
242.19562	0.6
247.06094	1.0
257.04385	5.1
265.96405	0.6
267.19498	7.3
285.03857	2.2
285.20523	7.6
287.05475	0.9
303.04944	100.0
303.08563	22.3
304.05316	7.9
304.08463	1.1
465.10284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.2693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68018	0.5
53.00289	0.7
53.03944	1.0
55.01862	1.2
55.05500	4.9
57.03425	2.6
61.02911	2.4
65.03923	0.8
67.01871	0.6
67.05489	17.0
68.99757	0.7
69.03415	9.0
69.07057	3.7
71.04978	3.5
73.02897	8.4
74.79863	0.6
79.05475	6.4
81.03406	4.0
81.07034	24.0
83.04939	1.3
83.08587	1.4
85.02885	18.9
85.03365	1.0
85.06527	4.2
86.09689	3.8
87.04443	8.1
89.03931	0.7
91.05451	6.0
93.07019	7.7
94.02048	0.6
95.04959	1.3
95.08585	21.3
97.02880	4.7
97.06509	1.3
97.10171	1.2
98.97582	0.6
99.04424	1.2
99.08063	1.3
101.06017	1.4
105.07027	5.0
107.04964	1.3
107.08565	7.4
108.08900	0.6
109.02877	3.2
109.10134	12.6
110.91980	0.6
111.00776	1.2
115.03937	3.2
117.03374	3.7
119.08564	5.4
119.09272	0.6
120.08076	3.7
121.02849	1.4
121.08370	0.7
121.10094	10.2
123.04438	1.0
123.08073	0.7
123.11700	4.0
125.09623	2.3
127.03895	3.0
131.08522	0.9
133.10112	6.1
135.04401	1.1
135.11676	3.9
137.02321	4.2
137.05968	1.2
137.13246	1.0
139.03925	0.8
139.11179	1.2
141.05449	0.7
142.73782	0.7
145.02834	10.5
145.05009	0.8
145.10062	0.6
147.04405	0.8
147.11665	4.0
149.05991	1.4
149.09560	0.9
149.13251	2.6
151.03870	1.4
151.07526	0.9
153.01805	34.4
153.05446	1.0
154.02113	0.9
161.05925	1.1
161.13185	0.6
163.03920	3.2
165.01862	3.4
167.03380	1.2
171.02850	5.3
171.11626	0.9
173.13313	0.6
177.05424	13.2
177.16400	0.9
179.03365	3.2
179.10738	0.8
183.02856	0.6
183.04333	0.8
187.03958	0.7
189.05501	0.9
201.05458	2.7
203.17920	7.1
213.16533	1.0
219.46933	0.7
221.18996	2.9
229.04985	7.4
231.17403	0.7
233.16383	0.8
239.20020	2.7
241.72498	0.6
242.19562	0.6
247.06094	1.0
257.04385	5.1
265.96405	0.6
267.19498	7.3
285.03857	2.2
285.20523	7.6
287.05475	0.9
303.04944	100.0
303.08563	22.3
304.05316	7.9
304.08463	1.1
465.10284	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97145	0.1
51.84567	0.1
53.03926	0.4
55.01857	0.5
57.03412	0.1
59.30651	0.1
64.33291	0.1
65.03924	2.2
66.04722	0.1
67.01840	0.2
67.05479	0.4
69.03407	0.8
73.53451	0.1
79.05469	2.5
81.03402	0.1
81.07037	1.1
82.04133	0.1
83.04922	0.1
85.02890	1.0
91.05459	2.1
92.08654	0.1
93.03376	5.6
93.07013	0.8
94.04160	2.1
94.07345	0.1
95.04925	0.5
97.02856	0.1
97.06496	1.0
100.11191	0.1
103.05436	0.5
107.04936	0.3
109.06494	0.1
110.03632	0.1
111.04420	1.3
113.02308	0.1
119.04895	0.1
121.02837	5.9
125.05965	3.8
131.04883	1.8
137.05923	0.7
139.03879	0.3
151.07501	0.7
153.05437	100.0
154.05751	0.3
163.07478	0.6
165.58534	0.1
167.06960	0.1
171.58507	0.1
179.06955	0.1
303.12192	15.0
382.19034	0.1
464.32550	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30553	0.2
52.50270	0.2
53.03940	0.6
53.56941	0.2
55.01855	1.6
55.05500	2.3
57.03426	1.9
57.07062	0.3
61.02905	0.4
65.03922	2.1
67.05145	0.4
67.05488	9.8
69.03406	3.9
69.07044	3.1
71.04968	4.1
73.02895	3.4
73.06522	0.3
76.71201	0.2
79.05475	5.9
81.03406	0.5
81.07037	17.4
82.14951	0.2
83.04952	1.5
83.08611	2.0
85.02417	0.4
85.02887	7.5
85.06522	2.2
86.09662	0.5
87.04453	2.4
91.05455	5.5
92.08698	0.5
93.03384	5.7
93.07027	5.4
94.04168	2.5
95.04935	0.6
95.08001	0.5
95.08581	10.4
97.02857	1.3
97.06492	2.1
97.10159	0.3
99.04404	0.5
99.08041	0.4
101.05983	1.3
103.05438	1.4
105.07010	4.3
107.04943	1.8
107.08568	3.6
107.88720	0.3
109.06483	1.0
109.10126	5.2
111.04422	1.4
111.08044	0.4
115.03906	1.0
118.03043	0.3
119.08550	3.9
120.08083	1.0
120.54563	0.2
121.02838	3.8
121.06478	0.4
121.10130	6.8
121.82899	0.3
123.04379	1.0
123.08067	0.3
123.11683	3.5
125.05946	4.4
125.09592	0.6
127.03857	0.5
128.06041	0.3
131.04890	3.5
131.08501	0.4
133.10133	2.5
135.07974	0.3
135.11650	1.2
137.02299	0.5
137.05939	1.4
137.13214	1.0
138.05464	0.3
139.03914	0.4
139.11200	0.5
147.11673	5.2
149.13184	0.5
151.07494	1.1
153.05440	100.0
154.05818	0.4
157.10101	0.4
161.05971	0.5
161.13200	1.2
163.07521	1.8
165.05394	1.3
165.12701	1.8
167.06984	0.3
171.13873	0.2
177.05424	0.5
177.16327	0.4
178.73427	0.3
183.02960	0.3
195.06396	0.4
195.27289	0.3
201.05324	0.3
203.17924	2.4
206.19675	0.3
221.18956	0.6
225.14664	0.3
229.04939	0.4
229.14261	0.3
231.17371	0.5
239.19952	1.4
249.18452	0.9
257.04630	0.3
267.15930	2.6
267.19434	3.1
267.22205	0.4
285.16919	6.0
285.20532	4.8
297.09653	0.4
302.62531	0.3
303.04935	14.9
303.12177	6.3
303.21625	0.4
317.06561	0.5
318.07053	0.3
319.06992	1.4
343.01813	0.3
457.37579	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1729
Annotation	Unknow
Peak:m/z	Relative Intensity
50.84856	0.6
53.03939	0.7
53.91082	0.5
57.03421	1.2
58.94096	0.6
61.02916	1.1
67.05465	1.1
69.03407	4.5
69.07045	1.0
70.06557	1.3
79.05475	1.5
81.03427	1.3
85.02897	11.2
86.09686	0.8
91.05457	1.4
95.04976	1.3
95.08566	0.9
97.02866	1.7
97.06522	1.6
98.97533	1.2
103.05453	1.3
105.07015	10.6
106.07327	1.3
107.04942	22.5
107.08566	1.1
109.02866	0.8
110.06019	2.8
116.98666	0.8
120.04440	3.0
121.06456	0.7
122.05991	1.7
123.04416	2.9
124.07561	1.4
125.09614	0.7
127.03870	0.7
133.06450	0.9
135.08047	7.2
137.05904	1.0
140.07053	3.1
141.07825	1.4
142.08618	7.7
147.04427	0.8
151.03896	3.1
153.05415	0.8
162.05469	35.9
163.03848	0.7
163.07510	13.5
165.09042	0.9
167.07007	41.4
169.04889	0.9
175.07477	1.0
185.04231	3.4
195.10118	10.7
198.31552	0.7
213.11189	11.1
233.40147	0.9
249.14464	0.8
261.12442	2.6
285.90802	0.9
286.10440	0.8
287.14822	10.9
303.11841	62.3
405.17639	1.1
465.17218	100.0
466.17310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1711
Annotation	Unknow
Peak:m/z	Relative Intensity
50.36136	0.4
52.08922	0.3
53.03937	0.5
54.60097	0.3
55.01862	0.4
55.05524	1.5
57.03427	13.6
59.04992	1.0
61.02913	0.9
61.24893	0.4
63.84628	0.3
67.05501	0.8
69.03423	2.1
70.06564	0.9
70.97397	0.4
71.04977	94.3
72.05312	0.5
72.08144	2.1
73.02891	2.5
75.04460	3.3
79.05459	1.0
81.03383	0.8
81.07050	0.5
83.04964	6.1
83.87236	0.4
85.02888	100.0
87.04451	2.1
89.05971	0.4
91.05408	0.5
92.09306	0.5
93.07037	0.7
95.04938	0.9
95.08615	0.7
97.02858	1.8
97.06496	1.6
99.04422	0.6
105.07007	0.9
107.04913	0.8
111.04410	2.7
119.04908	1.0
119.08577	0.6
120.08040	2.7
121.06478	0.7
123.03111	1.0
123.04442	0.8
127.03886	0.9
129.05449	27.5
133.10115	0.9
135.04384	0.5
140.03378	2.5
145.04939	0.6
147.04361	1.0
147.06499	12.7
163.03893	0.5
164.09145	5.8
166.10948	0.4
190.81894	0.4
192.17613	0.4
224.23207	0.5
234.98856	0.7
249.14679	0.5
267.12115	0.6
303.04761	0.9
337.89267	0.4
370.42007	0.4
415.86810	0.4
465.16479	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.118
Annotation	Hydnocarpin
Peak:m/z	Relative Intensity
53.61810	1.0
55.05496	2.3
58.22033	1.2
67.05490	6.2
69.07065	1.5
79.05469	2.9
81.07046	6.8
86.09631	1.4
91.05453	6.4
93.07033	2.8
95.04927	2.6
95.08567	2.5
105.07015	2.4
107.08549	2.8
109.10178	1.8
115.62823	1.4
119.04928	1.7
119.08541	2.2
123.11694	1.4
129.09085	1.2
130.04161	1.7
135.04367	1.7
135.11624	1.5
136.05252	1.7
137.06003	4.0
145.10117	1.5
146.03653	5.4
147.04448	5.2
148.05153	5.9
151.07530	1.9
153.01857	8.4
161.05919	5.5
203.03363	5.2
212.67453	1.3
229.04999	8.5
242.05682	23.9
253.04939	4.8
257.04385	77.5
258.05179	30.7
269.04425	5.3
270.05276	2.3
285.03967	11.5
286.04666	47.1
287.05423	24.3
297.04047	6.5
303.04874	2.3
327.05054	1.6
341.06689	2.3
425.27527	1.4
432.08145	2.7
435.10876	5.5
447.10532	21.8
465.11731	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1025
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03928	0.4
53.34548	0.2
55.01850	0.7
55.05497	0.8
57.03429	2.9
57.79987	0.3
59.04974	0.4
61.02905	0.7
61.66742	0.3
67.05484	1.5
68.99773	0.6
69.03412	6.6
69.07041	0.4
71.04971	1.7
73.02899	15.4
74.48797	0.4
77.67850	0.3
79.05473	0.8
81.03391	1.4
81.07036	2.7
83.04961	0.8
85.02890	11.7
85.06512	0.4
86.09692	0.5
87.04459	4.9
91.05468	1.5
92.09174	0.4
93.07025	2.7
95.04947	1.5
95.08579	2.2
96.91467	0.3
97.02877	4.9
97.06525	0.4
99.04433	1.5
105.07005	0.8
107.04929	0.4
107.08573	2.8
109.02889	0.6
109.10139	1.8
111.00768	0.6
111.04352	0.4
111.08034	0.3
113.49833	0.3
115.03909	2.0
119.08566	1.9
120.08927	1.3
121.02877	0.7
121.10128	1.3
123.04388	0.7
123.11706	0.7
127.03871	1.6
131.08499	0.3
133.02815	1.9
133.04930	3.2
133.06520	0.4
133.10106	0.6
135.11646	2.2
137.02309	3.7
137.05936	0.4
145.04890	0.7
145.10052	0.6
147.04402	0.4
151.03860	3.4
153.01801	24.2
153.05470	1.3
153.12711	1.5
163.03888	0.7
163.11211	0.5
165.01823	1.9
173.05988	0.5
177.05472	0.4
178.04926	0.7
183.02905	0.6
187.20184	0.4
195.84108	0.3
201.05438	1.3
229.04836	4.0
247.05847	0.5
249.14832	1.3
257.04391	2.5
267.15805	1.5
267.19348	0.6
285.03848	0.5
285.12152	2.2
297.16718	0.4
303.04938	100.0
304.05267	0.8
319.04492	0.5
465.10339	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1026
Annotation	Myricitrin
Peak:m/z	Relative Intensity
53.03941	0.4
54.55405	0.3
55.01859	1.3
55.05491	1.4
57.03429	7.9
58.66681	0.3
59.04969	0.5
61.02889	0.6
65.03915	0.4
66.26888	0.3
67.05481	0.8
68.99763	2.2
69.03415	6.5
69.07047	0.7
70.03732	0.6
71.01326	0.5
71.04974	40.6
73.02890	2.0
75.04464	1.2
79.05462	1.4
79.70628	0.3
81.03393	0.4
81.07031	0.7
83.04955	1.5
85.02890	40.7
86.03199	0.4
86.09680	0.6
87.03970	0.5
87.04449	3.7
89.20119	0.3
91.05473	0.4
93.07009	2.1
95.04980	0.4
95.08569	1.8
95.81306	0.3
97.02874	4.6
97.06498	1.6
99.04423	0.6
103.03860	0.4
103.11840	0.3
105.06983	1.6
107.04937	0.6
107.08565	2.0
109.06524	0.4
111.00754	2.3
111.04413	1.6
115.03928	3.5
119.08597	2.5
120.08060	0.4
121.02881	3.6
121.06473	9.0
121.10104	1.8
122.06833	1.3
123.08057	0.5
125.02306	2.4
126.03112	1.3
127.03862	1.7
129.05473	4.7
131.08545	0.7
133.04938	2.3
135.11639	1.4
137.02309	3.7
139.03905	0.6
143.08528	0.4
143.94063	0.3
144.75186	0.3
145.04959	0.6
145.10167	0.4
147.04449	0.5
147.06494	0.6
147.11604	0.5
149.05830	0.4
149.09645	0.4
151.03920	0.7
153.01805	17.8
153.05383	3.0
153.12711	2.2
163.11230	0.4
165.01807	8.4
166.02594	0.4
167.10629	0.4
169.01259	1.6
171.13820	0.5
173.09517	0.4
173.13188	0.5
175.03903	0.5
177.05473	2.3
179.03358	5.7
181.01245	0.7
183.02837	1.7
189.05504	0.6
192.04111	0.5
195.02866	5.2
199.03897	0.4
201.12645	0.5
203.03366	2.2
207.02885	4.1
217.04910	1.7
219.13661	0.5
221.04395	0.8
224.88351	0.4
227.03314	0.6
229.04951	0.6
231.13750	0.6
232.03629	2.0
235.02402	0.5
245.04362	8.0
249.03966	0.6
249.14938	0.5
255.02768	1.8
267.15738	0.5
272.11581	0.4
273.03873	12.5
283.02328	1.4
290.04105	3.1
301.03378	4.1
303.04965	11.5
303.08356	1.0
319.04419	100.0
320.04691	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1021
Annotation	Quercetin-3-O-beta-D-galactoside
Peak:m/z	Relative Intensity
53.03939	0.4
55.01857	1.2
57.03415	1.4
61.02905	2.3
64.32883	0.3
65.23322	0.2
68.99773	0.6
69.03408	5.0
70.42030	0.3
71.04955	0.5
73.02888	0.5
80.27697	0.2
81.03408	2.2
85.02888	12.5
87.04448	0.4
87.97804	0.3
93.03417	0.5
95.04929	0.3
97.02880	4.5
99.04388	0.4
109.02850	2.1
111.00777	1.5
121.02826	1.6
123.04411	0.6
127.03871	1.6
137.02315	6.9
145.04915	0.5
149.02203	0.4
153.01791	6.7
161.05977	0.3
163.03848	1.2
165.01817	3.4
173.05943	0.4
179.03337	0.3
183.02838	1.3
201.05453	3.0
201.23192	0.3
205.05037	0.4
216.52110	0.3
219.06497	0.4
229.04897	7.7
247.05989	1.5
257.04370	4.7
274.04642	1.3
285.03836	2.1
303.04910	100.0
304.05325	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.4
54.81493	0.3
57.03424	1.0
61.02916	11.1
68.99766	1.0
69.03404	1.3
71.04983	2.8
72.49790	0.3
73.02904	2.3
79.70090	0.2
81.03398	1.0
85.02415	0.5
85.02890	8.5
87.04473	0.3
91.03931	3.8
93.03364	0.3
97.02876	3.7
109.02857	0.7
111.00785	0.6
115.03877	0.3
121.02878	2.0
127.03889	1.6
137.02319	6.7
145.04880	0.3
149.02312	0.3
153.01817	9.0
158.37547	0.4
163.03909	0.6
165.01825	4.7
173.05992	0.3
179.03392	0.4
179.96368	0.3
183.02905	1.6
183.04404	0.4
187.03876	0.5
187.92528	0.3
195.02910	0.4
201.05431	3.0
219.02812	0.3
229.04904	6.1
245.04396	0.6
247.06026	1.1
257.04349	4.2
273.03806	0.3
274.04642	1.4
274.07333	0.3
285.03870	1.8
303.04938	100.0
304.05222	0.5
319.04456	7.7
352.18658	0.3
360.50647	0.3
435.30807	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	465.1029
Annotation	SCHEMBL1155662
Peak:m/z	Relative Intensity
53.03930	0.5
55.01867	0.6
55.05493	2.2
57.03425	2.9
58.83986	0.3
61.02913	1.5
65.03904	0.4
67.05151	0.5
67.05492	11.9
68.99773	0.7
69.03413	8.2
69.07036	2.4
69.39703	0.4
71.04971	2.8
73.02896	10.8
73.36871	0.4
79.05476	4.9
81.03395	2.7
81.07034	12.9
83.04953	2.1
83.08585	1.9
85.02889	15.0
85.06507	1.8
86.09224	0.4
86.09693	5.9
87.04443	4.8
87.09998	0.5
91.05454	4.2
92.08689	0.6
93.03388	0.8
93.07024	4.7
95.04916	1.9
95.08580	12.9
97.02859	3.8
97.06517	1.4
97.10143	0.5
99.04419	1.8
99.08077	0.8
101.05980	1.8
105.07005	2.7
107.08566	4.7
109.02834	1.9
109.10139	8.2
111.00776	0.9
111.08041	0.4
115.03904	1.8
119.08549	3.4
120.08082	5.7
121.02805	2.0
121.08403	2.8
121.10105	6.1
123.04412	1.4
123.11685	3.5
124.75188	0.4
125.09644	0.6
127.03863	2.5
129.05399	0.6
131.08464	0.4
133.10112	4.0
135.11641	2.4
137.02307	5.9
137.13281	0.6
139.11136	0.4
145.05011	0.7
145.10103	0.8
147.11659	2.8
149.13252	0.9
153.01807	7.8
153.05463	0.8
161.09528	0.5
161.13261	0.8
163.03889	0.6
165.01767	3.3
173.06010	0.6
176.36673	0.5
177.16260	1.5
179.03348	0.4
182.60269	0.4
183.02907	1.6
195.02806	0.5
201.05499	2.7
203.17899	4.5
221.18987	1.0
229.04909	6.5
231.17407	1.4
233.16412	0.6
234.16785	0.9
239.19949	0.9
245.04410	0.4
246.05258	0.6
247.05910	1.5
249.18442	0.6
257.04462	4.6
259.12003	0.4
267.19485	5.3
274.04782	1.6
285.03876	1.9
285.17282	0.5
285.20499	4.7
297.95197	0.4
302.04089	1.8
303.04926	100.0
303.21625	0.6
304.05328	0.6
317.28720	0.5
345.06058	0.8
465.10095	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.8
53.03940	1.1
53.64380	0.4
55.01866	2.3
55.05502	1.3
57.03135	1.0
57.03423	27.1
59.04987	4.0
61.02901	3.4
67.05479	4.8
68.99760	1.3
69.03413	53.7
69.07059	4.1
71.01346	1.0
71.04974	55.6
73.02892	3.1
75.04452	5.3
76.91943	0.5
79.05473	3.9
81.03397	3.6
81.07033	5.5
83.04961	3.7
85.02885	82.1
85.06522	1.0
86.09692	0.7
87.04444	30.8
91.05453	6.6
93.07014	19.2
95.04938	8.5
95.08575	7.6
97.02866	43.2
97.06509	6.2
99.04423	2.6
105.06999	10.1
105.61088	0.5
107.04890	0.7
107.08575	6.7
109.02869	3.7
109.06504	3.0
109.10128	1.1
110.17986	0.6
111.00749	3.2
111.04415	8.3
111.08053	1.4
113.05979	7.0
114.36420	0.7
115.03903	30.5
117.06957	1.1
119.08553	50.4
120.08077	2.6
121.02840	28.1
121.06474	71.8
121.10107	32.9
123.04410	1.0
123.08023	7.3
125.02331	1.4
126.03123	0.9
126.68375	0.6
127.03872	5.6
128.06172	0.8
129.05464	7.3
131.04951	0.6
131.08540	8.4
133.03944	1.1
133.04935	27.2
133.10124	4.3
135.08049	1.1
135.11667	0.8
137.02351	4.5
137.09576	1.3
139.03876	1.0
139.07503	1.2
139.11211	1.1
143.07487	0.6
143.08542	3.7
145.04951	3.3
145.06404	0.6
145.10056	5.5
147.04419	0.7
147.06540	0.9
147.08047	1.0
147.11717	1.0
149.05952	1.1
149.09587	15.2
151.11179	0.7
153.01796	21.7
153.02968	1.1
153.05437	27.1
157.10144	1.4
158.10835	1.4
159.08003	12.0
159.11659	8.3
161.09586	2.6
163.07547	1.3
165.01802	10.0
165.09135	1.0
167.10635	21.8
169.01262	0.8
169.05058	0.7
170.10956	0.8
171.07994	1.0
171.11662	2.2
173.09584	0.9
173.13206	14.3
175.14778	0.7
177.05486	0.8
177.09019	1.2
179.03395	5.3
180.09407	0.6
183.02885	0.9
185.13220	1.4
189.09134	0.7
193.04893	0.8
195.02861	6.6
195.11723	0.9
201.12715	13.3
203.03444	2.9
207.02866	5.3
213.12697	1.1
217.04974	1.4
219.13731	8.3
221.04373	1.1
229.05051	0.7
231.02856	0.8
231.13754	11.3
232.03624	1.0
237.14763	14.5
245.04388	10.5
249.11108	0.8
249.11969	0.7
249.14732	10.4
255.02882	1.2
259.08121	0.8
263.05585	0.7
267.12485	0.9
267.15851	7.8
273.03836	14.7
283.02539	1.1
290.04074	3.7
291.04623	0.7
301.03311	4.2
303.04956	12.8
319.04404	100.0
396.05582	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2491
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45859	1.3
53.03927	1.8
55.01869	3.5
55.05510	3.4
57.03423	7.7
67.05486	12.5
69.03413	18.3
69.07045	8.7
71.04967	18.0
72.05300	2.7
79.05461	12.4
81.03411	1.7
81.07032	23.1
83.04981	6.9
83.08610	2.8
85.02885	28.5
85.06522	2.6
86.03208	2.9
86.09683	2.0
87.04442	9.3
91.05444	18.5
93.07021	100.0
95.04940	7.7
95.08582	21.3
97.02869	14.9
97.06503	6.3
99.04456	2.9
105.07012	17.1
107.04932	3.7
107.08574	66.2
109.06502	15.6
109.10141	9.9
111.04391	2.6
111.08080	21.1
115.03907	7.1
117.03345	2.1
119.08567	18.2
121.06458	12.5
121.10113	22.3
123.04388	2.7
123.07971	3.1
123.11721	6.4
131.04909	8.0
131.08569	4.0
133.04951	9.4
133.10120	11.8
135.04367	3.5
135.08087	3.4
135.11676	64.8
137.02362	2.0
137.05981	2.9
145.02841	6.5
145.06491	6.6
145.10060	4.1
147.08002	3.6
147.11673	25.9
149.09633	3.4
149.13228	2.3
153.01790	15.8
153.05431	3.0
156.38823	1.6
157.08569	7.5
157.10001	2.5
159.11656	2.6
161.05971	6.8
163.14758	2.1
165.12701	7.6
175.07515	3.4
175.11145	3.7
175.14796	8.2
177.05428	7.7
179.03354	2.0
185.13197	3.8
187.14784	2.2
193.12186	7.4
203.14264	7.5
213.12529	2.7
231.13725	9.3
239.10704	8.6
249.14810	25.8
267.10092	28.3
267.15833	50.9
267.18857	2.9
267.19437	2.2
285.16861	1.8
303.05072	1.8
303.08514	10.6
307.91031	1.8
317.06546	18.5
318.06830	43.4
463.32089	3.3
464.32913	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	464.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
50.26907	0.6
53.03940	0.7
55.05494	1.7
57.03415	1.2
57.07054	0.9
59.99290	0.6
61.02914	1.0
67.05481	7.4
69.03417	7.3
69.07037	1.3
71.04974	8.2
75.01563	0.6
79.05473	3.2
81.03402	0.8
81.07043	7.7
83.04957	1.7
85.02895	12.0
85.03384	1.1
85.06525	1.2
91.05449	7.7
93.07021	28.4
95.04950	13.0
95.08572	8.8
97.02868	4.3
97.06490	2.9
99.04398	0.8
102.82050	0.7
105.07018	14.6
107.04928	1.5
107.08589	10.1
109.02895	1.1
109.06519	1.4
109.10136	2.7
111.04429	11.1
111.08064	1.8
113.05997	14.6
115.03937	0.7
117.07056	1.3
119.08558	100.0
121.06494	7.2
121.10120	42.8
123.08059	10.1
125.09666	0.9
126.51057	0.8
127.03922	1.6
129.05495	2.8
129.06902	0.7
131.04893	0.9
131.08540	16.2
133.06439	1.0
133.10112	8.5
135.04466	0.9
135.08083	2.9
137.05956	1.2
137.09621	1.8
139.07526	3.9
139.11166	1.0
143.08556	3.1
143.85368	0.9
144.09387	1.0
145.06494	1.5
145.10101	9.3
147.08015	1.2
147.11725	1.5
149.05945	3.0
149.09602	18.8
151.07536	0.9
156.09402	1.1
157.10085	3.0
158.10907	2.9
159.08017	21.7
159.11652	14.6
161.09586	4.1
163.07513	4.3
165.09074	0.8
167.10643	27.2
171.11638	1.3
172.08839	1.5
173.09616	4.4
173.13223	35.8
175.14799	1.2
176.57788	0.8
177.09084	3.2
180.09163	0.7
181.08528	1.5
183.11652	2.9
185.13225	2.7
191.14388	1.0
201.12715	27.6
213.12688	3.2
219.13754	17.4
231.13799	10.7
237.14803	42.5
249.14751	12.0
267.12708	1.1
267.15848	9.7
303.04944	1.7
311.09882	0.9
450.05676	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.51148	0.9
53.03931	1.4
55.01852	1.4
55.05496	2.4
56.70480	1.0
57.03428	100.0
57.86710	1.0
60.04513	1.1
61.02907	1.8
64.75910	1.1
67.05483	6.8
69.03408	6.9
69.07055	2.6
70.06570	3.0
71.04977	6.4
74.71503	1.3
75.04476	2.2
79.05470	5.4
81.03397	9.1
81.07034	3.1
83.04947	1.2
83.08617	1.5
85.02877	17.3
85.06519	2.1
85.35805	1.3
86.09672	1.1
90.79890	1.1
91.05453	3.0
93.07026	8.9
93.16852	1.5
95.04939	8.4
95.08592	5.4
97.02859	5.3
97.06516	6.1
99.04445	1.9
105.07009	5.9
107.04922	2.1
107.08566	6.5
109.02880	1.8
109.06520	5.4
109.10097	1.3
111.04415	1.5
111.08045	2.0
113.69997	1.2
119.08576	2.8
120.08099	2.6
121.06497	2.1
121.10129	7.0
121.57688	1.2
123.04378	5.7
123.08067	2.6
125.05905	1.3
125.09620	1.4
125.85593	1.2
127.03920	1.9
131.07022	1.7
131.08525	1.6
133.10135	2.1
135.08008	5.2
137.05966	6.5
139.03864	3.0
139.07602	1.4
140.04654	1.8
144.74794	1.2
145.04900	2.3
145.10112	2.7
147.08002	2.1
147.11591	1.2
149.09578	2.7
151.11127	1.2
153.01810	1.3
153.05470	5.4
155.07066	2.2
157.10045	1.8
161.05907	2.1
163.11147	6.0
165.05464	4.1
167.03360	51.5
167.07010	2.0
167.10675	1.3
171.11626	2.0
175.11246	2.7
181.08614	4.9
189.12581	1.3
193.12268	2.9
196.07309	14.8
198.59586	1.2
207.10175	2.5
211.09619	76.2
211.53502	1.4
231.13731	1.8
232.54573	1.2
249.11432	1.6
249.14816	8.2
256.93805	1.3
267.03421	1.4
267.12250	2.1
267.15881	15.5
285.13303	55.7
285.16840	5.0
285.20221	1.7
286.04352	1.3
287.05197	1.6
301.07004	2.1
302.07410	5.1
303.04947	12.7
330.30603	1.7
333.06418	1.4
430.26868	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.2121
Annotation	Unknow
Peak:m/z	Relative Intensity
51.18628	0.9
53.03716	0.7
54.81192	0.9
55.01864	3.9
55.23507	0.8
57.03424	6.0
61.02914	1.4
69.03413	4.4
70.06582	0.9
71.04992	3.7
74.09704	4.3
75.04491	2.1
75.31599	1.0
79.05487	3.8
81.03407	2.4
81.07054	1.3
85.02894	15.0
91.05448	15.4
93.07021	1.8
95.04961	4.7
97.02866	4.1
97.06546	1.1
103.05447	4.2
105.03375	4.8
105.07016	27.8
106.04198	1.4
107.04941	11.7
109.02865	1.3
109.06512	6.0
111.04510	1.1
115.05445	5.5
117.07001	1.1
118.04173	1.8
119.04919	29.1
119.08547	1.2
121.06485	11.2
123.04408	14.4
123.08055	4.0
127.03934	1.4
130.69681	1.2
131.04922	1.5
131.08527	1.3
133.06465	27.9
134.03635	2.3
135.04411	5.8
136.05197	4.0
137.05988	4.2
139.03918	1.3
140.04654	10.3
143.06024	2.2
146.03615	2.4
147.04417	8.0
149.05960	20.2
151.07510	15.9
153.05446	73.4
161.05946	41.2
161.09668	1.4
163.03885	7.0
165.05551	1.4
167.06992	19.9
168.07787	100.0
175.11169	1.3
177.05507	4.1
177.08998	1.0
178.06264	11.1
179.06987	8.3
181.08525	2.4
181.98444	1.0
186.81566	1.1
191.06958	1.4
193.08577	48.1
193.10378	1.7
196.07286	80.8
209.08076	7.9
211.09627	72.0
249.11212	1.6
257.31052	1.5
267.12131	9.4
281.92303	1.3
285.13260	52.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	464.1915
Annotation	Unknow
Peak:m/z	Relative Intensity
51.31245	0.3
55.01852	0.7
55.05503	0.7
57.03418	0.9
58.20424	0.3
61.02903	0.4
65.03918	0.5
67.05488	0.9
69.03402	1.8
69.99458	0.4
71.04960	0.7
72.79704	0.4
79.05466	1.7
81.03387	0.9
81.07027	3.7
83.04937	0.4
83.08614	0.4
83.65929	0.4
85.02896	2.8
85.06534	0.8
86.68829	0.3
91.05434	3.4
92.09397	0.7
93.07013	2.8
94.83931	0.4
95.04939	2.1
95.08585	2.4
97.02881	0.4
97.10139	0.6
101.64011	0.4
103.05452	0.9
105.07001	2.8
107.04939	13.2
107.08574	3.2
109.06477	0.4
109.10149	0.7
111.04413	3.2
115.05437	4.5
117.06970	0.7
119.04916	0.8
119.08553	1.6
121.02841	30.3
121.03809	0.9
121.06486	11.2
121.10103	0.9
123.04407	0.4
123.11689	0.7
125.05967	0.5
130.04091	0.7
131.04901	37.7
133.06453	3.5
133.10129	0.7
135.04410	3.6
135.11655	1.7
137.05945	1.9
143.04926	1.7
143.06038	0.4
144.05698	4.9
145.06467	21.4
147.11644	0.7
149.05948	1.9
149.09491	0.4
149.13292	0.5
159.04372	2.8
161.05910	0.9
165.06888	0.9
167.72581	0.6
173.05969	0.6
174.06688	2.0
178.07719	2.6
179.08482	4.5
181.06400	2.8
189.06935	1.7
194.07175	0.8
195.08006	0.7
196.08812	3.9
197.09488	0.5
205.06432	0.7
206.07243	5.2
207.07999	8.0
207.09782	0.5
208.08858	3.1
209.05972	0.9
210.06773	0.5
211.07578	0.5
211.11113	3.0
217.29370	0.4
218.07249	3.5
221.05960	0.6
221.09583	1.9
223.07542	1.0
224.08289	10.3
225.08997	0.5
234.06673	5.6
235.07452	4.6
236.08273	4.1
237.09142	0.4
239.10616	35.7
249.09015	3.2
249.18547	0.4
251.06990	0.7
252.07773	6.4
267.10104	100.0
267.15997	2.1
268.10452	0.9
426.76678	0.4
464.06787	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3779
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	51.9
57.07067	18.0
67.05486	53.6
69.07058	88.3
71.08598	17.4
79.05473	20.9
81.07036	97.1
83.08598	33.7
91.05446	33.3
92.09386	10.1
93.07030	63.1
95.04955	12.2
95.08581	100.0
103.02728	8.3
104.58942	9.4
105.07026	87.4
107.08576	76.0
109.10155	64.1
119.08589	60.9
121.10121	74.3
123.08046	12.8
123.11703	14.7
131.08571	42.6
133.10129	52.0
135.11671	18.4
137.13181	11.2
143.08492	9.3
145.10106	55.0
147.11673	37.1
147.62495	8.3
149.13200	15.0
157.10120	13.4
159.11656	34.7
161.13203	19.2
163.14862	14.6
165.09096	50.2
165.58716	8.2
173.13261	14.2
177.08978	9.6
178.49304	8.2
187.14812	12.5
191.10759	10.8
199.14857	15.4
201.16342	12.8
202.00153	9.2
355.12906	10.2
427.35419	17.2
445.36716	47.5
463.39297	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	463.3781
Annotation	alpha-Tocospiro B
Peak:m/z	Relative Intensity
55.05497	20.7
57.07076	39.9
57.70372	3.0
67.05482	5.6
68.10129	2.9
69.07067	31.8
71.08605	25.4
77.88905	3.7
79.05477	4.3
81.07037	28.2
83.08593	20.2
85.10159	14.0
91.04504	3.4
92.08624	6.6
93.07024	4.6
95.08595	19.5
97.10143	8.0
104.23267	3.5
105.06986	6.2
107.08592	5.5
109.06497	8.5
109.10139	5.9
123.08072	8.1
125.05959	14.1
127.07523	21.5
137.05969	5.4
139.07512	100.0
144.92401	3.5
151.07506	5.5
155.07005	3.6
161.13232	3.3
165.09024	5.1
175.27910	3.9
177.09068	8.5
225.04312	3.3
227.56299	3.9
245.38632	3.7
257.13229	3.8
335.97559	3.8
347.32837	4.6
417.37033	5.3
445.36798	32.4
463.37637	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	463.3777
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05503	9.8
56.17870	3.7
57.07068	38.0
58.98247	4.3
69.07050	29.0
71.08607	23.9
79.05466	5.1
81.07045	11.6
83.08595	24.5
85.10163	6.3
95.08584	22.0
97.10116	6.9
109.06523	10.0
109.10095	8.8
125.05980	9.7
127.07552	21.1
131.08527	6.4
139.07513	100.0
160.64229	4.9
177.09081	19.0
191.09869	5.0
212.34814	5.1
216.03546	4.4
393.76895	5.4
422.62534	6.2
445.36652	39.1
463.37769	64.1
485.87027	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	463.3778
Annotation	Irisoquin F
Peak:m/z	Relative Intensity
55.05505	17.4
55.21811	1.0
55.61032	1.0
56.06191	0.8
57.07064	11.6
67.05480	6.5
69.07052	52.7
71.08611	4.2
71.59174	1.1
79.05459	1.5
81.06582	1.3
81.07034	14.2
83.04942	1.0
83.08610	23.0
85.67989	0.9
91.05440	2.3
93.07035	9.8
95.04976	1.1
95.08580	13.4
97.10152	10.5
105.07047	3.7
105.85424	1.0
107.08576	9.6
109.10146	10.8
109.61111	1.1
111.11688	1.9
117.06928	1.1
119.08600	7.9
121.10114	5.9
123.08033	2.3
123.11682	2.5
131.08548	1.6
133.10095	6.9
135.08026	5.2
135.11635	4.1
137.09572	15.2
139.07512	1.9
144.49612	1.1
145.10104	4.5
149.09589	19.0
149.13271	1.6
157.10155	1.8
159.11642	2.2
161.09615	2.0
161.13156	1.5
163.11119	11.7
165.09074	100.0
173.09633	1.8
173.13184	4.2
174.10283	1.1
175.11154	6.5
176.08357	1.8
177.09093	9.1
177.12671	1.5
179.10603	1.9
186.10359	1.7
187.11205	1.9
187.14655	1.2
189.09035	5.0
190.09827	1.4
191.10635	10.5
203.10629	11.9
203.14297	1.8
205.12227	16.0
217.12292	1.7
219.13826	2.3
231.13760	1.5
247.17128	1.2
285.98953	1.3
301.21774	1.1
330.14346	1.3
345.27802	2.2
409.34167	1.1
427.35657	40.1
461.47781	1.4
463.31699	1.5
463.38388	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.3777
Annotation	Unknow
Peak:m/z	Relative Intensity
53.67434	1.6
55.05499	17.6
57.07064	2.5
60.32743	1.7
65.03580	2.0
67.05492	9.2
69.07053	24.9
79.05434	2.4
81.07030	15.4
83.08597	12.6
89.01475	2.2
91.05418	2.3
93.07015	4.9
95.08588	14.2
97.02990	2.1
97.10152	3.5
100.48962	2.0
107.08564	5.2
109.10124	12.0
119.08564	10.2
121.10117	8.4
131.08620	2.3
133.10159	2.2
133.15060	2.2
137.09605	14.0
145.10054	3.3
149.09563	10.5
151.52963	2.0
159.11626	2.6
161.13322	2.9
163.11163	10.4
165.09068	100.0
165.10492	3.7
177.09106	5.3
189.09126	3.1
191.10588	4.0
205.12216	3.3
219.13795	2.5
225.04288	2.5
248.86391	2.6
254.05350	2.3
427.35489	3.8
445.36728	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	463.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40361	1.2
55.05502	18.4
57.03436	1.5
57.07070	8.5
67.05492	25.1
69.06710	1.8
69.07057	24.2
71.08610	1.9
75.69371	1.2
79.05479	12.1
81.07036	65.2
82.14597	1.1
83.04968	4.8
83.08611	9.2
85.06541	1.7
90.94881	1.4
91.05456	9.5
92.09373	3.0
93.07018	20.7
95.04948	2.4
95.08582	47.6
97.10144	7.3
105.07028	8.1
107.08600	12.0
109.06509	5.8
109.10139	25.6
111.08047	1.2
111.11712	2.9
117.06995	2.1
119.08543	11.6
121.06505	2.3
121.10094	9.0
123.08056	7.7
123.11652	11.9
131.08557	5.1
133.10097	2.4
135.08029	5.0
135.11685	5.7
137.05959	21.2
137.09618	1.5
137.13205	5.0
139.07507	5.1
141.05470	1.4
143.08557	2.4
145.10112	5.6
147.08008	2.1
147.11674	2.3
149.05992	6.6
149.09608	2.1
149.13208	2.3
151.07524	44.7
151.14798	1.4
156.09364	1.1
157.10086	2.7
159.11679	2.7
161.05986	5.1
161.09613	4.8
161.13094	1.7
161.91685	1.1
165.05457	12.7
165.09076	17.2
166.09404	1.3
167.06995	100.0
171.11729	1.6
173.13127	1.2
175.07539	7.8
177.09093	2.9
179.07004	6.2
179.10667	3.0
181.08530	2.0
189.09041	10.8
189.12680	2.3
191.06905	2.5
193.08623	6.9
203.10643	6.8
205.08588	2.9
207.10210	7.8
217.12178	6.1
221.11731	2.6
223.15010	1.5
333.14926	1.9
381.27499	8.9
390.98859	1.5
427.31882	15.7
445.32935	36.4
463.30093	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.2911
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81344	0.5
55.05499	0.8
57.03419	0.5
66.68058	0.4
67.05479	0.9
69.03405	0.9
69.07044	1.8
71.04971	2.3
73.02893	0.5
76.17651	0.4
79.05462	1.0
81.03404	0.4
81.07034	3.9
85.02885	2.0
85.06545	0.5
86.09686	78.2
91.05441	1.6
93.07031	2.2
95.08575	4.2
103.05424	2.3
105.07018	2.1
107.05019	0.5
107.08582	1.5
109.10139	0.9
114.66013	0.4
119.08550	0.6
120.08076	100.0
121.10125	1.8
123.04357	0.8
123.11679	0.9
131.08490	0.4
133.10100	0.9
135.11638	0.7
137.05939	0.6
138.44307	0.4
199.18044	0.9
203.13875	13.5
233.16423	16.8
258.05209	0.8
261.15887	15.0
286.04709	2.8
301.07016	4.2
301.10727	2.0
302.04236	0.7
303.04987	0.6
317.06500	1.9
374.24344	2.8
462.65338	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.12595	0.6
53.03930	1.6
55.05515	1.1
56.44446	0.6
60.86021	0.6
64.32935	0.8
67.05491	1.6
75.66128	0.7
79.05468	6.8
81.07023	4.4
84.16948	0.7
91.05455	3.1
93.06998	1.0
95.04945	26.0
95.08582	0.9
95.15891	0.7
103.05448	1.0
107.04942	46.3
107.08579	1.2
109.10152	0.9
123.04405	34.1
125.06007	2.9
131.04901	3.6
132.05681	4.2
133.02861	1.1
135.04405	12.6
137.05960	37.6
147.04362	3.8
149.02328	0.8
150.06766	9.3
151.03853	1.5
151.07498	6.1
161.06003	1.3
165.09050	6.2
175.03906	5.7
179.03363	3.2
179.86116	0.9
185.59459	0.9
203.03369	100.0
207.02818	2.7
339.08749	0.9
357.09674	3.7
393.74017	0.8
463.13788	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	463.123
Annotation	6-Methoxykaempferol 3-rhamnoside
Peak:m/z	Relative Intensity
53.03931	0.2
54.24379	0.1
55.05503	0.7
57.03428	6.8
59.04989	0.3
65.03914	0.2
66.66881	0.2
68.99764	0.2
69.03423	0.2
69.07050	0.2
71.01324	0.3
71.04975	37.3
73.02899	1.0
75.04449	1.2
81.07047	0.3
83.04964	0.9
85.02888	32.5
86.09698	0.4
87.04462	1.0
92.02603	1.3
93.03395	1.2
95.08621	0.2
99.04417	0.2
111.00832	0.2
111.04404	0.3
116.34974	0.2
120.08092	0.3
121.02852	1.3
126.03071	0.3
129.05453	4.3
139.03880	1.3
147.06522	0.7
151.03908	1.0
153.00569	0.4
153.01801	10.8
163.03818	0.2
165.01833	1.0
201.05475	1.1
203.03362	0.7
217.04938	1.0
218.05730	0.8
228.04132	2.0
229.04900	4.3
231.02861	0.7
245.04338	1.6
246.05161	2.3
256.03738	0.2
257.04391	3.8
260.03055	0.7
271.05481	0.2
273.03879	2.4
274.04639	5.5
284.03094	0.9
285.03860	5.9
301.03537	0.3
302.01364	0.2
302.04150	15.7
317.06494	100.0
318.06839	1.2
392.69638	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	Isorhamnetin 3-rhamnoside
Peak:m/z	Relative Intensity
55.05489	0.6
57.03428	15.3
67.05477	0.6
69.03397	0.5
71.04967	1.5
73.02898	5.6
75.04457	36.3
79.05449	0.3
81.07051	0.6
83.04926	0.3
85.02885	4.4
86.09687	0.6
90.40415	0.4
91.05445	0.4
92.02596	1.7
93.03367	1.4
93.06999	1.4
95.08569	0.7
97.06476	0.4
105.07001	0.4
107.08590	0.6
109.06465	0.6
109.10168	0.5
111.04422	0.5
119.08563	0.6
121.02850	1.4
121.10090	1.2
125.09615	0.4
129.89281	0.3
133.10051	0.7
135.04364	0.4
135.11647	0.8
139.03876	1.6
151.03899	1.4
153.01793	11.1
161.55528	0.3
163.03860	0.4
165.01788	0.8
201.05452	0.6
203.03337	0.4
207.13570	0.3
217.04953	0.6
217.96272	0.3
221.17117	0.3
228.04161	1.5
229.04872	3.6
245.04390	1.5
246.05138	3.0
256.03473	0.4
257.04456	3.3
260.03027	0.5
273.03812	1.8
274.04669	5.4
285.03897	6.6
286.04944	0.4
302.04156	15.2
312.05981	0.5
313.06076	0.7
317.06482	100.0
318.06897	1.6
343.06824	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	463.1231
Annotation	kaempferide 3-O-glucoside
Peak:m/z	Relative Intensity
55.05449	0.1
57.03405	0.1
57.07024	0.2
63.97605	0.2
66.98891	0.1
67.05437	0.7
68.13437	0.1
69.03346	0.2
69.07005	0.3
71.04926	0.2
79.05404	0.2
81.07041	1.6
83.08557	0.3
85.02834	0.4
91.05387	0.2
93.06978	0.7
95.08585	1.8
98.64387	0.1
102.68891	0.2
107.08532	0.2
109.10081	0.9
119.08492	0.2
121.10070	0.3
122.69895	0.2
123.11642	0.3
133.10039	0.2
135.11598	0.2
137.13098	0.2
153.01694	0.4
195.54709	0.2
229.04926	0.3
247.24138	0.2
258.05167	22.1
286.04645	52.5
287.05060	0.4
301.06998	100.0
302.07370	1.6
463.12027	1.4
474.59280	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	4.7
56.07808	1.1
57.03427	1.3
57.07075	1.4
61.02913	1.5
64.17442	1.3
67.05492	7.1
69.03412	15.0
69.07032	2.6
71.04977	8.7
71.28271	1.1
72.48540	1.2
73.02912	1.4
79.05466	5.7
81.03416	1.7
81.07028	5.4
83.04959	8.3
85.02897	22.4
85.06531	2.9
87.04456	2.0
89.06009	100.0
91.05483	9.8
93.07007	11.8
95.04946	18.1
95.08578	8.2
97.02859	10.6
97.06480	1.8
99.04440	1.7
105.07022	16.8
107.04901	1.7
107.07045	2.2
107.08573	11.1
109.02895	1.8
109.06493	15.2
109.10121	5.2
111.04430	9.9
111.08007	3.3
112.50974	1.3
113.05992	8.5
114.65669	1.3
117.06986	3.2
119.08540	20.9
119.61220	1.1
121.02848	3.0
121.06474	8.8
121.10123	7.0
123.04379	1.6
123.08055	6.7
125.05974	1.4
127.03872	2.2
129.07004	1.7
130.07843	1.7
131.08533	11.6
133.06499	1.9
133.08582	33.1
133.10095	9.2
135.04330	1.4
135.08032	15.0
137.06015	1.2
137.09598	5.5
139.03880	5.1
142.07802	5.2
143.08542	8.8
145.06429	1.8
145.10080	11.7
146.07268	1.5
147.08014	10.8
147.11731	2.0
149.05960	1.5
149.09575	2.6
151.07545	2.6
153.09079	1.5
155.08545	2.3
155.10681	6.7
156.09286	1.7
157.10095	7.1
158.07240	7.1
158.10864	1.9
159.08012	10.7
159.11667	14.3
161.09610	18.3
163.07509	2.1
165.09166	2.7
171.08044	2.6
171.11705	5.4
172.08812	6.0
172.81390	1.4
173.09604	4.4
173.13200	9.9
174.06705	1.5
175.07492	10.8
175.11145	7.6
177.09070	1.9
177.11192	8.4
183.11681	5.9
187.11118	10.5
189.09084	11.0
189.12680	2.6
191.10745	1.8
193.08563	2.8
196.08878	2.4
199.11136	5.8
201.12726	9.9
203.10654	7.0
205.12228	5.9
207.10132	10.8
211.11076	9.3
217.12201	7.3
219.13791	6.2
229.12221	7.3
235.13260	5.2
239.14882	1.7
247.13200	34.2
253.14238	2.2
265.14279	89.2
272.33386	1.4
283.17487	78.8
360.09070	1.6
437.77783	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	0.7
55.05494	3.6
57.03432	4.1
67.05483	0.6
69.03420	1.2
69.07041	0.7
71.04594	1.1
71.04972	16.5
73.02885	0.6
75.04430	1.1
79.05469	0.8
81.07045	1.1
83.04961	2.4
83.08598	1.4
85.02888	22.2
91.05446	6.1
93.07014	2.3
95.04916	0.6
95.08614	0.8
97.02866	0.9
97.06509	0.5
99.04409	0.7
100.11240	8.7
105.07044	0.9
107.04920	4.7
107.08540	0.7
108.05267	0.8
111.04432	1.3
117.06995	5.3
119.08558	100.0
120.08850	0.7
123.04372	0.9
129.05461	5.5
133.10045	0.7
147.06519	2.5
151.07489	2.5
173.13272	0.8
179.10579	0.6
182.15349	3.9
206.05421	0.6
209.16307	0.7
210.14853	2.5
227.17574	0.7
232.07484	0.6
264.40945	0.8
283.11774	0.7
295.24854	0.6
296.60550	0.5
312.09320	1.1
383.46814	0.6
383.51822	0.6
389.81024	0.7
407.27432	0.6
441.23776	0.6
446.62637	0.7
453.34348	1.1
462.34146	1.0
476.97925	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	1.8
57.03426	1.3
61.02916	1.4
62.56690	0.7
67.05492	6.3
69.03415	9.5
69.07064	1.0
71.04957	1.5
79.05478	4.7
79.30254	0.7
81.03388	1.1
81.07039	3.8
82.14117	0.6
83.04933	2.9
85.02887	9.6
91.05445	7.2
92.08639	0.7
93.07013	10.3
95.04953	12.2
95.08607	4.9
97.02862	3.6
97.06537	1.4
99.04430	1.4
103.05485	0.7
105.07011	16.5
107.05029	0.8
107.08577	4.8
109.02843	0.9
109.06497	8.2
109.10120	2.7
111.04420	9.3
111.08038	1.4
113.05976	3.9
117.07007	3.7
119.08559	21.7
121.02859	2.8
121.06480	14.9
121.10144	3.5
123.08030	7.6
129.06996	3.6
130.07684	0.9
131.08537	10.2
133.06476	1.5
133.10123	3.4
135.04514	0.8
135.08025	20.0
137.09592	3.4
139.03920	1.7
139.07535	2.5
141.07010	1.4
142.07767	1.7
143.08549	5.0
145.06470	2.9
145.10101	9.8
147.08043	12.1
147.11676	4.6
149.09651	1.7
151.07593	0.8
155.08540	1.7
155.10649	0.7
156.09370	1.3
157.10123	7.8
158.07239	6.3
158.10849	1.2
159.08009	11.9
159.11653	13.5
160.08798	1.0
161.06075	0.8
161.09584	12.5
165.09074	5.8
168.09221	1.5
169.10017	1.2
171.08015	1.0
171.11671	3.3
172.08777	7.4
173.09608	7.5
173.13219	6.5
175.07512	18.1
175.11128	11.7
183.11690	5.7
185.09543	1.5
186.10394	1.6
187.11116	11.0
189.09085	3.5
189.12747	3.1
193.08577	4.0
193.10135	1.1
196.08742	0.9
199.11137	6.0
201.12704	10.4
203.10641	11.6
205.12263	1.3
207.10089	0.9
211.11162	6.5
217.12190	7.2
219.13837	3.5
229.12212	8.0
235.13229	1.4
241.99864	0.8
247.13239	24.4
254.48164	0.8
265.14288	100.0
266.14700	1.2
289.67593	0.7
462.86963	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2331
Annotation	Unknow
Peak:m/z	Relative Intensity
51.35252	0.3
51.92624	0.3
53.03939	0.2
53.27831	0.3
54.37128	0.2
55.01862	0.4
55.05496	1.4
57.03433	5.7
59.94490	0.2
67.05480	0.6
69.03400	1.3
69.07076	0.3
71.01329	0.3
71.04977	31.0
73.02891	1.3
75.04437	1.3
79.05467	0.6
81.03396	0.6
81.07018	0.5
83.04951	1.9
83.08562	0.4
85.02891	33.0
86.03226	0.3
86.09648	0.3
87.04428	0.6
91.05457	4.7
93.07008	1.3
95.04929	0.4
95.08584	0.5
97.02856	0.7
97.06519	0.7
99.04424	0.6
100.11243	0.6
103.05445	0.4
105.06998	0.6
107.08570	1.6
109.10119	0.3
111.04422	1.3
117.07005	1.2
119.08558	100.0
119.33727	0.3
121.10164	0.5
123.04387	0.6
123.08120	0.4
127.03904	0.3
129.05452	8.5
131.08475	0.3
133.10106	4.4
135.08047	1.7
137.05969	0.4
142.07916	0.4
145.04967	0.3
145.10088	1.4
147.06476	2.3
149.02327	0.4
157.10094	1.6
159.08012	0.6
161.05968	0.4
161.09590	2.1
164.09158	2.1
173.09628	3.1
177.16364	0.5
185.09648	0.5
189.09106	0.5
203.10774	2.2
229.12144	0.4
233.11655	0.6
247.09631	0.5
247.13353	0.6
247.42671	0.3
265.14264	1.2
286.99902	0.4
314.99335	0.5
342.98996	1.5
361.00000	0.5
363.03732	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	462.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
51.89148	1.2
53.03915	2.3
54.37254	1.1
55.01861	2.4
55.05497	6.6
57.03421	1.9
57.07060	2.7
61.02901	3.2
65.03927	2.2
67.05493	10.6
67.33093	1.3
69.03419	14.4
69.07059	2.8
71.04973	11.2
73.02908	2.3
74.92089	1.3
79.05466	9.4
81.03422	2.1
81.07043	8.2
82.30786	1.4
83.04961	8.1
85.02894	22.5
85.06526	3.6
87.04436	3.7
89.06014	51.6
91.05442	10.7
93.03373	2.6
93.07045	14.8
95.04955	23.3
95.08604	13.6
97.02865	10.0
97.06499	6.8
98.97537	2.3
99.04430	2.2
105.07010	23.3
107.04919	1.7
107.08561	15.9
109.02872	2.6
109.06487	16.0
109.10143	9.3
111.04399	16.5
111.08078	6.1
113.05981	12.7
116.98606	2.1
117.07012	6.6
119.08556	28.3
121.02834	6.7
121.06496	13.5
121.10165	2.5
123.04406	1.6
123.08021	13.0
127.03899	3.7
129.06955	2.8
130.07787	2.2
131.08548	17.9
133.06476	3.3
133.08595	18.3
133.10097	10.3
135.08041	16.9
137.05971	1.8
137.09590	3.8
139.03891	9.4
139.07486	1.8
141.07002	2.4
142.07776	2.5
143.08540	11.6
144.09302	2.6
145.06445	7.5
145.10114	18.3
147.08005	19.8
147.11708	2.8
149.09608	3.6
155.08533	1.9
155.10651	7.5
156.09271	3.4
157.10114	3.6
158.07211	3.2
159.08020	18.8
159.11656	21.1
161.09607	23.8
163.07463	1.9
165.09084	7.8
168.09259	2.6
171.08022	2.5
171.11671	2.8
172.08794	7.5
173.09656	6.4
173.13258	14.5
175.07565	15.3
175.11159	9.5
177.09097	2.8
177.11220	3.5
181.10211	1.9
183.11650	3.7
185.09575	2.4
187.11127	13.7
189.09068	11.2
189.12688	2.7
191.10661	1.7
193.08600	4.8
193.10121	2.1
196.08826	3.3
199.11186	8.6
201.12703	14.2
203.10634	8.2
205.12283	6.1
207.10124	11.8
211.11137	9.4
217.12170	6.8
219.13808	8.0
228.96071	2.0
229.12241	10.3
235.13258	8.3
247.13217	37.9
253.14290	3.0
265.14288	100.0
283.17624	37.7
298.70798	1.8
384.74756	1.6
408.15280	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81446	0.2
55.05507	1.6
56.96551	0.4
57.03419	0.3
57.07052	0.2
61.02897	0.4
63.76548	0.2
67.05490	4.5
69.03399	0.4
69.07053	1.7
71.04951	0.4
79.05457	1.5
81.03410	0.4
81.07038	7.4
81.33425	0.2
83.04951	0.6
83.08591	0.9
85.02884	1.1
91.05457	1.2
92.09328	0.5
93.07024	2.1
95.04931	0.4
95.08579	5.2
97.02853	1.0
97.10181	0.2
99.04402	0.2
105.06984	1.1
107.08568	1.8
109.06487	0.7
109.10139	7.0
116.98554	0.2
119.08572	3.2
121.10110	1.4
122.07261	1.7
123.08054	0.4
123.11687	1.3
127.03105	0.2
131.08559	0.3
133.10080	0.3
135.08055	0.4
135.11662	0.8
137.09586	13.5
137.13200	0.2
143.11115	0.2
145.10092	0.2
147.08031	0.2
149.01073	0.2
149.09598	2.1
149.13206	0.9
151.07494	0.2
151.11121	0.2
151.14714	0.2
163.14723	0.3
165.09076	100.0
166.09390	1.0
175.11279	0.2
177.00714	0.2
179.10640	1.1
189.04341	0.2
189.12769	0.9
191.00252	0.4
197.73122	0.2
205.12180	2.7
241.07710	0.2
242.46075	0.2
263.23605	0.7
267.09027	0.4
271.84848	0.2
285.09995	0.7
291.26706	0.7
425.34177	0.3
443.35040	0.9
461.24759	0.3
478.27765	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.362
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.05493	1.6
57.07070	0.4
61.02913	0.4
64.33061	0.4
67.05492	4.9
69.07026	1.6
79.05450	0.8
81.07030	6.4
83.04971	0.4
83.08575	0.5
90.87736	0.3
91.05439	1.9
93.07005	2.0
95.04972	0.6
95.08565	3.5
104.02973	0.4
105.06996	1.7
107.08572	1.8
109.06516	0.7
109.10140	6.6
117.06962	0.6
119.08546	3.3
121.10101	0.6
122.03599	0.6
122.07256	2.1
123.11640	1.5
125.56232	0.3
129.06967	0.4
131.08553	0.5
135.11649	0.6
137.09583	15.5
137.13222	0.7
145.10057	0.5
149.02441	0.4
149.09583	1.8
157.64258	0.3
159.11623	0.4
165.05432	13.5
165.09073	100.0
166.05803	0.5
166.09355	0.6
189.12703	0.7
205.12169	2.3
368.33112	0.4
461.28528	0.5
470.72336	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3622
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03929	1.2
54.08805	1.1
55.01844	2.0
55.05505	18.6
56.83290	0.9
57.07069	12.4
60.10578	1.0
62.47723	0.9
67.05488	13.8
69.07055	45.0
71.08610	4.7
73.50229	0.9
79.05479	10.1
81.07042	30.9
83.04955	1.4
83.08601	19.1
85.10171	2.0
90.71619	1.2
91.05466	5.4
93.07024	10.7
95.04920	1.0
95.08588	28.6
97.10136	10.5
105.07012	11.8
107.08565	9.6
109.06502	14.5
109.10137	18.1
111.04414	1.2
111.11668	2.2
113.92917	1.2
119.04946	1.6
119.08556	5.6
121.06482	1.5
121.10071	7.9
123.08047	5.0
123.11670	5.9
125.05969	22.3
131.08525	1.6
133.06453	15.6
133.10115	2.5
135.08002	9.1
135.11673	1.8
137.05945	68.1
137.09589	2.6
137.13187	2.5
139.07475	13.2
145.10092	2.0
147.11693	2.2
149.05939	2.2
149.09572	8.7
151.07516	31.6
159.11707	2.1
161.05945	15.1
161.09616	2.1
161.13348	1.9
163.11160	1.5
165.05475	1.9
165.09074	32.0
167.07024	2.6
173.09514	1.4
175.11177	2.2
176.30751	1.3
177.09113	8.0
177.12695	1.4
179.07002	66.6
179.10608	1.2
184.19910	1.4
189.12741	2.0
191.10614	1.8
191.14247	1.1
193.08507	2.0
201.12743	1.6
203.10631	2.1
205.12206	6.0
247.13142	1.2
259.20227	1.4
307.82233	1.2
387.27899	1.2
397.34647	4.9
403.13724	1.2
415.35721	9.0
425.33826	2.0
443.35132	100.0
444.35345	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3623
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
53.03946	0.9
55.05504	11.3
57.07052	3.6
66.55740	0.6
67.05491	11.3
69.07056	19.0
69.20292	0.7
69.35269	0.7
71.08592	2.8
75.57663	0.7
77.19398	0.6
79.05463	4.8
81.06594	1.4
81.07036	22.1
83.04948	1.7
83.08604	6.2
85.10166	0.7
91.05433	3.7
93.07037	6.9
95.04935	1.0
95.08591	17.9
97.06498	0.7
97.10168	5.2
105.07005	4.5
107.04922	1.1
107.08575	6.5
109.06516	3.1
109.10149	14.4
111.11708	0.9
117.07003	1.2
119.08550	6.6
121.06476	10.9
121.10123	5.1
122.07280	1.6
123.08023	1.7
123.11660	4.2
125.05988	1.7
127.07533	4.3
131.08560	1.2
133.10068	3.1
135.08031	4.2
135.11656	1.4
137.05949	3.3
137.09593	13.6
137.13239	1.4
139.07524	14.7
143.08496	1.1
145.10107	1.4
147.11667	1.5
149.09570	10.0
149.13208	1.5
151.07555	6.7
153.09088	3.5
159.08018	1.2
159.11658	1.2
161.09608	1.0
163.07477	1.0
163.11165	3.2
165.09077	100.0
167.06927	1.0
172.29976	0.7
173.09604	1.5
173.13264	1.4
174.10425	1.1
175.11119	1.7
177.09056	5.6
189.09053	1.8
189.12677	4.3
191.10623	3.9
201.12804	1.2
203.10641	3.6
203.14320	0.8
205.12202	5.1
215.10483	0.8
229.12224	1.3
350.05670	1.0
425.33835	7.1
443.35162	11.2
461.36798	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	461.3619
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72777	1.2
53.33289	1.4
53.60427	1.5
55.05505	28.5
57.07060	8.1
60.34095	1.6
67.05483	28.3
69.07058	40.1
71.04991	1.7
71.08616	2.3
79.05468	11.9
81.07035	67.2
83.04961	3.0
83.08604	16.0
85.06538	2.3
91.05464	8.6
92.08656	1.7
92.09144	7.0
93.07023	21.1
95.04958	2.1
95.08585	82.8
97.10151	9.5
105.07020	8.6
107.08575	14.5
109.06550	1.6
109.10143	37.0
111.11717	2.6
119.08572	10.8
121.10110	17.1
123.08060	29.0
123.11701	18.7
125.09600	2.2
131.08519	2.5
133.06482	10.3
133.10109	6.7
135.11659	5.8
137.05928	2.6
137.09607	22.3
137.13237	2.2
146.67291	2.0
147.11650	2.3
149.09608	8.5
149.13278	7.9
151.07512	30.6
151.11139	1.8
157.10164	1.8
159.11641	3.4
165.06908	1.6
165.09177	8.9
169.08568	100.0
397.26248	1.9
397.34592	2.3
399.36191	2.9
415.35492	40.0
425.34253	2.1
443.35138	7.4
461.36191	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	461.3609
Annotation	Phlomistetraol A
Peak:m/z	Relative Intensity
50.42420	1.8
53.00291	2.6
54.81930	2.3
55.05494	28.3
57.07050	12.2
58.64586	2.3
67.05486	54.7
69.07051	47.5
71.08614	2.7
79.05462	17.5
81.07030	97.5
83.04931	3.3
83.08603	18.9
89.71123	2.1
91.05436	13.0
93.07019	26.9
95.08575	100.0
97.06498	5.2
97.10131	9.9
105.06990	12.5
105.24220	2.6
107.08556	32.4
109.06461	9.0
109.10144	38.3
111.08031	2.8
111.11702	3.3
112.78266	2.8
119.08558	17.3
121.06427	2.7
121.10129	20.6
123.08047	15.8
123.11671	14.0
126.87338	2.2
131.08514	9.6
133.06456	4.1
133.10085	5.9
135.08031	10.8
135.11723	4.0
137.05972	9.8
137.09576	14.9
137.13248	3.1
139.07526	2.9
145.10106	3.3
147.11674	5.5
149.09595	9.7
149.13210	10.5
151.07518	20.4
151.14812	10.6
159.11615	5.5
161.09663	2.9
165.09065	21.6
169.01645	2.5
169.08545	38.1
177.09094	12.5
179.07027	6.0
181.08553	2.9
184.16872	11.9
205.12163	2.9
293.22144	5.0
334.30957	23.2
360.84402	2.4
399.30469	2.4
401.34244	3.2
415.35626	17.9
425.34717	3.4
443.35480	36.9
461.37244	93.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3107
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.3
53.42611	0.8
54.81732	0.9
55.01850	0.8
55.05502	15.9
57.03440	1.1
57.07065	3.4
61.02914	1.8
67.05140	1.5
67.05492	32.2
67.57624	0.8
69.03418	5.7
69.07050	17.9
70.06574	1.2
71.04971	5.9
71.08623	1.1
77.17558	0.8
79.05471	12.6
81.07038	96.3
81.28713	0.7
83.08593	7.5
85.02882	11.1
85.06532	5.0
88.11889	0.8
91.05469	6.4
93.07022	28.3
93.07569	1.5
93.22465	0.9
95.08582	100.0
97.02873	4.5
97.06501	2.0
97.10143	5.2
99.04420	1.1
99.08062	1.1
105.07008	7.4
107.04978	0.9
107.08575	22.9
109.10143	39.6
109.49698	0.9
110.76913	0.8
111.08048	1.5
111.11698	1.0
113.09575	1.1
116.99256	0.9
119.08574	5.9
121.10123	19.6
121.75617	0.8
123.11677	26.3
125.09653	1.2
127.03930	1.1
133.10138	6.1
135.11674	18.5
137.13245	7.3
145.10086	1.2
147.11685	4.9
148.11238	1.7
149.13226	13.3
154.59178	0.7
161.13254	4.3
163.14819	9.9
163.15994	0.9
165.09079	1.9
165.16400	1.0
167.53993	1.0
175.14828	5.1
189.16344	5.9
220.75824	1.0
245.22609	11.5
257.03455	1.0
263.23633	43.4
281.24619	7.2
418.86829	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	1.5
55.01868	1.4
55.05502	14.3
57.03421	3.2
57.07043	2.5
57.21215	1.1
58.20209	1.1
59.04940	1.2
61.02903	2.8
63.36095	1.1
67.05490	27.1
69.03411	11.9
69.07063	17.4
71.04969	2.9
73.02880	1.9
78.05287	1.3
78.37555	1.2
79.05476	13.3
81.03416	5.7
81.07038	71.4
83.04954	2.6
83.08599	8.7
85.02894	27.0
85.06552	2.6
91.03965	1.2
91.05441	2.9
93.07026	25.7
95.04923	2.3
95.08585	85.8
97.02867	6.6
97.10133	6.3
105.07016	6.4
107.08567	23.1
109.02872	1.9
109.06527	1.7
109.10145	42.1
111.11718	1.5
113.09647	1.4
117.07027	2.4
119.08553	9.0
119.24082	1.3
121.10117	13.9
122.07252	2.4
123.11674	20.4
125.09592	1.6
127.03869	3.0
133.10081	2.8
135.11668	13.6
137.09586	16.9
137.13219	6.2
145.10081	1.6
147.11650	2.1
149.09595	5.2
149.13228	13.1
157.20906	1.4
161.13177	2.1
163.14774	8.2
165.09074	100.0
175.14774	1.8
189.16350	2.2
205.12041	2.1
239.07062	1.4
239.83183	1.3
245.22552	9.6
251.98782	1.3
256.38861	1.3
263.23633	29.9
281.24786	6.5
285.09940	5.6
429.27026	1.3
446.31119	1.5
485.92691	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.3105
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.8
53.03933	3.5
55.01871	1.2
55.05505	14.5
57.03423	4.2
57.07058	5.5
58.89876	0.7
61.02908	3.9
63.20475	0.6
67.05492	34.1
69.03410	8.8
69.07055	20.4
71.04974	7.0
73.02906	1.3
79.05470	11.6
81.03406	3.6
81.07038	100.0
81.55882	0.7
83.04971	1.2
83.08611	8.8
84.11704	0.7
85.02892	22.8
85.03371	1.4
85.06539	5.3
90.45110	0.8
91.05466	4.3
93.07024	23.1
95.04951	3.4
95.08588	84.1
97.02867	10.0
97.06508	3.5
97.10167	6.2
99.04433	1.5
99.08060	1.1
102.33943	0.7
105.06998	8.0
107.08578	19.7
109.02855	1.7
109.10143	43.7
111.08069	0.9
111.11690	1.3
113.09621	1.5
119.08554	7.6
121.10117	16.1
123.11686	26.5
125.09608	1.3
127.03893	3.2
133.06442	0.9
133.10138	5.5
135.11668	14.8
137.13226	8.7
145.04930	1.3
145.10139	0.9
147.11664	4.4
149.13232	11.8
151.14781	1.1
159.11647	1.1
161.13194	3.5
163.14813	10.5
165.16386	0.7
175.14853	3.8
177.16350	1.2
189.16393	4.9
245.22621	7.7
257.15643	0.8
263.23639	23.0
281.24774	9.0
299.25864	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.2376
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	3.5
53.73110	0.5
53.86282	0.6
55.01870	1.1
55.05505	16.7
57.03430	9.4
57.07068	1.2
59.13765	0.6
60.04494	0.7
61.02911	3.4
65.03942	1.1
67.05137	1.6
67.05492	36.3
69.03416	1.8
69.07053	9.9
71.04978	3.1
73.02895	1.0
73.06530	1.0
79.05476	50.4
81.03400	8.0
81.07040	36.6
83.04966	15.8
83.08180	0.7
83.08582	5.4
85.02890	3.9
85.06522	1.8
87.04452	0.7
91.05460	35.5
93.07024	50.7
95.04951	14.9
95.08590	22.1
97.02882	1.6
97.06506	4.2
97.10158	4.1
100.38210	0.7
103.05438	0.9
105.07012	25.6
107.04929	5.8
107.08593	12.3
109.06501	8.3
109.10157	6.6
111.11690	1.0
115.59988	0.7
117.07041	5.1
119.08568	17.9
121.06487	1.3
121.10107	5.2
123.08058	4.5
123.11658	0.7
129.06979	11.1
131.08554	3.6
133.10144	7.6
135.01115	0.8
135.11700	2.8
137.09616	1.8
143.08565	7.1
145.10127	7.0
147.08018	1.4
147.11679	24.4
149.13225	1.0
159.11737	1.2
161.09605	1.8
161.13216	6.0
163.11101	0.8
165.09059	5.9
171.11649	15.3
189.12732	4.2
207.13765	7.6
281.17432	100.0
285.09946	1.0
443.22522	1.4
461.86035	0.7
463.05280	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.144
Annotation	8-Hydroxy-4',7-dimethoxyisoflavone 8-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.05484	1.3
67.05499	2.0
69.03417	2.1
69.07041	1.1
71.04985	1.3
79.05468	2.5
81.07036	6.1
83.08620	1.3
85.02914	1.4
85.06514	1.1
91.05460	7.9
92.08625	1.2
93.06996	2.4
95.08572	4.3
97.06487	2.3
100.11222	1.5
105.06997	2.1
107.04932	100.0
107.08570	4.4
109.10142	4.5
119.08509	2.2
121.10102	1.8
123.04400	5.2
124.72096	1.1
129.33502	1.2
132.41212	1.3
133.10080	1.7
135.11655	2.3
141.10782	1.1
145.10083	1.6
149.13249	1.4
156.11211	1.0
167.73227	1.3
175.14668	1.4
186.43250	1.3
193.04922	45.4
209.45265	1.1
215.02226	1.1
244.60805	1.0
263.12787	1.3
299.09067	68.0
314.26306	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	461.1073
Annotation	5-Hydroxypseudobaptigenin 7-O-glucoside
Peak:m/z	Relative Intensity
51.09286	0.3
55.05503	0.8
67.01845	0.3
67.05479	0.7
69.03407	0.8
69.07046	1.7
71.04953	0.4
72.63546	0.3
73.13486	0.3
73.95920	0.3
78.17266	0.3
79.05473	1.6
81.03391	0.3
81.07035	3.3
83.04980	0.5
85.02881	1.9
85.06533	0.4
91.05432	0.7
92.09272	0.7
93.07026	2.3
95.04934	0.4
95.08573	2.7
97.02889	0.3
97.06516	0.6
99.04493	0.3
105.07002	1.5
107.04939	0.3
107.08561	1.8
109.06481	0.4
109.10153	1.2
111.08079	0.6
119.08567	1.5
121.06538	0.3
121.10131	1.4
123.04425	0.5
123.11698	0.3
125.09551	0.6
129.07021	0.3
131.08517	1.2
133.10072	0.7
138.05467	0.4
139.03905	0.4
145.10130	0.7
147.04402	1.6
147.11694	0.6
153.01823	3.2
157.10146	0.4
159.11812	0.3
165.09044	0.4
171.02855	1.3
234.41930	0.3
241.04921	1.5
243.06345	0.3
252.91930	0.3
263.20212	0.3
269.04422	4.7
271.05988	1.6
276.97870	0.3
281.24667	0.5
298.59030	0.4
299.05441	100.0
300.05817	0.5
461.10498	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.3265
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80744	1.2
53.03936	1.1
53.86896	1.2
55.01863	1.1
55.05270	1.6
55.05503	13.6
56.05028	6.6
57.03410	2.2
57.07062	1.9
58.02945	2.9
60.04535	1.7
61.02916	3.5
67.05497	25.5
68.05007	3.2
69.03404	8.4
69.07050	14.1
70.06568	6.7
70.79836	1.2
73.56268	1.2
79.05481	18.4
80.04996	2.0
81.03408	5.4
81.07037	25.9
82.06547	10.5
83.04989	2.5
83.08610	10.7
85.02904	13.3
85.10163	1.9
91.05457	14.4
93.07044	12.4
94.06552	10.1
95.04958	2.5
95.07342	2.0
95.08598	17.4
96.08127	5.1
97.02856	7.9
97.10165	3.0
98.06014	1.4
105.07006	7.0
107.08585	8.1
108.08107	2.0
109.02859	2.9
109.10124	6.0
114.19836	1.5
119.08542	6.6
121.06445	1.5
121.10136	6.1
123.04411	8.3
123.11683	1.6
133.10115	2.3
135.11670	1.7
149.02303	2.4
177.09019	2.7
183.02281	2.0
197.01208	1.8
250.25238	8.7
262.25220	24.2
264.27026	1.9
280.26297	100.0
298.27316	5.2
442.31616	15.3
460.32758	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	460.2175
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03436	0.6
61.02900	2.7
67.05478	1.0
69.03420	3.4
72.44596	0.6
74.09707	1.1
78.89598	0.6
81.07050	0.7
84.50812	0.6
85.02885	10.3
93.07030	0.8
95.04965	0.7
95.08564	5.3
97.02868	3.8
97.06498	3.5
105.06991	0.8
108.69707	0.6
119.08570	1.1
121.06484	1.1
123.08046	98.4
125.36341	0.7
131.08519	1.1
135.08093	0.6
137.05988	0.9
139.03844	6.7
140.04221	3.9
143.08574	0.9
145.04887	0.7
147.08009	1.2
159.08051	1.1
159.11682	0.8
161.09537	0.8
163.07570	0.6
165.09076	100.0
171.11766	0.7
185.09570	0.8
187.11127	2.7
199.11163	1.5
203.10648	0.9
205.08522	2.6
217.12045	0.9
233.11633	2.8
245.11705	0.9
263.12717	21.1
267.15787	0.6
281.13751	1.5
460.18442	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	459.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
50.71330	0.3
55.05490	1.5
63.96534	0.3
67.05489	5.1
69.07054	1.4
79.05468	0.8
81.07047	6.3
83.04948	0.5
83.08589	0.4
83.80665	0.3
85.02903	0.6
85.06523	0.5
91.05473	0.8
92.98548	0.3
93.07006	1.9
95.08591	3.6
105.07013	0.4
107.08569	2.0
109.10131	7.0
119.08527	4.5
121.10129	1.5
122.07265	2.2
123.04420	0.8
123.11690	3.0
133.10159	1.3
135.07982	0.4
135.11684	0.5
137.05965	0.5
137.09587	15.5
137.93559	0.4
139.03833	0.8
147.04417	0.4
147.11642	0.4
149.09584	1.3
149.18704	0.3
161.10892	0.4
165.09073	100.0
179.10561	0.4
180.24301	0.4
191.10608	0.4
201.07896	0.4
205.12184	2.4
217.80522	0.3
265.33777	0.4
274.04449	0.4
330.38882	0.5
348.55344	0.3
414.54413	0.4
441.33368	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	460.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81327	0.8
57.24899	0.8
67.05476	1.3
67.53564	0.9
69.03413	3.6
74.09709	1.1
81.07064	0.8
84.69925	0.8
85.02422	0.7
85.02892	6.3
91.05428	0.9
95.08577	4.7
97.02859	1.9
97.06491	3.7
97.27584	0.7
109.02855	1.1
111.04357	0.8
119.08528	3.1
121.06473	0.9
123.04391	0.8
123.08042	96.6
135.08078	1.3
137.05931	0.9
138.35858	0.7
139.03920	6.6
140.04228	1.9
147.07982	1.3
159.07950	1.4
159.11816	1.1
161.09386	0.9
163.07524	1.0
165.09081	100.0
172.68881	0.8
173.09654	1.3
175.11090	1.0
177.09128	1.2
187.11093	2.0
199.11133	3.7
212.38971	0.9
215.10670	1.4
217.11996	1.1
217.57994	0.9
227.10748	1.0
233.11586	1.4
258.28006	0.9
263.12753	21.9
281.13785	1.1
416.19824	1.1
459.18283	0.9
460.18546	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	459.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05255	4.1
55.05496	31.9
57.07061	27.3
63.94548	4.0
67.05494	35.5
68.62657	4.3
69.07059	50.3
69.15750	3.8
71.04968	9.5
71.08613	20.3
79.05463	21.3
81.06595	6.2
81.07040	100.0
82.90462	4.0
83.04951	5.1
83.08604	22.6
89.06001	6.4
91.05443	22.0
91.41468	4.2
93.07021	32.7
95.08591	81.7
97.10142	7.7
99.04437	9.8
105.06987	11.8
107.08550	28.7
109.06516	11.0
109.10163	59.9
118.33111	4.6
119.08559	8.2
121.06499	19.6
121.10140	19.4
123.11625	10.2
125.05948	60.5
127.03874	34.1
133.10088	5.4
135.08040	6.4
135.11694	6.5
135.16559	5.7
137.05952	70.7
137.09587	8.3
137.13219	10.2
139.07527	5.8
147.11632	6.7
149.13260	19.1
159.11700	5.9
161.13182	7.1
165.09088	84.3
167.06992	7.9
177.09094	8.6
208.69818	5.6
209.16646	5.1
315.18243	6.9
441.33212	5.9
442.26883	5.0
459.34518	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	459.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.0
53.03928	1.7
55.01857	4.2
55.05506	33.3
57.03430	1.7
57.07069	9.5
67.05492	37.9
69.03397	1.2
69.07054	42.1
70.59876	0.8
70.93082	0.7
71.04954	1.3
71.08614	3.3
71.42303	0.9
71.67898	0.7
75.04504	0.8
79.05059	1.0
79.05480	19.7
81.07037	100.0
83.04968	3.3
83.08167	1.4
83.08602	17.0
85.06488	1.6
85.10149	1.5
91.05457	14.7
93.07020	28.8
95.04948	4.3
95.08583	71.2
97.06506	4.2
97.10150	11.3
99.08072	1.1
105.07022	13.6
107.08580	27.1
109.06487	9.2
109.10140	40.3
111.04428	1.0
111.08031	6.0
111.11694	3.9
117.06987	1.8
119.04860	0.7
119.08557	12.0
121.06483	2.1
121.10127	14.2
122.07266	1.0
123.08043	8.2
123.11685	20.2
124.05180	1.5
125.09602	1.5
127.07512	1.4
129.06963	1.1
131.08536	5.4
133.10104	9.2
135.08026	6.3
135.11674	9.0
137.05956	11.5
137.09583	5.2
137.13226	6.3
139.07513	27.5
142.07756	0.9
143.08562	1.6
145.10118	3.5
147.08041	1.6
147.11580	6.3
149.05959	5.7
149.09622	7.9
149.13237	6.0
151.07515	12.4
151.14763	1.4
153.09111	1.0
155.08467	1.1
156.09381	1.2
157.10114	3.5
159.08051	1.0
159.11659	5.2
160.08838	1.2
161.09598	1.2
161.13246	4.8
163.07558	1.4
163.11177	3.5
163.14787	4.8
165.05475	3.8
165.09081	22.7
167.06975	7.7
171.11609	1.8
173.09552	3.4
173.13205	1.5
174.10283	1.1
175.07544	1.3
175.11142	5.3
175.14760	2.1
177.09048	13.9
177.16341	2.0
179.06981	3.9
179.10631	1.4
181.08522	1.4
185.09554	1.2
185.13124	1.6
189.09070	4.4
189.12732	4.2
189.16454	1.1
191.10663	5.0
193.08527	1.8
199.11234	4.1
202.09796	1.5
203.10648	10.4
203.14204	1.9
203.17978	1.1
205.12196	1.8
213.12573	0.8
216.11497	1.3
217.12236	1.5
219.13728	1.6
229.12155	1.2
231.13657	3.3
236.58537	1.0
296.76425	0.9
301.13965	1.7
303.26624	3.1
321.27762	3.4
408.86362	0.9
413.33719	1.9
423.32590	3.2
431.34985	3.3
441.33603	16.7
459.34821	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	459.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96223	2.9
53.74900	2.5
55.05502	32.9
57.03427	3.2
57.07068	13.8
67.05502	35.7
69.03419	3.6
69.07053	39.4
71.04989	5.7
79.05469	20.3
81.07038	100.0
83.08595	13.8
91.05464	16.1
93.07034	31.4
95.04943	5.0
95.08578	73.3
97.10163	5.5
99.04430	4.1
105.07011	27.0
107.08543	27.8
109.06499	29.3
109.10141	44.6
111.08051	4.2
114.36346	3.8
117.06982	4.1
119.08541	17.5
121.06477	5.4
121.10083	13.6
123.08064	6.7
123.11692	18.7
129.06836	3.8
130.07785	4.2
131.08568	14.3
133.10114	7.3
135.08049	16.7
135.11667	4.8
137.05946	38.8
137.09723	3.9
137.13293	3.9
139.07556	3.1
142.07710	4.6
143.08536	5.6
145.10121	16.4
147.11667	6.0
149.09613	7.9
151.07562	25.3
155.08566	4.4
157.10071	7.8
159.11681	12.6
161.09639	7.9
163.11258	5.7
165.09038	34.5
173.09642	6.3
175.07558	4.2
175.11211	4.9
177.09111	13.3
179.07117	5.1
179.10658	4.2
187.14787	3.3
189.09099	16.4
189.12799	4.5
190.09454	7.8
191.10594	30.4
203.10724	7.3
205.12247	4.2
235.95978	3.5
369.93628	3.4
413.33994	14.2
417.33130	4.4
431.35019	13.6
441.33588	17.5
448.48950	3.7
459.34946	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
50.86399	2.1
53.03925	3.7
55.05507	55.1
57.06860	2.1
57.07069	39.6
67.05494	30.4
69.07056	100.0
71.04966	4.1
71.08602	21.6
79.05474	20.8
80.68284	2.4
81.07043	93.9
83.04956	3.5
83.08615	44.7
85.10149	13.5
91.05454	14.3
93.07027	45.3
95.04960	4.6
95.08591	81.7
97.06516	2.5
97.10153	18.3
99.04446	15.8
105.07047	24.6
107.08592	37.9
109.06481	16.7
109.10148	42.9
110.13222	3.0
111.04446	3.9
111.08066	2.6
111.11695	6.0
117.06999	3.9
119.04923	3.4
119.08547	19.8
121.10114	31.3
123.08077	4.5
123.11690	22.3
125.05975	39.2
127.03896	25.8
131.08517	12.0
133.10106	10.7
135.08018	3.0
135.11661	12.9
137.05962	64.5
137.13159	3.3
142.07765	3.8
143.08551	4.6
144.09293	4.1
145.10086	16.5
147.11687	5.9
149.05890	3.0
149.09557	3.4
149.13266	21.2
151.07501	19.3
156.09267	3.8
157.10124	21.5
159.11671	15.1
161.09607	2.9
161.13176	3.5
163.11125	4.7
163.14696	3.4
165.09079	5.1
167.06990	5.5
169.10043	3.5
171.08006	13.0
171.11685	10.5
172.08855	3.1
173.09593	22.5
175.07562	2.7
175.11151	10.5
177.09030	9.0
185.09593	25.1
187.11171	18.7
187.19487	2.5
188.08194	5.7
189.09154	5.0
191.10580	3.9
193.08553	4.2
195.11710	2.9
203.10590	21.5
205.12210	4.4
209.62268	2.6
217.12225	9.8
275.27295	29.4
284.98679	2.8
315.30487	3.7
333.31491	11.3
372.86902	2.4
381.31439	5.3
392.24771	2.6
395.32925	4.8
399.32388	10.3
410.60300	2.8
441.33765	18.2
459.29617	3.7
459.34702	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	459.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	50.5
57.03415	3.1
57.07067	45.2
60.64522	2.2
60.72955	2.5
67.05481	33.5
69.03381	2.9
69.07051	87.6
71.04964	3.5
71.08612	26.1
74.90488	2.5
79.05467	14.9
81.07033	100.0
83.04914	5.2
83.08613	40.1
85.10144	13.5
89.57615	2.6
91.05435	15.0
92.08751	4.5
93.07021	51.2
95.08584	77.7
97.06535	4.2
97.10167	22.7
99.04424	6.4
105.07004	29.6
107.08564	37.0
109.06516	19.3
109.10133	43.8
111.04409	5.2
111.11671	5.2
119.08556	20.0
121.10112	36.1
123.08086	4.1
123.11697	22.0
125.05967	44.2
127.03880	21.9
131.08528	4.8
133.10127	12.6
135.08000	6.0
135.11661	19.4
137.05962	53.4
137.09566	4.4
137.13223	3.7
142.07761	4.7
143.08543	6.8
145.10069	10.4
147.11690	5.2
149.09593	6.3
149.13206	19.5
151.07492	25.0
156.09196	4.0
157.10075	13.2
158.10757	3.8
159.11610	19.1
161.09586	3.4
161.13170	4.7
163.14778	4.6
165.09102	13.3
167.07022	11.6
171.08023	5.7
171.11653	5.4
173.09610	19.2
175.07513	5.5
175.11151	5.4
177.09024	6.4
177.12828	3.4
183.11627	3.0
185.09610	29.7
187.11157	12.4
189.09076	5.8
193.08624	3.1
199.11070	5.1
201.12778	3.4
203.10616	18.4
211.14742	3.5
217.12096	4.6
227.14566	2.8
241.15894	3.3
245.15057	2.9
275.27274	26.0
298.98059	3.4
319.54990	2.8
333.31393	5.3
356.53180	3.3
381.31567	3.9
395.32828	5.9
399.32764	3.3
399.84341	2.9
413.58328	2.8
414.01459	2.8
441.33524	17.0
450.58026	2.9
459.34851	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	459.3468
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65365	1.8
53.00305	4.8
53.03923	2.7
55.01881	2.2
55.05507	49.5
56.86256	2.2
57.07068	27.4
61.23074	1.9
62.35811	1.9
67.05487	29.2
69.07059	81.6
71.04977	10.1
71.08627	10.2
79.05479	28.0
79.13186	1.8
81.07041	100.0
83.04975	14.0
83.08610	36.2
85.02905	2.2
85.10173	3.1
91.05473	13.4
93.07042	40.6
95.04958	4.5
95.08586	70.1
97.10151	14.4
99.04443	36.1
105.07025	21.7
107.08584	31.7
109.06503	19.8
109.10154	39.0
111.04439	15.0
111.11703	8.9
113.42925	2.5
117.07082	2.3
119.08567	22.1
121.06516	3.9
121.10120	26.9
123.08076	9.0
123.11703	16.6
125.05975	11.9
127.03904	50.6
129.06918	2.5
131.08546	8.5
133.10143	15.8
135.08086	3.1
135.11685	11.3
137.05957	81.0
137.09592	4.9
137.13275	3.9
141.05484	3.7
142.07724	3.7
143.08521	4.8
144.09329	2.3
145.10132	10.0
147.08092	3.0
147.11678	10.3
149.05991	3.5
149.09554	8.9
149.13254	12.4
151.07541	11.2
153.05466	3.0
155.07010	2.7
157.10139	8.5
159.11673	12.6
161.09560	3.5
161.13173	4.1
165.09152	13.3
167.07008	3.8
171.11726	4.8
173.09644	4.6
173.13248	2.4
175.11124	8.6
177.09103	10.1
181.41405	2.2
183.06502	18.1
184.75037	2.1
185.09575	4.1
188.08353	9.5
189.09113	5.3
189.16302	4.0
189.56000	2.3
199.11096	3.3
203.10628	34.5
207.10214	2.5
209.89378	2.1
235.09676	12.4
275.27176	3.9
315.30374	3.6
333.31464	4.4
381.31342	3.9
399.32516	16.6
417.33667	4.4
441.33548	4.5
459.34671	26.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.3466
Annotation	Unknow
Peak:m/z	Relative Intensity
52.84039	2.1
53.00304	3.8
53.03932	4.0
55.01867	5.5
55.05504	50.0
57.07069	29.8
67.05498	34.1
69.07053	77.0
70.17033	2.2
71.04977	10.9
71.08614	14.5
75.01573	2.1
79.05467	29.1
81.07038	100.0
83.04964	5.3
83.08610	33.8
85.10159	4.5
91.05473	16.6
93.07024	43.7
95.04941	4.8
95.08582	75.8
97.02882	2.6
97.06522	2.9
97.10168	23.0
99.04425	30.6
105.07014	28.7
107.08578	23.1
109.06506	18.2
109.10131	38.9
111.04444	5.0
111.11705	4.4
117.07031	3.9
119.08568	28.1
121.06508	4.3
121.10116	30.6
123.08071	5.8
123.11671	12.6
125.05973	15.9
127.03892	41.5
131.08539	6.0
133.10121	15.2
135.08093	3.8
135.11682	12.8
137.05954	75.4
137.09608	5.8
137.13222	4.8
141.05457	3.3
143.08525	4.4
145.04942	3.8
145.10117	11.5
147.11696	5.5
149.05927	3.1
149.09589	5.2
149.13283	12.2
151.07516	6.0
153.05492	3.0
155.07069	5.6
157.10149	4.0
159.11682	6.2
161.09624	3.2
165.09117	15.1
167.07013	4.5
173.09595	4.2
173.13239	2.7
175.11147	2.9
177.09007	3.7
179.06990	4.9
183.06538	22.2
188.08290	3.1
191.10661	3.9
193.08618	4.1
203.10600	21.4
207.10158	3.2
217.12195	3.4
235.09666	29.6
271.05927	2.7
319.18985	3.2
320.64093	2.6
347.22000	3.5
361.23370	3.0
375.25266	3.2
389.26569	2.9
399.32376	13.4
403.28192	10.5
417.33530	4.4
459.34702	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	459.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.0
58.75508	0.1
67.05487	4.2
69.07048	1.3
73.06562	0.1
79.05457	0.9
81.03399	0.6
81.07030	2.6
83.04947	0.8
83.08594	0.3
85.06520	0.1
91.05451	1.2
92.08598	0.3
93.07004	1.0
95.04917	0.7
95.08577	4.2
97.10114	0.2
101.94895	0.1
105.07013	1.1
107.04895	0.2
107.08572	0.8
109.06470	0.6
109.10133	6.1
111.93139	0.1
119.08560	3.5
120.26484	0.1
121.06460	0.3
121.10126	0.9
122.07250	2.2
123.08148	0.2
123.11655	0.9
129.07031	0.2
131.08533	0.2
135.07988	0.2
137.09586	17.0
147.11685	0.6
148.08475	0.2
149.09581	0.8
149.13191	0.2
159.11656	0.2
165.09068	100.0
166.09378	0.7
175.11107	0.2
177.09123	0.2
183.13684	0.7
188.35135	0.1
205.12228	2.0
273.15024	0.1
289.25238	0.2
300.77783	0.2
307.26178	1.6
393.29102	0.2
426.11600	0.2
441.33542	0.3
459.27551	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17164	0.8
53.03931	2.0
53.27149	0.9
54.33889	0.9
54.81718	0.8
55.01859	1.3
55.05496	11.0
57.03419	1.2
57.07060	2.1
58.79182	0.6
59.04983	1.8
61.02887	0.8
67.05488	17.1
69.03413	14.1
69.07048	14.5
69.65440	0.8
70.06576	1.0
71.04972	5.6
71.08584	0.8
75.33167	0.8
79.05466	5.8
79.22742	1.0
81.03394	5.4
81.07029	19.8
83.04960	9.6
83.08611	9.2
85.02892	16.7
85.06521	5.5
86.09703	1.7
87.00793	7.1
91.05457	6.1
92.09298	0.9
93.07018	12.1
95.04927	2.1
95.08583	37.6
97.02866	3.8
97.06489	1.7
97.10131	0.9
99.04446	2.1
99.08076	4.1
100.11236	9.3
105.01853	1.9
105.07034	8.3
107.08578	23.4
109.02867	4.4
109.06506	12.4
109.10139	100.0
110.06007	1.1
111.04408	0.9
111.08067	4.0
113.09579	1.0
119.08560	31.8
121.10117	14.4
123.04427	4.4
123.08047	14.1
123.11649	8.3
125.09589	1.7
127.03886	5.0
131.08536	1.3
133.10097	23.4
133.91374	1.1
135.11667	94.5
137.09581	15.0
138.10394	0.9
139.11131	1.4
141.11484	1.4
144.59897	1.0
147.11681	1.3
149.13222	7.1
151.11127	11.2
151.14792	10.2
153.12717	3.1
159.02924	1.1
165.09068	2.0
165.16431	1.3
170.57396	1.0
175.14784	36.1
182.15352	2.1
193.15846	44.4
209.16608	1.4
210.14920	2.0
211.14899	1.6
211.16891	41.9
279.19437	1.4
287.44299	0.9
297.17303	0.9
297.20551	1.3
453.91968	0.9
459.25677	1.0
470.30341	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.0
55.01846	0.7
55.05506	9.2
56.96544	0.6
57.03417	1.5
57.07051	3.5
59.04978	1.0
67.05486	16.2
69.03074	0.7
69.03413	12.9
69.07047	14.7
70.30884	0.6
71.04987	5.2
71.08622	0.6
73.02898	0.8
79.05459	4.0
80.51297	0.9
81.03392	4.4
81.06599	1.0
81.07035	21.2
83.04965	9.4
83.08607	8.5
85.02884	9.4
85.06510	2.9
87.00803	4.3
91.05445	4.1
93.06564	0.7
93.07029	11.3
93.11061	0.6
95.04955	2.8
95.08579	33.3
97.02864	3.3
97.06518	1.2
97.10077	2.0
97.94533	0.6
99.04437	0.8
99.08063	2.8
104.94903	0.7
105.01813	0.9
105.07027	6.4
107.08575	20.7
109.02855	3.2
109.06509	9.7
109.10136	100.0
110.67645	0.6
111.08068	3.7
113.09658	0.9
113.97164	0.6
115.20478	0.7
116.98630	0.7
117.07020	0.7
119.07716	0.9
119.08559	23.8
121.10124	10.8
123.04382	1.3
123.08029	12.5
123.11670	9.2
125.09571	1.5
127.03887	5.1
133.10097	19.3
135.11664	74.6
137.09592	17.1
139.11157	2.5
145.04970	0.8
145.10056	0.8
149.09554	0.7
149.13202	6.1
151.11134	10.2
151.14778	11.8
153.05461	4.8
153.12675	2.7
159.02892	0.9
165.09105	5.6
165.16290	1.5
170.80597	0.7
175.13530	0.7
175.14775	25.4
193.15840	32.3
211.16891	59.5
256.09549	1.3
376.23038	0.6
459.25665	1.1
483.89069	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1291
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.6
55.01837	0.5
57.03420	0.7
57.29925	0.4
61.02896	1.0
67.05490	0.7
69.03402	1.0
69.07063	0.7
69.45577	0.5
70.06578	0.8
71.04962	2.0
72.08099	0.9
73.02891	0.9
74.94934	0.4
79.05495	0.4
81.03392	0.6
85.02884	4.2
86.09663	2.4
91.05446	2.0
93.07018	0.6
95.04935	12.6
96.05260	1.0
97.02863	0.6
98.97541	0.8
118.29084	0.5
119.04905	2.4
120.06534	0.6
121.10115	0.5
123.04405	12.7
124.04725	1.2
127.03937	0.6
127.07495	0.7
133.20979	0.5
134.04597	13.8
137.05948	3.3
137.06914	0.5
140.04640	3.3
147.04405	2.1
148.04698	0.6
149.99910	0.7
152.05640	2.5
155.06979	6.3
156.07404	0.6
156.20311	0.5
161.05922	0.5
163.03845	0.4
165.02274	10.9
167.02522	0.5
167.06992	1.0
170.47350	0.5
178.03580	0.6
182.04919	86.8
183.03293	0.5
183.06496	10.3
184.06856	2.5
185.09445	0.5
186.83304	0.5
193.00453	0.6
208.02843	100.0
234.99272	0.5
327.08627	34.2
328.09042	0.6
459.17383	0.7
459.25461	3.6
468.86707	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	459.1281
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56632	0.3
67.01846	0.3
67.05479	0.6
69.03428	0.4
71.04952	0.5
77.43246	0.3
79.05444	0.5
81.07021	1.8
83.04959	0.4
84.13667	0.3
85.02884	2.2
91.05445	0.5
93.07018	1.3
95.04939	0.3
95.08563	1.3
98.97530	0.4
105.06999	0.6
107.08567	1.5
109.02912	0.4
109.10131	0.8
115.05421	0.7
117.06989	3.7
119.08559	1.7
120.08045	1.4
121.10120	0.5
123.04417	1.6
124.72431	0.3
131.04890	0.7
131.08508	0.4
133.10072	0.5
135.11649	0.4
137.09525	0.5
139.03859	1.8
141.06934	0.3
145.06477	8.0
147.04420	0.6
153.01805	11.7
155.06033	1.4
165.09082	2.2
171.02826	1.8
171.04358	1.3
175.00003	0.4
175.14743	0.5
175.53352	0.4
251.07004	0.5
272.01898	0.3
279.06497	0.5
297.07507	100.0
298.07788	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.3989
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21748	10.3
55.05499	22.2
57.73248	9.3
67.03100	9.4
67.05482	25.8
69.07038	14.4
71.04958	12.3
79.05486	16.6
81.07030	100.0
91.05467	23.2
93.07023	88.5
95.08589	68.2
104.34724	11.1
105.07022	71.3
105.67387	9.9
107.08559	51.3
109.10122	40.4
110.08165	10.7
117.06960	13.8
119.08564	62.8
121.10110	21.0
131.08553	16.0
133.10107	22.0
145.10089	12.3
149.13232	20.6
157.10081	14.4
159.08142	12.7
159.11716	21.8
163.14667	11.7
165.31506	10.9
204.87206	11.8
220.73766	14.3
315.26120	13.9
333.02698	14.6
450.13715	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	458.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.68562	0.1
67.05482	0.2
76.04991	0.1
79.05485	0.2
81.24483	0.1
85.02898	0.6
85.06520	0.7
89.70422	0.1
91.05441	0.3
93.07025	1.0
95.04989	0.2
97.02903	0.2
98.06432	0.2
103.05444	4.7
107.04939	1.8
111.87183	0.2
113.05975	0.7
118.45438	0.1
119.93688	0.1
120.08083	100.0
121.08395	0.5
123.35138	0.2
130.08611	0.2
131.04913	3.2
131.07039	0.9
135.04370	0.1
140.20915	0.1
149.05978	1.6
166.08607	28.1
187.39594	0.2
472.75967	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	458.1687
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01867	0.4
55.05500	0.4
57.03436	0.8
57.07071	5.2
59.04987	0.8
60.63020	0.3
61.02921	0.6
63.93758	0.4
67.05472	0.4
69.03421	4.1
69.07057	3.1
70.04066	100.0
71.01339	0.6
71.05014	0.4
73.02908	0.4
79.05463	0.4
81.03411	1.8
81.07040	1.7
83.04972	0.4
85.02900	6.4
89.90923	0.3
93.07030	0.4
95.08614	1.4
95.14610	0.4
97.02867	3.3
99.04487	0.8
99.08076	14.5
105.06992	0.4
107.08585	0.3
109.02882	4.3
109.10167	0.6
117.09136	2.3
121.10181	0.5
123.04375	0.3
127.03912	4.8
129.01033	0.6
131.08560	0.5
133.10065	0.5
133.28847	0.4
134.47519	0.3
141.01093	0.5
165.09117	0.8
182.37988	0.3
195.10182	2.2
225.11217	1.9
227.08273	4.2
239.18460	0.3
243.12329	0.8
260.70331	0.4
261.13345	0.4
266.93103	0.4
424.19302	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.3674
Annotation	beta-Peltoboykinolic acid
Peak:m/z	Relative Intensity
52.52146	1.7
52.64375	1.6
55.05507	16.1
55.34308	1.6
57.07068	25.1
62.41083	2.0
67.05488	9.6
69.07056	22.7
70.06580	10.7
71.08618	10.7
81.07030	37.5
83.08600	12.6
88.07633	18.8
91.05467	3.4
92.09409	3.6
93.07033	12.7
95.08583	67.3
97.10162	2.8
102.09169	4.2
105.07021	14.7
107.08579	25.9
109.06491	2.8
109.10143	33.4
111.11669	3.2
117.85766	1.9
119.08587	20.9
121.10130	29.1
123.08027	3.6
123.11678	21.7
131.08542	3.2
133.10091	24.4
135.11674	17.6
137.13239	27.1
145.10126	11.1
147.07961	3.3
147.11668	15.2
149.09625	2.5
149.13258	4.2
151.14842	2.2
153.09100	2.8
157.10117	2.6
159.11668	8.4
161.13242	8.9
163.14864	2.8
165.09093	9.7
171.11646	4.3
173.13245	7.5
175.11098	3.3
175.14769	19.3
189.12663	2.3
189.16399	4.8
193.12184	2.0
197.13120	2.5
200.20023	29.1
201.16370	2.9
201.20354	8.0
203.14339	2.4
203.17928	2.8
215.17960	2.3
221.15324	3.5
227.17783	2.6
240.49884	2.4
243.21085	22.5
255.21176	2.6
283.26340	28.2
284.26535	14.8
287.19839	2.7
301.21655	10.5
324.40585	2.7
393.35129	4.2
401.82156	1.9
411.36108	47.1
421.34781	2.7
439.35611	100.0
456.43881	21.0
457.36432	42.1
457.44244	26.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.331
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05496	2.1
57.03413	0.3
57.07058	0.3
67.05487	6.2
69.03397	0.8
69.07039	2.0
71.04948	0.5
71.65350	0.2
79.05457	1.6
81.07037	12.4
83.04948	1.3
83.08621	0.5
85.02893	0.8
85.06503	0.4
86.09687	1.9
90.75909	0.3
91.05470	1.5
93.06995	2.5
95.04939	0.5
95.08569	5.7
97.06519	0.5
97.10146	0.4
105.06995	2.1
107.04909	0.5
107.08546	1.9
109.06478	0.4
109.09467	0.5
109.10145	8.3
110.46340	0.3
117.06969	0.4
119.08553	4.5
121.10105	1.7
122.07281	2.2
123.08010	0.5
123.11680	3.6
125.09646	0.5
133.10089	0.6
135.07997	0.7
135.11710	0.5
137.09584	17.0
145.10071	0.4
147.11604	0.5
149.09576	3.2
151.11191	0.3
153.09103	0.5
159.11717	0.5
161.13196	0.4
161.22289	0.4
162.06622	0.5
165.09073	100.0
173.13245	0.5
177.09064	1.6
177.12692	0.4
190.09741	0.5
203.10608	1.6
205.12158	6.5
217.19594	0.3
223.13374	0.4
227.13936	0.4
256.67627	0.3
287.05081	0.4
287.23621	0.4
331.43414	0.3
439.31757	2.1
457.23471	2.7
457.33081	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
50.67836	0.2
53.03938	0.2
55.05499	0.2
56.96544	0.3
59.47196	0.2
63.31600	0.2
70.06567	4.1
73.32014	0.2
75.58639	0.2
85.02871	0.2
85.16629	0.2
86.05487	0.2
86.21926	0.2
87.65475	0.3
91.05441	1.4
92.08572	0.3
93.07030	4.5
93.38245	0.2
95.04939	0.9
97.02869	0.3
98.06348	0.3
103.05440	3.6
106.09935	0.2
107.01981	0.2
112.07589	3.3
116.07056	1.0
121.06477	100.0
122.06798	1.7
135.72112	0.3
138.09109	28.9
147.04343	0.3
158.08070	3.7
163.03877	0.4
265.81271	0.3
275.52042	0.3
279.76288	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	457.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41291	0.3
53.03926	0.4
55.01842	0.4
55.05491	2.1
57.03413	0.4
57.07055	0.5
65.03925	0.4
65.29620	0.4
67.05489	2.7
68.99770	0.4
69.03114	0.4
69.03416	5.8
69.07044	3.0
71.04975	0.6
79.05470	5.5
80.09901	0.4
80.59772	0.3
81.03382	1.8
81.07043	8.8
83.04955	1.7
83.08589	0.7
85.02884	4.0
87.00809	1.6
89.89130	0.3
91.05455	5.5
92.08675	0.5
92.64653	0.4
93.07010	3.7
95.04933	2.0
95.08578	2.4
97.02872	1.7
97.06480	0.4
99.04417	0.6
105.01852	0.5
105.07001	7.8
107.04942	3.5
107.07859	0.8
107.08569	19.9
109.02849	1.6
109.06490	3.9
109.10128	8.6
110.54929	0.4
113.70781	0.4
115.05429	0.9
117.06994	2.2
119.06043	0.8
119.08549	3.8
121.06461	2.0
121.10110	16.5
122.07282	6.4
123.04394	2.0
123.08057	0.8
125.09585	0.5
127.03938	2.7
131.08522	2.4
133.10095	100.0
134.10474	0.6
135.08023	9.4
135.11673	0.8
137.09587	58.4
139.03835	0.6
143.08511	0.4
145.10095	2.1
147.11664	1.7
149.09624	1.5
149.13246	9.6
151.11171	0.6
153.01807	4.3
158.10867	2.1
163.14772	0.8
167.07034	0.5
171.11617	0.5
173.13220	4.6
191.14267	32.9
209.15352	3.5
235.70128	0.4
270.87961	0.4
287.05457	1.9
295.15219	0.6
457.24738	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	457.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
51.53567	2.3
53.03935	4.7
55.05498	3.6
55.79724	2.5
57.03419	3.9
57.07075	3.3
58.48817	2.5
63.01827	2.3
64.93101	3.0
67.05503	11.0
69.03417	68.3
69.07046	15.8
79.05497	6.8
81.03388	11.3
81.07040	17.8
83.04957	5.3
85.02892	18.3
86.09679	3.2
87.00822	3.8
91.05470	11.3
93.07020	20.8
95.08582	21.6
97.02891	12.4
97.06524	5.3
105.07011	7.3
107.08597	18.7
109.02890	4.0
109.06536	10.8
109.10202	4.0
111.08092	4.9
119.08539	4.2
121.06496	5.6
121.10126	22.5
123.04413	31.3
123.08071	5.3
123.11640	3.5
125.09587	28.6
127.03884	14.0
131.08528	5.4
133.10135	5.6
135.08035	15.1
135.11699	6.1
139.03885	60.8
143.08562	3.6
145.10045	3.4
146.16434	3.2
147.04341	3.5
147.11671	20.6
149.09621	12.2
149.13287	6.3
151.03862	3.5
153.01826	4.0
153.09050	5.1
158.42163	3.1
163.14825	4.6
164.51930	3.1
165.09102	11.4
165.12778	3.4
173.13214	28.6
187.24976	2.9
191.14284	100.0
209.15315	61.9
294.17584	4.2
295.17868	4.3
448.22308	3.2
457.23050	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	457.1104
Annotation	CHEBI:70257
Peak:m/z	Relative Intensity
50.29284	0.7
50.56995	0.8
54.02855	0.6
54.63126	0.6
55.05518	0.8
55.71807	0.7
57.03432	1.2
59.79985	0.8
61.80214	0.7
67.05492	0.9
68.97510	0.7
69.03423	1.4
69.07052	1.2
71.04978	7.7
71.16832	0.8
81.07027	1.7
83.04955	0.9
85.02884	11.5
85.06580	0.8
93.06996	1.6
95.08583	1.9
97.02901	1.0
105.07037	0.9
107.08613	0.9
119.08600	1.2
123.04403	5.4
129.05493	1.0
129.62555	0.9
133.10104	1.7
137.05980	1.0
151.03909	1.7
153.01805	3.6
183.84898	0.9
287.05588	1.3
311.05289	6.8
335.82858	0.9
417.21750	1.0
457.10959	100.0
457.24179	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	456.28
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59890	0.5
55.05504	2.7
55.79281	0.7
57.03428	15.2
61.02910	3.3
67.05504	0.8
69.03412	3.9
71.01338	0.6
71.04975	75.4
73.02900	3.5
75.04453	3.7
78.29840	0.6
79.05492	0.6
81.03379	0.9
81.07040	0.7
83.04965	10.3
84.16511	0.5
85.02888	100.0
87.04458	1.2
91.05476	0.7
95.04972	0.7
97.02885	5.2
99.04430	1.4
105.07008	0.7
109.02870	2.6
109.10133	0.9
111.04431	4.3
121.10097	0.7
127.03904	4.8
129.05447	22.8
135.32813	0.5
137.13365	0.6
145.04953	3.9
147.06497	10.3
163.03848	0.7
164.09169	3.6
174.46454	0.6
249.16243	0.6
259.09653	1.1
273.09564	0.8
276.85657	0.6
309.11725	1.2
413.45590	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	456.2802
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.3
55.01862	0.6
55.05504	2.6
56.96560	0.4
57.03426	11.7
57.03691	0.6
57.07064	0.4
59.04990	0.7
61.02915	2.6
61.58486	0.3
67.05482	0.3
69.03418	4.1
69.07053	1.6
71.01340	1.3
71.04974	75.0
73.02910	3.0
74.53314	0.3
75.04466	5.1
79.05467	0.8
81.03397	1.8
81.07042	0.5
83.04968	8.0
85.02887	100.0
87.04465	2.5
89.46928	0.4
91.03919	0.5
91.05461	0.4
92.09308	0.6
93.06988	0.6
95.05009	0.3
97.02871	4.9
97.06510	3.4
99.04439	2.2
101.05995	0.4
101.15201	0.3
103.03899	0.6
107.04927	0.5
107.08584	0.3
109.02834	1.6
111.04423	3.6
119.08601	0.4
123.04427	0.8
124.04705	0.5
127.03902	4.5
128.94847	0.3
129.05449	23.7
130.83723	0.4
135.04395	0.8
139.98302	0.4
142.33427	0.4
145.02794	0.6
145.04939	4.4
146.08211	0.4
147.04388	0.6
147.06505	13.3
153.39333	0.3
163.03871	4.4
163.05963	1.7
164.09103	2.9
172.01489	0.3
173.84187	0.4
191.07040	0.6
212.68480	0.4
237.07484	0.5
255.08508	0.7
259.09567	3.7
273.09546	1.3
277.10611	1.5
295.18796	0.4
309.11649	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	455.2386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.68490	0.1
55.01862	0.1
57.03423	0.1
61.02892	0.3
67.05493	0.1
69.03412	0.8
69.07040	0.3
70.06557	0.2
71.04970	0.6
72.93762	0.1
73.02869	0.1
79.05474	0.2
81.03387	0.3
81.07030	0.6
83.08595	0.2
85.02889	1.8
86.09708	0.2
87.00807	0.1
91.05452	0.4
92.09338	0.2
93.07013	0.9
95.04949	0.1
95.08570	0.4
97.02865	0.5
97.06503	0.1
99.04408	0.1
103.05395	0.1
105.07007	2.2
107.08566	0.4
108.08914	0.1
109.02856	0.1
109.10139	0.4
117.06998	0.3
118.06522	0.3
119.07291	5.7
119.08597	0.4
123.08073	0.1
123.11686	0.1
127.03904	0.2
132.95822	1.1
133.08846	0.1
133.10121	0.5
134.09627	100.0
134.97403	0.1
135.09967	0.6
135.11626	0.3
138.91757	0.1
142.07651	0.1
144.95824	0.1
145.05005	0.1
147.04427	0.2
147.11649	0.4
149.05925	0.1
150.96838	0.6
153.12750	0.5
154.13046	0.1
162.96892	0.1
174.96844	1.0
175.11134	0.1
175.26086	0.1
197.98621	0.1
221.19032	0.1
263.03705	0.1
293.18521	16.8
294.18741	0.2
335.05673	0.4
335.19797	0.1
347.05612	0.1
350.13116	0.1
353.06760	0.2
390.67703	0.1
437.22943	0.2
455.15073	0.3
455.23026	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	455.1333
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13588	0.2
51.35005	0.3
54.49619	0.3
54.81946	0.3
54.82214	0.3
55.05489	0.6
56.96552	1.2
57.03434	0.4
61.02902	0.6
65.03920	0.6
67.05487	1.6
69.03416	2.5
69.07053	0.7
71.04966	0.5
73.02889	0.4
78.69977	0.3
79.05457	0.5
81.03387	0.8
81.07038	1.7
85.02884	2.4
85.06504	0.5
91.05457	13.3
92.09300	0.3
93.06992	1.4
95.04956	0.7
95.08599	0.7
97.02854	0.7
97.06490	0.4
98.97547	0.3
105.07014	1.5
106.33369	0.4
107.08575	1.5
109.02796	0.4
109.10109	1.3
119.04915	39.9
119.08594	0.5
121.10092	0.8
123.04383	3.3
123.11678	0.5
127.03906	0.4
133.10068	0.4
139.03874	0.5
145.10077	0.4
147.04382	100.0
165.05417	0.4
171.11572	0.3
189.00691	0.3
229.47464	0.4
241.07288	0.7
267.09171	0.5
273.07458	0.5
285.10046	2.8
294.71371	0.4
420.74774	0.4
438.97089	0.3
455.21826	0.6
470.90857	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3736
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24563	1.2
53.20722	1.3
55.05515	10.9
57.06815	2.5
57.07070	47.5
67.05491	3.6
69.07038	6.3
71.08299	1.8
71.08621	29.2
73.06538	5.7
79.05489	2.6
81.07039	12.9
83.08590	3.7
85.10172	23.6
87.04434	2.5
88.69972	1.5
89.06015	100.0
91.05454	3.5
93.07024	12.4
95.08597	8.7
98.98444	3.1
105.07000	5.9
107.07071	5.9
107.08587	7.4
109.10140	3.4
119.08578	5.7
121.10126	2.3
131.08633	1.7
133.08588	34.7
133.10136	2.0
135.11673	2.4
152.66901	1.7
155.17888	1.9
163.12689	1.5
177.11205	10.2
212.23813	1.6
243.23129	7.2
283.17340	12.4
319.68451	1.6
339.28897	1.9
437.34689	35.4
454.37119	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.3007
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65490	3.7
55.01842	5.1
55.05507	31.2
55.23159	3.3
56.96537	7.2
57.07059	7.1
59.05014	3.2
60.08556	3.8
61.02923	5.1
67.05476	34.1
69.03401	18.8
69.07050	52.5
71.04971	4.6
73.02932	3.5
76.56242	4.3
79.05467	4.5
79.66993	3.2
81.03386	6.8
81.07038	82.8
83.08613	43.8
85.02882	36.3
85.06533	7.7
91.05484	8.0
93.07013	16.6
95.04931	9.4
95.08581	45.6
97.02866	18.3
97.06518	6.4
97.10127	35.2
99.04437	5.6
99.08071	5.0
103.96425	4.6
105.07023	16.8
107.04942	9.3
107.08556	15.7
109.06494	4.9
109.10139	100.0
111.08028	5.7
111.11714	16.9
119.08576	16.8
121.10120	20.8
123.04383	7.4
123.11661	56.4
124.04790	3.5
125.09600	15.7
127.03911	5.5
127.11181	39.4
132.40303	4.1
139.11137	5.5
143.10721	4.2
147.11684	9.4
151.03900	19.7
152.04161	4.7
157.12228	7.4
163.03964	4.4
163.14830	4.4
179.17937	16.8
181.05011	5.6
189.90451	4.1
203.17928	30.2
221.18939	29.1
226.97112	4.3
229.32042	4.3
239.19991	96.5
257.21109	8.0
267.08960	5.5
285.10010	21.2
303.08533	22.3
304.08926	33.1
325.09302	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	454.3008
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.5
55.05503	32.8
56.96545	2.4
57.03416	2.7
57.07052	9.9
61.02908	3.7
61.40374	1.3
65.03941	2.0
67.05490	28.5
69.03402	9.8
69.07052	55.2
71.04949	7.6
71.08613	2.6
72.95957	1.5
79.05472	6.6
81.03360	3.3
81.07034	71.1
83.04983	1.9
83.08601	35.2
84.84232	1.4
85.02884	20.0
85.06521	7.9
91.03934	2.7
91.05437	8.4
93.07007	11.8
95.04944	2.8
95.08577	48.7
97.02876	3.9
97.06520	8.2
97.10151	32.3
99.08048	2.4
100.11213	2.4
105.07011	13.8
107.08569	21.2
109.10137	92.4
111.08050	10.2
111.11740	11.7
113.09602	2.5
119.04903	6.7
119.08566	8.5
121.10103	16.9
123.11675	60.0
125.09589	8.7
127.03902	2.2
127.07690	1.7
127.11162	37.5
133.10078	7.1
135.08046	2.3
135.11717	3.1
137.13249	3.2
139.11122	12.6
145.04950	1.7
145.10068	1.9
147.04398	3.4
147.11688	17.8
149.13225	3.9
151.11148	2.5
151.14816	1.7
157.12202	8.0
161.13231	8.4
163.14714	3.0
165.12724	7.6
173.38013	1.7
175.14760	3.1
178.78528	1.5
179.03300	2.8
179.17932	13.1
180.03729	2.0
183.13742	2.4
203.17938	26.3
221.18974	34.8
239.19989	100.0
257.21027	10.7
285.09866	2.9
353.77026	1.7
383.79193	1.9
472.71378	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2922
Annotation	16:0 LYSO-PE
Peak:m/z	Relative Intensity
51.15836	1.6
57.03423	8.8
57.07065	33.1
62.06079	20.4
67.05505	3.6
69.07064	2.6
71.08614	20.8
81.07040	10.2
83.08588	8.3
85.10166	12.8
95.08581	12.8
98.98442	11.5
109.10160	3.1
116.13895	2.0
120.30536	2.2
155.01057	4.7
164.39046	2.4
185.18216	2.2
282.27829	10.8
313.27286	100.0
366.09561	2.4
378.66409	2.1
393.23901	9.0
403.17685	2.3
454.28802	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14491	1.1
53.40275	1.3
54.81528	1.2
55.05502	10.9
57.01771	1.3
57.03427	12.3
57.58796	1.2
61.02893	2.4
67.05479	6.7
69.03390	5.9
69.06741	1.6
69.07055	18.9
70.83624	1.1
70.99980	1.3
71.04973	79.9
73.02875	3.1
73.20434	1.1
75.04462	3.2
76.52951	1.3
81.03416	2.3
81.07028	9.1
82.07338	1.4
83.04954	8.9
83.08588	5.6
85.02886	100.0
86.09676	1.4
87.04408	2.6
91.05425	1.6
91.28804	1.3
92.08664	4.0
92.47408	1.3
93.07008	5.4
95.08584	7.6
97.02843	5.4
97.06520	1.8
97.10136	1.4
99.04417	2.8
107.04906	1.3
107.08574	2.5
108.74673	1.7
109.10152	6.7
109.51644	1.3
111.04431	6.5
111.11736	2.2
119.08530	1.9
121.10095	1.9
123.11681	2.2
127.03906	2.7
129.05447	23.2
133.10133	1.8
135.11588	1.8
147.06511	11.7
147.11671	1.8
163.06049	2.2
164.09041	1.7
184.07249	2.2
192.45247	1.6
203.17720	1.6
207.11322	1.4
241.78513	1.4
285.10068	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.0
55.01854	0.8
55.05494	2.2
57.03427	1.1
59.57681	0.5
61.02905	1.0
66.99609	0.5
67.05486	1.4
69.03413	4.3
69.07048	1.1
71.04967	5.4
72.05315	0.7
79.05461	4.5
81.03382	0.6
81.07037	7.4
83.08600	2.9
85.02893	12.7
85.06528	1.2
88.37191	0.6
91.05455	5.7
93.07017	6.3
95.04939	3.5
95.08588	4.2
97.02868	4.1
97.06478	0.8
100.11210	6.3
105.07017	5.5
106.07350	0.7
107.04933	80.3
107.08579	3.9
109.02914	1.0
109.10127	3.8
111.04436	2.7
112.84421	0.6
116.06879	0.6
119.04908	1.1
119.07847	0.8
119.08537	6.8
121.02837	2.5
121.10110	12.1
122.10471	4.1
123.04400	9.8
123.08008	0.7
123.11677	0.9
125.05967	5.2
125.09618	3.6
127.03876	0.9
127.11144	0.7
131.08549	0.7
133.06465	1.3
133.10092	6.8
133.11638	0.6
134.10411	1.1
135.05478	1.5
135.08069	0.6
135.11679	1.1
137.05948	100.0
143.10672	4.5
144.74561	0.7
145.10120	1.1
147.08017	51.0
147.11653	0.8
148.11191	0.9
149.13225	0.8
151.07504	9.8
151.11130	1.1
153.01842	1.2
154.02121	0.8
159.11584	1.2
161.02885	0.7
162.13597	0.8
163.07510	2.5
179.07007	1.2
182.15364	2.5
189.16376	1.4
203.07094	0.8
207.17438	0.7
209.16411	1.5
210.14885	1.2
219.17416	1.4
220.17786	0.8
237.18410	2.5
238.18817	1.0
255.19528	2.6
257.11630	7.7
275.12671	0.7
292.07877	0.6
337.64270	0.7
372.70602	0.7
453.34308	4.5
454.34592	3.5
455.22363	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21642	0.2
53.03930	0.5
55.01857	0.2
55.05486	0.3
57.03419	1.1
61.02914	0.9
67.05475	0.4
69.03416	2.3
69.07044	0.3
70.06574	1.2
71.04972	1.5
73.02898	0.2
79.05472	2.7
81.03396	1.3
81.07026	1.0
85.02888	9.1
85.06521	0.4
91.05460	1.1
92.09406	0.5
93.07018	0.9
93.95474	0.2
95.04957	2.2
95.08580	0.8
96.91122	0.2
97.02850	2.2
99.04416	0.4
105.04480	0.3
105.07002	1.3
107.04935	64.8
108.05301	0.2
109.02858	1.0
109.06510	0.3
109.10093	0.4
111.04432	0.4
113.80806	0.2
119.08596	0.3
120.08057	0.3
121.06469	0.4
121.10126	0.4
122.03600	0.4
123.04413	3.2
125.05961	3.8
127.03895	1.1
133.06461	7.0
133.10092	0.4
135.05472	1.9
137.05949	100.0
138.06268	0.5
145.04936	0.5
147.08022	9.9
148.43600	0.2
151.07504	4.4
151.11131	0.3
160.84761	0.2
163.07494	0.5
173.05846	0.4
177.40672	0.2
229.59460	0.2
257.11655	5.6
275.12601	1.0
315.10925	0.2
323.12619	0.4
413.47198	0.3
419.17059	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
54.65393	0.3
55.01852	0.6
55.05503	0.3
63.13949	0.2
65.03887	0.3
67.05468	2.1
69.03410	0.3
72.39021	0.3
75.47886	0.3
79.05466	2.5
81.07034	1.4
83.04971	0.4
91.05443	0.5
92.08578	0.6
93.06998	0.4
95.04934	0.7
95.08566	0.7
97.06478	0.6
103.05421	1.7
105.03343	0.5
105.06971	0.4
107.04926	10.7
107.08537	0.4
109.69889	0.3
111.04388	0.4
119.08540	0.4
121.02808	5.9
121.22894	0.3
125.05991	0.7
131.04907	5.0
133.02832	0.4
135.04385	15.8
137.05919	1.4
142.07690	0.3
145.06450	0.3
145.10078	0.4
149.95723	0.3
153.05431	32.3
157.06451	0.4
163.07487	0.7
165.05424	100.0
170.07265	0.7
171.08006	0.5
181.06392	2.6
185.05917	1.8
187.07607	0.5
193.04901	7.9
197.05890	0.6
198.06708	1.9
199.07498	0.4
209.05873	1.3
210.06754	1.5
213.09013	0.6
226.06197	11.4
227.06958	1.6
236.04514	0.3
239.03275	1.3
241.08549	6.1
254.05655	21.0
255.06378	4.4
269.07999	40.6
287.09045	71.8
288.09277	0.4
437.15533	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63727	0.2
51.81817	0.2
54.29226	0.2
56.96548	0.2
57.03416	0.5
61.02905	1.1
69.03407	2.3
71.04982	0.4
73.02867	0.2
74.39035	0.2
81.03405	0.5
84.04461	0.2
85.02890	5.4
89.03925	0.2
97.02895	1.8
103.13521	0.2
109.02858	1.1
116.98586	0.2
120.08085	3.8
121.06458	0.2
127.03886	100.0
128.04279	0.4
132.50514	0.2
136.31464	0.2
145.04927	0.5
147.04491	0.2
163.03908	0.4
166.08629	0.5
177.11304	0.2
237.02988	0.3
289.09058	3.5
475.69873	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	454.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	0.5
56.96569	0.5
57.03408	0.4
61.02916	0.8
65.03923	0.5
67.05477	2.2
69.03403	0.5
69.07038	0.9
71.04952	0.6
73.02890	0.5
79.05466	2.2
80.02184	0.5
81.03391	0.6
81.07030	3.3
85.02876	0.7
91.05446	0.7
92.09257	0.7
93.07029	0.8
95.04947	0.9
95.08593	1.9
98.97539	0.5
100.21599	0.4
103.05442	0.6
105.07026	0.6
107.04942	10.3
107.08549	0.5
109.06473	0.7
109.10143	0.9
119.08571	0.7
121.02855	5.5
123.08047	0.5
125.05950	0.6
131.04909	4.9
135.04396	13.1
137.05896	0.9
151.03911	0.5
153.05438	28.0
163.07620	0.6
165.05440	100.0
169.06343	0.6
170.07217	0.9
181.06357	0.7
185.05980	0.7
193.04912	6.6
198.06696	2.7
201.49095	0.5
210.06717	0.6
226.06195	10.7
227.07039	2.0
237.91789	0.6
241.08647	4.6
241.10760	0.6
254.05676	19.4
255.06448	4.1
259.11905	0.6
269.08017	39.8
287.09082	77.2
335.66568	0.5
386.69540	0.5
437.15704	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	1.1
51.68372	0.6
53.03939	5.1
53.93533	0.7
55.01856	1.0
55.05502	0.7
56.96553	0.6
60.28214	0.6
62.56385	0.6
65.03936	1.0
66.84236	0.7
67.01865	0.7
67.05484	3.6
69.03409	1.0
69.07040	1.2
74.93186	0.7
77.03909	2.7
79.05467	2.6
81.03418	0.9
81.07024	3.2
85.02888	2.9
91.05459	1.4
93.03407	2.6
93.07019	3.0
95.04945	21.0
95.08571	1.8
99.48550	0.7
100.11252	0.7
103.05434	1.5
105.04482	3.5
105.07013	1.0
107.04919	5.6
107.08570	1.4
108.02092	0.7
109.06490	0.8
109.10148	1.0
111.04422	1.1
111.08081	0.8
113.02335	4.2
115.03885	0.8
119.08548	0.7
121.02828	0.9
121.06461	1.1
121.10062	0.8
123.04397	23.9
125.05939	3.3
131.03395	5.7
131.04915	3.0
131.08549	1.4
137.02292	1.3
137.05917	7.2
138.03079	1.2
139.03876	3.2
141.06934	0.9
147.04420	1.2
147.11766	0.7
151.03880	33.7
151.05101	1.1
153.05446	25.3
157.06448	3.4
159.08061	1.0
161.05940	1.0
167.06993	1.0
169.06448	1.2
171.04384	2.8
172.05151	1.0
175.03891	0.7
175.07446	1.0
181.04927	16.4
187.07547	2.9
197.05957	1.2
197.10817	0.8
201.05441	1.2
215.07018	4.2
217.04945	0.9
225.05350	0.8
228.04034	1.4
242.05562	1.4
243.06442	3.9
249.07500	3.1
253.05016	0.9
257.08038	24.5
259.06183	1.0
271.05905	1.5
273.03616	0.8
285.07541	6.1
291.15775	1.0
302.92944	0.7
303.08566	100.0
315.99863	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1541
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	0.7
53.03928	4.6
55.01852	1.5
55.05502	1.5
56.96512	0.6
65.03917	0.8
66.78716	0.7
67.01871	1.1
67.05487	4.0
68.99780	0.8
69.03428	1.1
69.07037	2.8
78.49397	0.8
79.05489	3.4
80.96906	0.7
81.03392	1.1
81.07041	5.0
83.04958	0.9
83.08607	1.0
85.02884	3.3
91.05444	3.3
92.08720	1.8
93.03380	3.9
93.07018	1.6
95.04945	19.0
95.08566	3.5
96.98698	0.9
97.02873	0.8
97.06494	1.3
99.11858	0.7
103.05445	3.6
105.04482	3.6
105.07014	1.8
107.04926	12.6
107.08578	3.5
108.02086	3.0
109.06500	1.4
109.10127	1.9
109.87370	0.7
111.04426	1.0
113.02340	6.5
115.05373	1.0
119.08569	1.5
121.02886	0.9
121.10113	1.2
123.04399	25.5
125.05956	3.9
126.39619	0.7
131.03384	11.6
131.04866	6.3
135.11684	1.3
136.01523	0.9
137.02325	1.5
137.05962	8.5
139.03867	3.9
143.08496	0.9
151.03877	34.6
151.05080	1.3
153.05438	40.8
157.06465	8.4
157.10138	0.9
161.05945	1.8
163.07521	1.2
169.06401	3.3
171.04358	8.5
175.07538	1.0
181.04913	18.1
187.07489	4.3
197.05942	3.4
200.04582	0.8
201.05403	1.1
209.97032	0.9
215.06992	2.0
217.04892	1.0
225.05313	1.3
228.04042	1.2
242.05673	3.6
243.06523	4.1
249.07372	2.7
257.08020	50.5
260.06848	0.9
271.05978	1.8
273.03949	1.2
275.09082	1.8
285.07455	12.0
303.08591	100.0
391.35699	0.8
435.65176	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1383
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
51.02367	0.2
53.03937	0.8
55.01866	1.4
55.05505	0.3
57.03417	1.0
57.78490	0.1
61.02911	1.2
62.19258	0.2
64.33087	0.2
65.03915	0.7
67.05486	1.3
68.99780	0.8
69.03414	3.9
69.07040	0.3
71.04959	0.7
72.08095	0.2
73.02889	0.2
74.02414	0.4
78.92071	0.1
79.05453	0.4
81.03397	2.7
81.07032	0.8
83.04961	1.4
85.02885	9.3
87.04443	0.4
88.03961	0.4
91.05455	1.0
93.03371	0.8
93.07006	0.7
95.04938	2.1
95.08582	0.4
97.02869	3.6
97.06495	0.4
98.52776	0.2
98.97530	0.2
99.04427	0.7
99.08120	0.2
105.03349	0.4
105.07014	0.4
107.04913	1.5
107.08550	0.3
109.02875	1.2
109.06478	0.2
109.10152	0.3
111.04416	3.0
113.05975	0.4
115.05466	0.2
117.06938	0.2
119.04147	0.2
119.04921	4.2
121.02823	0.3
121.06470	0.2
121.10087	0.4
123.04398	42.3
125.05945	0.8
125.09638	0.2
127.03870	1.7
129.96342	0.2
130.06497	13.8
133.06465	0.3
134.04492	1.1
135.04373	1.5
137.05934	1.0
139.03874	100.0
140.04613	1.2
143.04869	0.8
143.07230	0.4
144.08060	2.6
145.04929	0.7
145.10130	0.2
147.04382	15.7
147.11736	0.2
149.05939	0.2
151.03893	2.3
151.11195	0.3
152.70206	0.2
153.05411	0.3
155.06966	0.4
158.95810	0.2
161.05940	2.9
163.03889	1.8
165.05429	7.3
167.07042	0.4
169.04926	0.4
170.05780	0.2
172.07491	2.0
177.05380	0.7
179.06982	0.8
179.08461	0.2
181.04938	0.4
185.04022	0.2
189.05457	1.0
195.08038	0.4
199.05974	0.8
199.07570	0.3
205.04936	0.8
207.06485	1.3
227.07036	0.2
229.08583	0.8
237.18423	0.2
273.07492	4.7
291.08591	7.7
291.12363	1.0
335.41791	0.2
435.12863	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1387
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
50.25437	0.3
51.85605	0.4
55.01853	2.4
56.96553	0.7
58.65970	0.4
61.02936	0.4
65.03919	0.8
67.05480	1.9
68.78689	0.4
68.99788	0.6
69.03402	1.1
81.03403	0.7
81.06996	0.5
83.04956	1.1
85.02901	4.0
91.05457	1.9
94.91225	0.4
95.04946	4.1
97.02857	1.0
99.04416	0.6
107.08597	0.5
111.04415	3.0
115.05437	0.7
119.04906	7.3
123.04408	61.0
127.03903	1.9
133.06491	0.7
135.04337	0.8
137.02304	0.9
137.05971	1.0
139.03883	100.0
139.91792	0.5
143.04895	2.9
147.04391	24.1
151.03848	3.1
161.05969	8.0
163.03915	3.7
165.05443	11.7
169.04955	1.0
177.05394	0.8
179.07059	3.4
181.04987	1.1
189.05476	2.4
207.06516	5.9
221.96393	0.5
273.02771	0.8
273.07437	1.8
291.08569	23.8
296.75916	0.4
330.58417	0.5
385.65262	0.5
453.13480	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1389
Annotation	Epicatechin 3-O-beta-D-allopyranoside
Peak:m/z	Relative Intensity
53.03931	0.5
55.01858	0.5
61.02917	0.5
61.28811	0.3
65.03924	0.5
65.38968	0.4
67.05476	2.0
67.08143	0.3
68.99743	0.9
69.03392	1.7
79.05523	0.3
81.03402	0.5
83.04951	1.6
85.02888	4.1
91.05438	1.7
91.97115	0.4
93.03400	0.8
95.04944	4.0
97.02859	2.1
97.06506	0.7
98.97579	0.4
105.07008	8.5
106.07324	0.8
107.04932	2.6
109.02869	0.4
111.04424	2.6
113.05950	3.6
115.05424	0.6
119.04898	5.4
121.02835	0.6
122.09653	2.0
123.04399	52.9
125.05949	1.7
127.03864	1.5
131.04860	0.5
133.06381	0.6
135.04381	1.4
136.54840	0.5
137.05933	0.8
139.03874	100.0
141.05414	1.9
143.04898	1.7
145.04919	0.5
147.04384	21.2
151.03850	3.1
151.07501	0.5
153.05420	0.7
157.06418	0.8
161.05943	7.6
163.03847	2.7
165.05437	9.3
169.04900	0.8
177.05438	1.9
179.06998	2.7
181.04970	0.5
189.05463	1.9
190.96231	0.5
197.01324	0.4
207.06508	6.8
229.77490	0.4
249.07440	0.8
291.08569	20.0
291.11874	1.0
363.21570	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	453.1178
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	2.0
55.05504	11.1
56.62015	1.6
57.03421	4.3
57.07062	14.1
61.02909	1.7
65.03925	2.5
67.05496	21.7
69.03411	11.1
69.06167	1.6
69.07054	13.6
70.06561	2.6
71.04972	17.2
72.08158	1.8
73.02885	2.3
79.05475	13.0
81.03416	2.7
81.07029	33.8
83.04958	3.6
83.08620	3.3
85.02892	19.2
85.06525	82.8
89.03927	3.5
91.05450	10.4
92.09282	3.4
93.03376	8.3
93.07007	15.1
93.16451	1.7
95.04953	8.2
95.08578	23.2
97.02882	2.7
97.06503	4.5
97.10152	2.8
100.11220	2.6
105.06998	13.7
107.04957	21.4
107.08600	17.4
108.05272	2.5
109.02876	1.8
109.06474	2.2
109.10126	20.5
111.08063	2.6
119.04875	12.9
119.08598	7.9
121.02811	2.5
121.06479	2.0
121.10126	18.0
123.04404	82.9
123.08052	1.9
123.11693	7.5
124.04752	3.3
127.03914	3.6
133.10130	13.2
134.10388	2.5
135.04413	23.2
135.11678	12.3
137.02312	58.0
137.05989	15.0
139.03874	14.3
139.11148	1.9
140.04276	2.6
143.04926	3.4
145.02776	2.9
145.10107	10.9
147.04396	21.9
147.11650	4.5
149.13344	2.9
151.07512	11.6
153.01811	11.7
153.12730	4.4
159.04376	2.1
159.11739	2.3
161.05957	12.9
161.13203	2.3
163.03868	45.4
163.11143	11.7
165.01755	3.2
165.05431	28.9
171.02910	2.7
171.04362	2.6
179.03360	4.0
179.06973	3.9
181.12234	21.4
183.02873	3.3
185.05922	2.1
187.03831	3.4
189.09091	2.5
191.03355	100.0
193.12173	1.9
195.08113	1.9
199.13391	3.9
202.16635	2.0
205.04997	2.9
207.06503	8.8
213.05409	4.1
219.17485	8.4
221.04306	2.4
237.18427	23.4
238.18777	4.2
241.04979	2.7
255.10098	2.2
255.19502	8.7
255.23228	2.5
256.16107	2.4
259.05997	10.5
271.05939	11.7
287.05423	7.8
289.06601	3.4
290.07184	2.4
291.08078	3.4
291.11887	2.2
301.06940	38.1
313.03802	2.5
313.06961	20.2
317.06552	9.7
343.07932	13.6
361.02271	7.7
377.01373	2.7
379.03177	2.9
405.19031	2.3
411.10486	8.8
453.11774	2.3
453.21243	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	452.3211
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	31.2
57.03403	2.1
57.07055	8.2
58.21059	1.1
59.04981	1.6
61.02911	2.0
65.72296	1.5
67.05488	67.5
68.07372	1.3
69.03413	6.6
69.07050	27.3
71.04976	14.5
71.08595	1.9
79.05470	28.0
81.03388	2.4
81.07031	100.0
83.04964	7.6
83.08606	21.9
85.02882	26.0
85.06514	5.7
91.05455	5.5
93.07018	34.0
95.04947	1.8
95.08578	85.3
97.02851	2.3
97.06524	6.6
97.10134	8.7
101.05977	14.6
103.67018	1.3
103.82424	1.4
105.07000	6.0
107.04936	6.0
107.08555	21.4
108.05245	1.7
109.02804	1.6
109.10127	40.1
111.04427	6.6
111.08059	5.0
111.11652	1.9
115.07537	2.2
119.08511	2.2
119.94315	1.3
121.10114	36.4
123.11677	21.5
129.05440	5.8
133.10144	1.4
135.04401	5.6
135.11653	30.9
137.13237	9.9
145.04941	1.3
145.10071	1.8
147.06529	2.7
149.13206	11.5
151.03906	1.3
151.14754	2.0
151.94792	1.5
163.14771	6.0
165.05440	10.1
165.16382	13.1
166.05812	3.1
169.96640	1.2
170.29866	1.3
175.14786	3.4
192.81232	1.4
193.15855	9.1
195.06514	3.3
196.06746	2.1
211.16971	10.1
215.51022	1.7
219.21011	20.7
229.17888	11.7
237.22047	10.6
255.23087	31.6
273.24152	6.9
301.10559	2.9
302.10983	7.0
311.31638	1.5
331.68802	1.5
436.88324	1.4
466.05212	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.10897	1.0
55.01852	1.5
55.05495	13.6
57.03415	1.4
57.07061	2.2
59.04967	1.2
60.08148	1.4
61.02919	1.8
62.17701	1.4
67.05500	18.7
69.03402	8.1
69.07050	50.8
71.04956	6.4
75.31236	1.3
78.00483	1.5
79.05464	10.2
81.07040	64.3
82.07374	1.7
83.04948	2.1
83.08590	7.4
85.02891	14.6
85.06516	6.8
86.09696	6.0
91.05467	5.9
93.06999	25.6
95.04913	2.3
95.08581	57.2
97.02860	3.4
97.06497	9.1
97.10142	12.8
98.39557	1.4
99.08076	2.6
103.05460	2.1
104.10722	8.4
105.07018	8.0
107.04952	2.5
107.08573	29.8
109.02838	1.9
109.10131	46.7
111.08064	8.7
111.11691	3.0
111.41541	1.4
119.08546	10.0
121.10117	66.4
122.60613	1.5
123.04411	14.4
123.08025	5.9
123.11674	16.1
124.99982	2.0
125.09596	6.1
127.03896	1.6
131.04939	2.5
131.08597	1.5
133.10098	3.7
135.08025	2.7
135.11668	15.1
135.26213	1.6
137.05959	2.2
137.09563	3.2
137.13214	3.7
139.11153	8.2
145.10115	8.7
149.05943	15.6
149.13242	1.7
151.07509	1.7
151.11153	6.4
159.11670	11.0
161.13193	5.7
163.11151	9.2
167.10677	1.9
175.14722	2.1
177.16383	16.8
181.12184	9.4
184.07304	8.7
191.17876	3.6
201.16324	19.8
203.08006	1.6
219.17328	12.9
237.18448	41.6
255.19485	100.0
273.11151	2.5
273.20621	2.3
379.50198	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	452.2852
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	19.9
56.83770	2.8
57.03422	18.9
57.07064	4.1
57.34325	2.8
57.92397	2.8
60.78504	2.5
61.02917	7.4
61.97669	2.9
67.05493	40.9
69.03419	17.1
69.07062	50.7
70.06597	3.5
71.04977	48.9
72.60505	3.1
73.02896	19.5
79.05473	24.3
81.03387	6.1
81.07040	88.0
82.07381	6.1
83.04958	7.8
83.08597	15.2
85.02892	51.4
85.06508	11.7
86.09695	15.4
89.06014	6.7
91.05457	17.0
93.07022	57.3
94.07355	5.7
95.04957	7.3
95.08588	75.0
96.08910	7.1
97.02869	22.4
97.06500	14.5
97.88485	3.1
99.04463	3.2
99.08035	13.0
103.05450	6.8
104.10706	6.3
105.07024	28.5
106.07316	3.5
107.08571	46.3
108.08889	3.2
109.06509	6.6
109.10145	53.1
111.08104	4.7
115.03894	4.8
119.08553	16.8
120.08910	4.6
121.10114	43.5
123.04414	42.9
123.08054	4.7
123.11655	24.0
125.00024	4.1
125.09599	17.1
127.03901	6.8
131.04915	27.6
131.08553	4.3
133.10112	14.7
135.08012	4.7
135.11682	16.0
135.64035	3.5
136.11989	3.6
137.05949	14.7
137.09581	4.2
139.11154	3.9
140.39409	3.2
145.04993	3.3
145.10155	6.5
147.11664	14.4
149.05948	64.7
149.13237	55.4
151.07545	12.4
151.11124	12.1
159.11755	4.4
161.13222	4.8
162.13538	5.8
173.13120	4.4
175.14897	4.1
177.16385	7.0
179.14270	3.6
184.07336	26.0
191.17979	11.8
201.16380	7.2
219.17444	22.9
236.17122	4.9
237.18454	94.9
254.18262	3.7
255.19458	100.0
271.18930	15.7
272.19342	17.4
273.11191	14.1
273.20383	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	452.2851
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
55.05495	11.0
56.02094	1.3
57.03430	2.6
57.07058	3.9
57.37672	1.5
59.01711	1.6
61.02916	1.9
62.49177	1.3
66.32154	1.4
67.05492	17.7
69.03414	11.3
69.07053	37.3
71.04971	9.1
79.05464	14.5
81.03450	1.6
81.07034	74.5
83.08600	8.5
85.02886	14.2
85.06516	8.0
86.09682	7.0
86.81335	1.5
91.05446	6.4
93.07024	27.5
94.78404	1.6
95.04936	2.9
95.08004	3.1
95.08578	62.6
97.02877	3.7
97.06520	7.3
97.10139	12.1
97.35630	1.9
99.08088	2.2
104.10722	3.4
105.07017	9.8
107.08574	43.1
108.08871	2.0
109.06490	2.5
109.10139	52.3
109.10851	2.8
111.08048	9.4
111.11707	3.8
119.08569	8.6
121.06508	2.6
121.10117	86.0
123.04413	6.4
123.08076	3.6
123.11674	17.6
124.99937	3.3
125.05920	1.9
125.09614	6.3
131.08524	2.9
133.10106	7.9
135.11662	16.1
137.05963	2.7
137.09601	3.8
137.13283	2.5
139.07550	1.7
139.11145	9.4
145.10066	11.6
147.04355	2.6
147.11673	2.5
149.09615	2.0
149.13208	7.0
151.11174	9.9
159.11641	15.1
161.13216	3.7
163.11104	13.1
167.10487	1.6
175.14859	3.3
177.16344	22.9
181.12155	15.9
184.07349	10.1
191.17944	10.3
201.16368	28.2
219.17342	19.0
237.18436	53.7
244.15332	2.1
247.30092	1.7
255.19490	100.0
272.14676	3.1
273.20474	1.8
290.15662	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	452.285
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61264	1.0
53.00302	1.5
53.84474	1.2
55.01593	1.4
55.05498	8.1
57.03408	1.3
57.07066	5.7
57.69508	1.3
67.05505	10.5
69.03408	2.7
69.07056	13.7
71.04610	1.7
71.04973	29.3
77.57393	1.5
79.05467	8.3
81.03387	1.5
81.07043	25.5
83.04958	1.6
83.08595	2.4
85.02879	10.5
85.06548	2.6
86.09645	1.5
89.06006	8.0
91.05471	2.7
92.08614	2.5
93.07019	25.1
95.08581	22.5
97.02852	1.9
97.06520	3.2
97.10129	2.0
105.07008	7.6
107.04939	1.9
107.08569	29.5
109.06537	2.9
109.10144	23.5
109.90986	1.5
111.08078	2.6
112.52219	1.4
113.09612	1.8
119.08557	7.5
121.06376	1.6
121.10124	16.8
123.08046	3.0
123.11694	9.2
125.09627	11.2
125.39285	1.5
127.03923	1.8
131.04932	2.7
133.10095	7.3
135.11656	10.1
137.05965	12.7
139.11133	2.5
144.10266	1.8
145.10115	2.5
147.11691	11.0
149.06027	2.4
149.13239	46.1
151.11159	6.0
159.11613	2.7
161.13258	1.7
163.11195	1.8
177.16284	2.5
181.12213	2.3
191.17966	2.0
201.16331	2.8
219.17415	17.6
237.14819	2.2
237.18439	63.6
254.24840	1.7
255.19490	100.0
290.15829	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	452.2849
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14735	0.8
52.15272	1.0
53.00301	1.8
53.03933	0.9
54.81658	1.0
55.01852	1.2
55.05266	1.8
55.05506	26.5
57.03429	14.9
57.07058	1.9
58.03757	1.4
59.04984	2.5
61.02895	1.9
67.05486	8.4
69.03416	10.9
69.07055	9.4
70.06573	2.1
71.01340	1.1
71.04977	100.0
72.05311	18.9
73.02893	1.7
73.06527	2.5
75.04445	1.7
78.47160	1.0
79.05073	1.1
79.05466	10.3
81.03381	1.5
81.07041	26.5
83.04964	22.0
83.08597	2.1
85.02889	78.7
85.06531	4.5
86.03230	13.9
87.03324	1.9
87.04421	1.5
91.05441	11.6
93.07019	29.2
95.04928	9.4
95.08579	17.0
97.02864	5.2
97.06507	7.8
99.04428	1.7
99.08081	2.6
102.57355	1.0
103.84782	1.1
105.07020	29.7
107.04939	17.5
107.08573	23.9
109.02795	1.1
109.06493	4.8
109.10150	14.4
111.04385	1.6
111.08050	4.6
113.05981	1.7
117.06985	4.9
119.08568	13.7
121.02842	1.3
121.06509	2.2
121.10126	43.9
123.04424	12.2
123.08051	2.3
123.11664	5.9
124.04736	5.3
125.09613	9.7
125.89672	1.1
127.03911	2.2
127.11209	4.0
129.05463	8.1
130.05765	2.1
131.08533	13.4
133.10106	97.7
135.04350	4.7
135.07986	1.6
135.11664	19.4
137.05960	42.0
137.09523	1.4
137.13203	1.7
138.43433	1.1
139.11096	8.4
143.10648	9.3
145.10115	18.1
147.04440	2.0
147.11671	14.2
149.02290	5.7
149.13239	5.5
150.02631	2.3
151.11159	7.3
151.65576	1.1
153.01807	18.1
153.12738	12.7
154.02119	5.0
159.11682	12.5
161.05914	1.4
161.13213	2.7
163.03882	2.2
163.11124	2.6
167.06931	8.5
167.14259	2.5
169.98534	1.1
173.13242	1.6
177.12732	2.8
179.14073	1.7
181.12126	1.2
191.03355	6.6
191.17961	4.4
195.02840	2.4
196.03145	1.3
201.16315	14.4
219.17368	21.7
231.06470	2.0
232.06775	5.3
237.18445	78.2
255.15767	1.6
255.19534	6.3
259.05984	1.8
260.06226	4.4
263.09076	1.7
273.10999	2.0
303.04941	4.3
304.05185	6.7
305.05630	10.1
306.05954	15.3
321.29706	1.2
425.03470	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47174	0.7
53.03961	0.7
55.01869	1.2
55.05502	11.4
56.05844	0.8
57.03425	24.6
57.07065	3.5
60.16974	0.7
61.02910	5.4
67.05492	38.0
68.83689	0.6
69.03416	3.2
69.07051	13.9
71.01333	3.3
71.04976	6.3
73.02899	1.6
79.05470	29.3
81.03391	4.9
81.07041	26.6
83.04963	10.5
83.08610	3.4
85.02885	10.5
85.06539	7.0
86.09697	3.6
91.03940	1.5
91.05463	15.2
93.07020	43.1
94.19712	0.7
95.04952	4.3
95.08586	12.8
97.02868	4.1
97.06509	11.5
97.10143	10.9
99.04446	1.3
99.08085	1.7
105.07043	4.0
105.15855	0.8
107.04912	6.7
107.08576	33.5
109.06498	1.5
109.10130	9.8
111.08040	1.5
117.07001	4.0
119.08582	6.9
121.06477	1.3
121.10121	12.6
123.04413	4.0
123.08016	1.1
123.11680	1.4
125.09622	3.4
133.10094	4.6
135.08060	1.4
135.11671	56.1
137.05936	1.4
137.09621	1.2
139.11191	1.0
145.10107	9.8
147.11653	1.0
149.05922	1.1
153.12679	1.8
154.06012	0.9
163.07527	1.2
163.11128	7.6
177.16364	1.0
181.12192	12.5
184.07364	1.8
232.27197	0.8
237.18446	5.4
243.37885	0.8
252.69223	0.9
255.15862	100.0
256.16299	1.4
263.09113	1.1
345.11505	0.9
392.16510	0.9
417.21097	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.2
54.07639	0.3
54.44607	0.2
55.01867	1.5
55.05508	1.4
57.03428	1.8
58.37503	0.3
59.04990	0.5
61.02911	1.9
67.05500	1.4
69.03412	5.3
69.07054	0.7
71.04980	3.9
73.02882	0.4
79.05463	2.8
80.72982	0.3
81.03400	2.1
81.07033	5.0
83.04972	0.5
83.08555	0.4
85.02884	16.3
85.06541	0.7
86.09720	0.4
87.00790	0.3
88.06245	0.3
91.05471	1.7
93.07015	3.4
95.04958	1.5
95.08583	2.8
97.02860	4.0
97.06528	0.7
99.04429	1.6
99.08083	0.4
105.07006	3.1
106.16799	0.3
107.04934	100.0
107.08585	3.9
108.05262	1.4
109.02861	1.6
109.06512	1.5
109.10137	1.9
111.08046	0.8
113.05965	0.4
115.05468	0.4
117.07018	0.8
119.04908	0.6
119.08553	1.5
121.02923	1.3
121.06463	1.9
121.10101	2.0
123.04407	3.4
123.08040	0.5
123.11671	0.6
125.09611	1.2
127.03852	2.6
127.11190	1.4
129.06960	0.8
131.04887	2.9
131.08565	1.9
133.10101	2.9
133.26089	0.3
135.04385	78.0
135.11639	0.5
136.07527	0.3
137.05939	1.4
137.09694	0.4
139.03879	0.6
141.06941	1.2
143.10667	0.8
144.32266	0.4
145.04958	1.6
145.06477	6.1
145.10109	1.6
147.04390	1.4
147.11705	0.6
149.02350	3.5
149.05946	5.9
149.13116	0.4
150.02628	1.3
151.11154	1.3
153.01802	3.9
154.02164	1.9
157.06442	1.3
159.04352	2.9
159.08023	0.7
159.11679	1.3
161.05910	0.6
161.09560	0.4
161.13269	0.6
163.03828	0.4
169.06480	0.4
169.12193	2.1
171.04491	1.1
173.05971	1.7
174.06720	1.9
175.07431	1.1
177.05450	0.4
177.12761	0.4
185.06050	0.4
189.09052	3.5
189.16364	0.4
201.05473	1.7
201.09035	1.7
201.16435	0.8
215.06999	2.8
216.07323	2.0
219.10136	0.4
219.13741	0.4
219.17384	1.6
225.05402	0.3
227.68513	0.3
235.16975	0.4
237.14857	0.8
237.18399	1.7
242.52831	0.3
243.06491	0.7
244.06786	0.6
245.17188	1.2
254.09019	0.4
255.10088	5.7
255.15878	0.8
271.05872	0.4
272.06158	1.2
273.08212	0.6
273.11130	19.0
289.06824	1.7
290.07260	2.2
293.13773	8.4
399.14114	0.5
475.33612	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06151	0.1
63.98481	0.1
73.84579	0.2
79.05479	1.3
85.02879	0.8
95.04942	0.4
103.05456	1.2
105.07015	100.0
106.07330	0.4
116.43546	0.1
122.09647	29.6
125.74815	0.2
126.59330	0.1
127.12428	0.2
127.85711	0.2
128.18932	0.2
128.91444	0.2
139.03896	0.2
144.27325	0.2
145.04962	0.2
151.03885	3.5
169.05013	1.2
384.90271	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	452.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97022	0.3
53.05375	0.3
55.01860	0.4
55.05489	0.4
57.03405	0.5
57.07057	0.4
62.45200	0.3
67.05492	3.7
69.03410	1.5
69.07041	1.8
71.04967	0.8
75.05774	0.4
79.05466	1.7
81.07023	3.7
82.07357	0.4
83.08575	0.6
85.02885	3.7
85.06522	0.7
86.09673	2.0
87.22244	0.4
91.05437	0.7
93.07019	2.2
95.04934	3.8
95.08585	3.5
97.02878	0.6
97.06480	0.4
97.10130	0.5
103.05446	7.6
104.10725	1.5
105.07005	0.6
107.08571	1.5
109.10132	2.1
121.06519	0.4
121.10121	2.2
123.04400	100.0
123.11674	1.6
124.99994	0.8
130.74828	0.4
131.04898	33.9
131.99352	0.4
133.10098	0.6
135.11707	0.7
137.05940	1.6
145.04871	0.4
149.05960	3.7
149.09592	0.4
149.13261	0.6
151.07486	2.6
161.13301	0.5
163.07498	8.4
165.05441	0.5
167.10757	0.4
177.16316	0.5
184.07251	2.7
225.53775	0.4
237.18576	0.7
255.19444	0.6
258.89154	0.4
261.77875	0.4
273.11130	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	452.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05926	0.3
53.03929	1.3
55.01854	1.6
55.05497	1.4
57.03416	1.9
61.02911	2.5
67.05479	1.9
68.76011	0.3
69.03413	4.5
69.07052	1.6
69.12474	0.3
70.06601	0.7
71.04961	4.0
72.08109	0.3
73.02899	0.6
76.66792	0.3
79.05459	1.7
81.03393	2.4
81.07035	4.2
82.10003	0.3
83.04960	0.5
85.02882	14.9
85.06516	1.4
86.09639	0.5
87.00813	0.5
91.05431	1.8
93.07003	3.4
95.04937	2.1
95.08580	1.8
97.02863	4.6
97.06492	0.6
99.04432	1.6
103.03952	0.4
103.05443	0.4
105.01904	0.5
105.07019	2.6
107.04929	100.0
107.08580	3.7
108.05301	1.4
108.75727	0.3
109.02848	1.9
109.06499	1.3
109.10140	3.3
111.04393	0.6
111.08086	1.3
115.05404	0.4
117.06947	1.4
119.04875	0.6
119.08553	2.5
120.08041	0.6
121.02830	0.4
121.06470	2.2
121.10090	1.7
123.04388	4.4
123.08007	0.4
123.11679	1.3
125.05890	0.4
125.09581	1.7
127.03882	2.2
127.11175	0.5
129.06927	1.4
131.04915	2.5
131.08521	1.4
133.06418	0.4
133.10083	3.5
135.04378	82.0
135.11639	0.6
137.05969	0.6
137.09547	0.4
139.03864	0.8
141.06985	0.6
143.10631	1.7
144.05676	0.4
145.04898	0.6
145.06456	4.6
145.10110	2.3
147.04381	1.5
147.11646	0.7
149.02328	3.3
149.05930	5.2
149.09552	0.5
150.02629	0.8
151.09102	0.4
151.11142	2.6
153.01814	3.7
153.09016	0.4
153.12350	0.3
154.02129	0.7
157.06450	0.5
159.03091	0.3
159.04324	2.6
159.07996	0.7
159.11674	1.4
161.05948	0.7
161.13142	0.4
163.11200	0.4
169.12212	1.9
171.04393	0.5
173.05885	1.3
173.13217	0.4
174.06694	1.4
175.07448	0.8
177.05379	1.5
179.03368	0.4
185.05893	0.4
186.06525	0.3
189.05334	0.4
189.09041	3.2
191.14330	0.5
197.06029	0.3
201.05373	1.4
201.09047	0.7
201.16267	0.7
207.54601	0.3
215.06935	2.8
216.07289	1.9
219.10088	0.5
219.13821	0.4
219.17412	1.3
235.16873	0.4
237.14702	1.3
237.18442	1.8
243.06464	1.7
244.06757	0.8
244.16968	0.4
253.17888	0.4
255.10129	5.3
255.15886	0.8
261.07407	0.6
272.06345	0.8
273.11111	17.8
273.16699	0.4
289.06912	0.6
290.07312	2.4
293.13779	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	452.1315
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13360	1.9
53.03927	2.4
53.49250	1.9
55.01859	5.5
55.05514	3.9
57.03432	18.9
61.02919	9.1
69.03409	21.5
69.07049	2.4
70.72173	2.2
71.04973	27.2
72.08125	2.8
73.02897	30.0
74.03259	2.2
79.05467	2.9
79.87627	2.4
81.03396	9.6
81.07043	10.2
81.69106	2.1
83.04966	3.1
85.02890	78.6
86.03243	3.4
87.04457	3.5
91.05444	12.5
92.08632	2.6
93.07019	18.9
95.04936	5.7
95.08605	9.5
95.51212	2.1
97.02884	17.1
97.06509	4.4
99.04449	3.1
101.05975	3.1
103.03880	3.0
105.07014	5.5
107.04914	4.3
107.08602	8.8
109.02837	5.3
109.06499	4.5
115.03909	12.4
119.08508	3.6
121.02853	5.1
121.06465	11.5
121.10111	4.3
123.03139	4.4
123.11683	3.0
124.70448	2.5
125.05981	3.9
126.01044	97.3
126.05492	2.7
127.03899	12.6
128.72137	2.2
129.05484	3.3
133.10098	3.0
133.68063	2.7
137.05965	5.6
139.03841	4.6
139.74414	2.4
140.03381	12.2
144.02097	100.0
145.04961	5.7
149.05954	11.4
151.07458	2.5
151.11157	2.2
152.21414	2.6
153.01903	2.9
153.05443	33.9
153.12737	2.2
166.06236	3.9
167.07100	3.9
177.05435	10.6
181.08578	56.9
184.07285	47.2
197.08093	3.0
199.09592	24.7
229.08455	3.1
237.11244	4.3
237.14696	4.3
273.13397	18.8
306.07306	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	452.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01847	1.4
55.05502	6.5
56.96555	3.7
57.03426	12.6
57.07051	1.7
66.85293	0.7
67.05487	18.3
68.05831	1.1
68.23412	0.7
69.03415	3.2
69.07057	6.4
71.04972	65.1
71.08605	0.8
72.05300	3.2
73.02892	1.3
75.04472	1.1
76.01150	0.7
79.05486	12.7
81.07032	26.2
82.07378	1.7
83.04967	3.3
83.08601	3.3
85.02883	59.1
85.06530	5.3
86.03217	1.4
87.04446	1.7
91.05488	6.3
93.07018	15.0
94.07369	1.5
95.08577	21.5
96.08915	1.2
97.06488	1.5
97.10148	1.0
99.08064	1.8
101.06045	0.8
104.94726	0.7
105.07007	6.3
107.08572	9.8
108.08871	0.9
109.06504	0.8
109.10167	7.5
111.04375	0.9
111.08076	1.1
119.08521	5.8
121.06464	1.2
121.10117	10.5
122.10449	1.5
123.11703	3.9
128.21547	0.8
129.05428	7.4
133.10100	4.9
134.10522	0.9
135.11664	10.0
136.11975	1.7
137.13196	1.5
147.11644	3.3
148.11980	0.9
149.13237	3.3
161.13237	3.6
162.32588	0.8
175.14711	1.0
177.16408	1.0
201.00607	0.8
217.19530	3.9
235.20584	1.6
237.18652	2.3
253.21632	4.3
255.19556	1.1
271.22565	8.5
272.23032	3.1
287.05402	21.4
288.05768	3.2
289.23608	1.3
324.99893	6.7
343.01062	9.9
358.70081	0.9
361.02206	100.0
362.02576	15.1
379.03265	55.0
379.08224	1.1
380.03650	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	451.3415
Annotation	Stellattasterenol
Peak:m/z	Relative Intensity
51.34522	0.2
51.71791	0.2
54.81822	0.2
55.01867	1.4
55.05490	0.4
57.03411	0.2
57.07068	0.2
64.43232	0.2
67.05481	0.8
69.03432	0.2
69.07043	0.9
75.45455	0.2
78.59064	0.2
79.05447	0.4
81.07046	1.7
82.07347	0.2
83.08587	0.4
91.05479	0.2
93.07040	0.3
95.08575	1.0
97.10138	0.2
99.00777	0.4
99.04434	3.7
103.46815	0.2
105.06978	0.3
109.06468	0.2
109.10091	0.4
111.04420	3.2
113.06725	0.2
119.08521	0.2
123.11674	0.4
125.05964	11.4
137.05890	0.2
141.05444	4.4
153.05446	100.0
167.07018	0.8
225.12662	0.2
282.20981	0.2
345.41473	0.3
353.01038	0.2
415.31918	3.1
433.33026	17.3
451.28363	0.4
451.33984	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	451.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00314	1.2
53.03941	1.8
55.01873	3.1
55.05506	29.2
56.96553	1.8
57.03429	16.1
57.07066	7.6
58.74150	1.3
59.04983	1.7
59.77770	1.3
67.05138	2.8
67.05492	71.0
67.05850	2.6
69.03416	3.5
69.07050	26.9
71.04974	61.0
79.05471	58.9
79.05901	2.8
81.07034	100.0
83.04971	7.8
83.08595	13.6
85.02888	56.6
85.06532	17.2
87.04438	2.1
91.05460	34.6
93.07024	67.7
95.04944	2.8
95.08582	88.0
97.02864	3.0
97.06487	18.2
97.10144	6.5
99.04439	2.0
99.08059	8.4
101.05976	5.0
105.07011	28.3
106.07386	1.6
107.08571	39.3
108.08945	1.7
109.10145	32.6
111.08074	2.8
115.07521	6.1
119.08548	22.0
121.10112	50.9
123.11673	15.4
125.09617	2.1
127.03802	1.6
127.07518	1.6
129.05466	5.7
133.10100	23.3
135.11665	46.1
137.13268	2.6
139.11043	2.0
141.61226	1.4
145.10121	2.0
147.11633	21.4
148.12050	3.1
149.13254	20.1
151.11165	1.9
151.14743	2.5
161.13197	14.8
163.14783	2.9
166.09314	1.7
175.14777	6.5
177.16280	2.0
189.16377	2.7
207.17328	2.3
217.19507	20.6
235.20520	10.5
236.13632	3.0
253.18927	2.2
253.21510	27.0
254.14767	1.9
254.18242	2.1
271.22644	34.5
277.28513	1.6
287.02316	2.8
287.05408	25.3
289.23709	8.5
325.00290	2.7
334.35373	1.7
343.01227	7.6
361.02234	91.1
379.03290	50.1
438.11679	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.29
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.6
55.01870	5.0
55.05505	28.6
56.96538	1.3
57.03427	13.8
57.07063	5.2
61.02898	1.8
67.05136	3.0
67.05491	77.6
69.03416	7.6
69.07053	35.1
71.04974	45.0
71.05363	1.3
71.08603	1.8
73.02883	1.3
73.06536	1.3
73.86967	1.3
76.55939	1.3
79.05470	52.9
81.03426	1.7
81.07035	100.0
83.04944	9.1
83.08589	14.2
85.02888	37.4
85.06528	29.8
86.09716	1.4
87.04414	2.2
91.05446	31.5
92.09245	3.0
93.07024	70.6
95.04946	5.1
95.08578	82.1
97.02839	1.8
97.06514	15.3
97.10155	8.4
98.97544	1.9
99.08060	9.5
101.06012	2.9
105.03368	2.5
105.07005	24.5
107.04966	2.2
107.08569	40.9
109.02822	1.9
109.06535	2.2
109.10135	42.8
109.10842	2.5
110.82142	1.4
111.08062	6.2
113.09654	1.9
115.07607	1.8
117.06986	1.4
119.08531	24.3
119.09299	2.0
121.06431	1.9
121.10120	54.5
123.04426	1.7
123.08050	2.0
123.11670	12.5
125.09597	2.1
129.05441	1.8
131.08534	2.1
133.10106	21.6
135.08043	1.4
135.11668	49.1
135.97551	1.4
137.05936	2.2
137.13229	2.5
145.10139	2.1
147.04407	3.1
147.11673	20.5
147.80031	1.1
149.13266	18.2
151.11154	2.9
153.01840	3.0
153.05478	2.3
161.13274	12.9
163.03897	2.2
163.14772	5.6
165.12759	2.1
173.13190	1.6
175.14793	7.4
177.16379	3.2
189.16374	1.7
190.16653	1.6
191.17747	1.4
191.65102	1.4
217.19492	21.5
227.67188	1.4
235.20479	12.0
247.09761	1.5
253.21581	31.0
254.18265	2.7
271.22620	39.7
287.05344	11.5
289.06705	3.1
289.23676	8.8
308.88687	1.4
361.02216	36.6
379.03360	17.4
388.17001	1.6
399.33447	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.2901
Annotation	Eurystatin D
Peak:m/z	Relative Intensity
52.05648	2.1
55.05508	66.5
57.03423	6.3
57.07066	17.6
61.02918	2.8
64.33616	3.2
64.33926	2.4
64.50189	2.3
67.05502	52.1
69.03418	5.6
69.07059	100.0
69.35428	2.1
71.04981	10.2
71.08622	3.5
79.05483	25.2
81.07046	84.1
83.04974	5.5
83.08113	3.6
83.08607	64.9
84.69789	2.1
85.02920	22.1
85.06524	11.1
89.67933	2.3
91.05453	21.9
92.64486	2.5
93.07043	36.9
95.04954	3.3
95.08595	90.5
97.02860	2.5
97.06519	17.8
97.10162	59.2
99.08081	4.8
105.07015	21.5
107.04911	4.1
107.08583	35.2
109.06512	3.8
109.10138	40.0
111.08055	5.3
111.11710	17.4
113.09634	2.5
117.06945	3.7
119.08565	27.2
121.10113	41.0
123.08037	4.6
123.11681	23.9
125.09594	3.7
127.51555	2.5
133.10127	31.8
135.11681	34.5
137.05959	4.3
137.09593	6.0
137.13243	6.1
139.11174	6.0
145.10068	2.7
147.11682	22.8
149.13255	4.7
151.11203	6.3
151.14687	3.8
153.01822	6.1
153.12813	3.3
160.02446	2.5
161.13229	16.9
163.03842	3.4
165.12737	3.7
175.14815	4.5
179.14252	3.6
181.12209	5.5
197.23918	2.8
217.19525	35.8
235.20540	58.8
251.61775	2.9
253.21587	64.4
271.22717	35.1
294.31296	2.6
448.71393	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	451.2898
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	3.5
55.05504	60.2
56.96555	2.0
57.03430	5.8
57.07054	14.9
67.05148	2.5
67.05493	59.8
69.03395	11.2
69.07060	100.0
69.83726	2.1
71.04965	12.1
71.08610	3.0
78.19940	2.1
79.05479	28.0
80.08790	2.5
81.07040	94.3
82.92381	2.3
83.04973	11.1
83.08601	57.2
85.02908	16.7
85.06525	9.2
87.01832	2.4
91.05481	23.1
93.07033	47.5
95.04958	5.2
95.08588	82.1
97.02904	2.5
97.06505	17.2
97.10151	47.3
99.04398	2.3
99.08088	4.2
105.07005	21.7
107.04940	3.7
107.08575	34.3
109.06511	3.5
109.10140	49.5
111.04378	3.1
111.08049	4.8
111.11725	20.9
119.08585	23.8
121.10133	39.6
123.08044	2.6
123.11672	15.4
125.09568	4.8
131.08565	4.2
133.10104	26.7
135.11649	28.6
137.05930	4.5
137.13251	9.4
139.11153	10.4
147.11682	25.9
148.14525	2.3
149.13231	9.7
151.11093	5.5
151.14804	3.6
153.01770	24.0
153.12697	5.3
157.12172	3.0
161.13263	24.6
163.03893	4.9
164.07077	3.5
165.12682	9.3
167.06912	3.2
175.14757	6.0
179.14290	5.8
181.12175	4.0
189.16370	3.8
193.19569	2.4
194.10867	2.6
217.19490	34.2
235.20555	43.3
253.21561	79.2
271.22620	41.3
274.61063	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	451.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11699	0.3
50.98134	0.3
51.06155	0.3
53.03928	1.0
55.01867	1.1
55.05515	0.3
67.05482	2.0
67.06722	0.4
69.03396	0.5
69.23895	0.4
70.06589	0.4
74.09712	0.4
79.05474	7.7
81.03388	0.4
81.07022	2.1
91.05439	2.4
93.07034	0.6
94.04169	0.6
95.04930	3.4
97.02851	1.0
107.04940	14.0
109.06502	9.7
115.03919	0.6
119.34501	0.4
121.06485	6.2
128.06088	0.5
131.03377	1.6
135.04390	19.7
137.05954	100.0
139.03938	0.5
139.07507	2.0
151.07523	11.7
152.07860	0.7
159.12849	0.4
165.05438	62.8
169.08545	0.5
173.61049	0.5
178.24426	0.4
179.06953	0.5
188.08272	0.8
200.73103	0.4
201.09102	1.9
205.08617	0.5
211.07552	0.5
213.09099	1.7
215.07004	10.8
219.10109	0.8
227.06970	1.0
232.07388	0.6
241.08490	0.6
247.09560	8.3
255.06438	12.5
269.07938	3.0
270.08731	0.7
271.09744	0.6
283.09439	0.7
301.10641	93.4
302.11081	0.8
369.75430	0.4
432.35608	3.2
433.35864	1.8
450.36688	2.1
451.17358	22.4
451.37454	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27277	0.5
53.03949	0.8
55.05503	0.8
57.33892	0.5
67.05484	1.4
79.05470	9.8
80.15794	0.6
81.07028	3.8
88.09142	0.6
90.99090	0.6
91.05461	3.4
92.08649	0.8
93.07046	1.3
95.04952	3.0
105.07008	1.4
107.04927	16.4
109.06520	10.2
110.01137	0.7
113.02305	0.7
119.08577	1.2
121.06469	5.3
131.03291	1.0
135.04388	18.8
137.05960	100.0
139.07516	0.8
145.06424	0.7
151.07516	12.4
158.47000	0.8
159.08047	0.7
165.05440	69.2
178.12286	0.9
201.08995	1.0
213.09119	1.1
215.07016	8.2
219.10051	1.1
247.09602	9.9
255.06468	13.0
269.08047	1.2
283.09595	1.2
301.10651	88.9
302.11026	0.8
323.75879	0.8
451.10880	1.3
451.17493	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	451.1595
Annotation	4-Methoxyphlorizin
Peak:m/z	Relative Intensity
53.03946	3.3
55.01833	2.8
55.05501	4.6
57.03405	4.3
57.90986	2.3
67.05486	11.5
69.03400	13.5
69.07046	5.9
71.04967	4.1
73.02889	1.9
77.03936	2.1
77.30225	2.1
79.05470	5.4
79.72251	2.1
81.07030	24.8
83.08590	3.4
85.02898	29.9
86.09656	4.5
91.05436	11.8
93.06998	14.2
95.04945	4.8
95.08579	16.8
97.02888	5.1
97.06479	5.7
99.04398	2.6
105.07001	11.5
105.88705	3.0
107.04958	3.1
107.08568	10.9
109.10111	8.7
119.08533	9.0
121.06487	3.6
121.10087	4.4
123.08002	3.2
127.03855	3.8
131.08501	3.4
133.10017	4.3
134.89890	2.7
134.99738	2.4
135.11613	3.0
137.05940	4.5
142.07745	3.0
147.11703	4.0
151.07487	4.3
163.03775	4.3
165.05446	6.0
173.09529	3.7
184.07246	11.7
189.08998	4.1
191.10629	18.9
201.09029	2.4
203.06877	4.6
204.07802	5.2
205.08539	3.1
213.05455	3.0
213.09171	3.2
217.08595	3.3
219.10110	40.4
228.07753	4.9
229.08443	10.7
231.06393	9.9
232.07146	4.4
240.96738	2.7
243.10182	3.9
245.08131	4.1
246.08656	3.3
247.09595	97.1
254.18274	3.1
255.06316	3.7
256.07269	3.5
257.07941	3.4
259.09271	2.6
261.11151	4.6
271.09586	38.1
274.08459	2.7
287.09055	5.8
289.10629	100.0
301.10544	3.3
451.15668	2.6
451.22437	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1556
Annotation	Unknow
Peak:m/z	Relative Intensity
52.86987	1.0
53.00312	1.9
56.93265	1.1
57.03428	39.2
59.04991	6.9
60.04526	2.3
62.60480	0.9
63.04395	0.9
69.03415	100.0
70.06593	1.4
71.04984	17.1
71.59091	0.9
71.96796	1.1
73.02901	2.6
75.04464	7.5
78.61844	1.2
79.05431	1.4
81.03408	1.7
81.07016	1.9
84.81400	1.0
85.02892	79.9
87.04451	58.4
89.06043	1.1
91.05475	2.2
93.07015	2.1
95.04943	2.0
95.08574	1.7
97.02878	51.7
105.95124	1.1
107.04939	12.4
107.08560	1.2
111.04450	1.7
115.03908	56.5
123.03152	5.5
123.04446	1.8
127.03890	6.5
129.05499	2.2
133.04947	68.1
137.05994	1.7
140.03372	11.5
145.05000	2.7
146.23602	1.2
149.02330	7.5
150.07596	14.5
153.01822	9.9
167.93750	1.1
211.64430	1.3
215.06979	6.4
239.91725	1.2
243.06615	2.8
271.05890	1.8
277.08932	1.3
289.06882	2.4
451.21619	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1232
Annotation	Aromadendrin 4'-glucoside
Peak:m/z	Relative Intensity
52.34818	0.4
53.03919	1.2
55.01851	2.7
55.05497	1.2
57.03418	3.2
61.02913	5.0
67.05476	0.7
68.99767	2.7
69.03417	9.6
69.07065	0.7
70.06550	0.6
71.04975	3.9
73.02888	1.2
79.05466	2.2
81.03390	3.6
81.07029	2.5
85.02892	27.1
85.06522	0.9
85.52721	0.5
86.09687	1.1
91.03923	0.8
91.05446	5.2
93.07011	3.3
94.07344	0.7
95.04929	2.2
95.08577	2.5
96.08862	0.5
97.02863	7.1
97.06496	1.1
99.04415	0.9
105.06985	3.3
107.04935	24.3
107.08587	3.0
108.08914	1.0
109.02861	1.0
109.06519	1.0
109.10149	1.0
111.04408	1.0
111.08025	0.6
117.06932	0.8
119.04910	2.8
119.08558	1.1
121.02818	6.9
121.06477	0.9
121.10117	2.2
123.04420	0.8
125.09582	1.0
127.03870	4.3
127.11152	0.7
131.04906	0.9
131.08517	2.8
133.06432	0.7
133.10117	3.6
134.10426	1.2
135.08006	0.7
137.05945	0.9
141.06964	3.1
145.02794	1.1
145.04932	2.6
145.06470	1.1
145.10074	1.1
147.04378	2.5
147.08046	2.3
147.11681	0.8
149.02316	84.7
149.09573	0.8
151.03862	0.6
153.00568	0.7
153.01801	18.0
157.10062	0.9
159.04350	1.0
159.08046	1.2
161.09503	0.5
165.01813	0.9
165.06932	0.6
167.03320	0.7
169.06454	4.0
171.11577	0.5
173.05952	2.3
173.09573	0.5
175.11148	0.8
181.06419	0.7
187.03865	0.7
187.07507	2.4
197.05937	6.4
199.07550	0.6
211.07567	4.9
215.06990	100.0
217.12149	0.6
217.15630	0.5
225.05389	0.7
228.12492	0.9
229.08534	1.9
233.15256	0.8
234.15663	0.9
235.13365	0.7
235.16574	0.7
243.06467	93.5
244.06938	0.6
253.04805	0.8
253.17972	0.9
257.12808	1.0
271.05951	72.2
271.09232	2.2
284.06851	0.6
289.07025	9.7
289.10199	1.3
451.15833	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1228
Annotation	Aromadendrin 3-galactoside
Peak:m/z	Relative Intensity
53.03913	0.7
53.09327	0.3
55.01859	1.0
55.05490	0.8
56.59013	0.4
57.03419	4.2
58.93820	0.5
60.74866	0.4
61.02912	17.2
65.03914	1.0
67.01847	0.9
68.99767	2.8
69.03423	4.9
69.07044	0.7
71.04977	5.8
73.02887	6.1
79.05473	1.0
81.03393	0.8
81.07027	1.9
83.04955	0.6
85.02882	22.6
85.06464	0.6
85.80031	0.4
87.04440	0.7
89.03892	0.9
91.03933	5.9
91.05434	2.2
93.07047	0.8
95.04926	2.3
95.08573	0.8
97.02859	8.3
97.06501	0.6
98.97548	2.8
98.98112	0.4
99.04420	0.7
105.01865	0.5
105.06993	1.9
107.04932	51.9
107.08556	1.1
109.02857	0.7
109.10120	1.1
111.00789	0.8
111.04426	3.5
115.03902	0.6
116.98576	0.6
117.03302	0.6
119.04907	3.2
119.08557	1.0
121.02851	7.1
121.06499	0.8
121.10088	0.8
123.04394	12.3
123.11623	0.5
127.03885	4.0
128.98566	0.6
129.05431	0.7
131.04918	0.6
131.08545	1.0
133.06383	0.5
133.10110	1.1
135.04387	8.3
137.05829	0.6
139.03903	3.5
139.07445	0.8
141.06960	2.2
145.02798	3.1
145.04903	1.8
145.06490	0.7
145.10121	1.0
147.04369	2.3
147.08058	0.9
149.02313	66.3
151.03908	0.7
153.01796	100.0
161.05893	0.7
162.07701	0.5
163.03854	16.4
163.11093	0.5
165.01878	0.7
167.03378	7.7
169.06395	4.5
171.02856	0.9
173.05872	0.7
173.13298	0.7
179.03343	2.0
181.04955	0.9
181.06528	0.7
181.12192	2.0
187.03827	0.6
187.07483	1.1
189.16470	0.6
195.02809	6.7
197.05920	6.5
201.05403	1.1
202.93979	0.5
213.05415	0.6
214.06192	0.8
215.06978	65.1
219.01848	0.6
225.05568	0.6
229.08467	3.7
235.13164	0.8
235.16829	1.1
236.17480	0.5
237.02751	1.8
242.05699	2.2
243.06461	35.6
271.05942	16.4
271.09180	1.0
289.06995	70.2
289.10214	2.6
290.07370	0.5
307.10620	2.5
403.13727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	451.1229
Annotation	(2R,3R)-3,5,7,3',5'-Pentahydroxyflavanone 3-rhamnoside
Peak:m/z	Relative Intensity
55.95180	0.9
57.03426	15.8
57.52131	1.0
58.38996	1.0
61.02893	1.0
62.11901	0.8
66.42314	1.0
69.03399	2.2
69.07043	1.2
70.06550	1.5
71.04973	100.0
73.61656	1.0
75.04459	1.2
75.48622	1.1
83.04956	2.5
85.02890	80.5
86.09666	1.1
87.04433	1.3
95.04907	1.1
107.08581	1.1
111.04399	1.7
121.10121	2.1
123.04390	14.3
127.18745	1.1
129.05443	13.8
135.04405	1.6
146.39114	1.2
149.02306	12.6
153.01801	16.7
161.02344	1.9
165.01797	1.8
167.03365	1.6
195.02811	2.7
203.03409	1.6
213.05487	2.2
231.06534	10.3
259.05963	9.1
287.05496	2.5
288.05811	1.6
299.07568	1.3
305.06485	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	451.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03913	0.7
53.09327	0.3
55.01859	1.0
55.05490	0.8
56.59013	0.4
57.03419	4.2
58.93820	0.5
60.74866	0.4
61.02912	17.2
65.03914	1.0
67.01847	0.9
68.99767	2.8
69.03423	4.9
69.07044	0.7
71.04977	5.8
73.02887	6.1
79.05473	1.0
81.03393	0.8
81.07027	1.9
83.04955	0.6
85.02882	22.6
85.06464	0.6
85.80031	0.4
87.04440	0.7
89.03892	0.9
91.03933	5.9
91.05434	2.2
93.07047	0.8
95.04926	2.3
95.08573	0.8
97.02859	8.3
97.06501	0.6
98.97548	2.8
98.98112	0.4
99.04420	0.7
105.01865	0.5
105.06993	1.9
107.04932	51.9
107.08556	1.1
109.02857	0.7
109.10120	1.1
111.00789	0.8
111.04426	3.5
115.03902	0.6
116.98576	0.6
117.03302	0.6
119.04907	3.2
119.08557	1.0
121.02851	7.1
121.06499	0.8
121.10088	0.8
123.04394	12.3
123.11623	0.5
127.03885	4.0
128.98566	0.6
129.05431	0.7
131.04918	0.6
131.08545	1.0
133.06383	0.5
133.10110	1.1
135.04387	8.3
137.05829	0.6
139.03903	3.5
139.07445	0.8
141.06960	2.2
145.02798	3.1
145.04903	1.8
145.06490	0.7
145.10121	1.0
147.04369	2.3
147.08058	0.9
149.02313	66.3
151.03908	0.7
153.01796	100.0
161.05893	0.7
162.07701	0.5
163.03854	16.4
163.11093	0.5
165.01878	0.7
167.03378	7.7
169.06395	4.5
171.02856	0.9
173.05872	0.7
173.13298	0.7
179.03343	2.0
181.04955	0.9
181.06528	0.7
181.12192	2.0
187.03827	0.6
187.07483	1.1
189.16470	0.6
195.02809	6.7
197.05920	6.5
201.05403	1.1
202.93979	0.5
213.05415	0.6
214.06192	0.8
215.06978	65.1
219.01848	0.6
225.05568	0.6
229.08467	3.7
235.13164	0.8
235.16829	1.1
236.17480	0.5
237.02751	1.8
242.05699	2.2
243.06461	35.6
271.05942	16.4
271.09180	1.0
289.06995	70.2
289.10214	2.6
290.07370	0.5
307.10620	2.5
403.13727	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	6.3
53.03918	0.8
55.01863	1.9
55.05315	0.6
55.05501	9.4
57.03419	4.5
57.07056	3.1
59.04982	1.7
60.49357	0.6
61.02909	3.0
63.87046	0.7
65.03877	0.8
67.05488	11.9
68.61948	0.6
69.03413	10.3
69.06715	0.8
69.07050	12.2
70.06558	4.8
71.04973	75.4
71.07323	0.6
72.08105	1.0
73.02889	0.7
73.06517	2.9
75.51183	0.6
79.05470	48.3
81.03389	4.5
81.07036	51.6
83.04964	5.2
83.08580	3.1
85.02884	20.1
85.06509	4.8
86.09689	5.6
89.06025	1.2
91.03962	0.8
91.05450	27.2
93.07019	60.3
95.04940	15.0
95.08578	33.9
97.02883	6.8
97.06503	27.1
97.10175	1.2
99.04440	1.3
99.08056	8.7
105.06286	1.1
105.07010	57.0
107.04946	5.1
107.08571	81.1
109.02830	1.5
109.06480	9.1
109.10139	17.2
111.04404	1.2
111.08031	5.5
117.06972	5.0
119.06066	0.9
119.08557	36.9
121.02824	1.1
121.06441	2.9
121.10117	100.0
123.04382	4.0
123.08055	8.2
123.11674	10.0
124.99984	1.2
125.05962	0.9
125.09591	10.8
127.03864	5.1
127.07516	5.2
127.11151	5.5
129.06996	0.8
130.07727	0.8
131.04880	1.6
131.08539	23.1
133.10098	14.3
134.07437	0.7
135.11633	4.2
137.09598	10.9
137.13217	9.3
139.03882	3.7
139.11191	1.6
142.07784	1.6
143.08516	3.5
143.10651	13.2
145.04924	1.9
145.10098	10.0
146.10878	0.8
147.07950	1.6
147.11664	58.8
149.05957	1.4
149.08369	1.0
149.09595	28.0
149.13216	1.3
151.11153	5.5
153.01762	2.8
153.09064	1.3
153.12741	7.7
155.10625	1.1
157.10143	5.6
159.11655	17.8
161.09570	3.6
161.13246	1.2
163.11131	0.9
164.07025	5.4
165.07300	1.3
165.11552	1.2
165.12738	20.7
167.10651	1.6
169.12178	6.3
171.11574	1.5
173.13243	1.4
175.11172	4.0
175.14787	11.5
177.12672	9.4
183.13756	42.7
184.07309	5.1
189.16360	13.1
193.12167	0.8
193.15846	5.8
199.14841	6.4
207.13750	1.1
207.17380	1.3
217.15836	28.0
229.04073	1.0
229.15492	1.0
235.16873	92.7
235.90337	0.8
244.16968	4.2
246.14915	1.6
253.08516	2.9
253.14308	6.4
253.17905	4.5
271.09515	1.1
271.15350	1.4
278.79849	0.8
289.06909	0.8
436.00443	0.8
450.24496	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	1.3
55.01889	1.0
55.05497	1.7
56.28278	0.9
65.37042	0.8
66.68127	1.0
67.05495	25.1
68.99139	0.9
69.03403	4.5
69.07045	6.1
71.04603	1.8
71.04974	33.8
73.20215	0.9
78.64605	0.9
79.05481	5.8
81.03391	1.3
81.07038	14.2
83.08602	2.3
85.02881	9.1
85.03308	0.8
85.06538	2.2
89.05994	2.4
91.05444	5.0
93.07028	14.3
95.04328	1.8
95.04939	40.7
95.08588	10.3
97.02888	1.8
97.06520	1.1
99.08081	2.0
105.07015	12.1
107.04909	1.3
107.08572	28.4
109.06477	1.1
109.10136	68.6
111.08051	2.2
115.07716	0.9
119.08568	22.1
121.10107	19.1
123.08010	1.9
123.11684	2.2
125.05917	1.0
125.09589	17.7
127.03909	1.2
127.11156	2.1
131.08534	5.9
133.10101	9.2
135.11667	11.5
137.09587	5.1
143.08546	1.8
145.10097	16.4
147.08029	1.8
147.11664	42.2
149.09653	5.4
149.13281	1.9
153.12720	15.7
157.10121	5.2
159.11707	4.8
161.09558	1.7
165.12747	5.6
175.06281	0.9
175.11168	2.3
175.14841	6.8
189.16362	18.0
191.17972	4.1
193.15829	7.7
193.43271	1.0
199.14748	1.5
207.17435	4.3
217.15828	16.2
235.16875	43.1
253.17931	100.0
271.18900	1.9
300.20255	1.1
303.05478	1.0
304.05490	1.5
386.96692	1.3
471.50879	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2694
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.8
55.05497	8.0
57.03428	6.2
59.90080	1.4
61.02914	3.1
63.54303	1.4
67.05486	9.9
69.03404	13.3
69.07047	9.3
71.04975	77.7
79.05467	31.7
81.03398	2.0
81.07040	37.0
83.04979	3.6
83.08591	2.1
85.02888	47.4
85.06516	6.0
87.04460	1.7
91.05460	20.5
93.07023	54.2
95.04939	15.6
95.08591	23.0
97.02855	11.9
97.06496	19.2
99.04458	2.6
99.08063	9.9
105.07008	40.7
107.04947	2.6
107.08575	60.0
109.02858	2.2
109.06520	10.5
109.10131	15.3
111.07986	1.6
112.58835	1.7
113.04008	1.5
119.08538	29.8
121.06554	1.8
121.10117	100.0
123.04384	2.8
123.08038	6.5
123.11678	7.0
125.09589	9.1
127.03893	2.3
127.07515	7.4
127.11169	3.1
129.06915	1.9
131.08556	20.9
133.10115	16.1
135.04390	2.6
135.11685	3.6
137.02310	2.7
137.09578	3.5
137.13249	7.9
143.10672	3.3
145.02788	2.9
145.04926	5.9
145.10098	9.5
147.11653	38.9
149.09605	23.2
153.01804	31.5
155.10686	2.0
157.10153	6.4
159.11681	11.4
161.09528	2.2
163.03838	13.9
163.11153	3.0
165.12730	14.7
169.12247	6.8
171.02859	1.7
175.11130	1.4
175.14745	7.7
177.12709	7.2
178.17258	1.5
183.13768	40.7
189.16380	10.9
193.15959	2.2
199.14833	2.8
203.07166	1.8
207.17403	3.0
217.15799	17.2
235.16882	51.5
235.18623	1.9
237.30566	1.6
253.14369	3.5
253.17929	9.2
287.05423	29.9
288.05792	79.5
288.09021	3.6
289.07034	24.5
362.17328	1.9
369.72601	1.7
390.40765	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.2695
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.9
55.01855	0.9
55.05489	4.5
56.00782	0.5
57.03425	2.5
57.07056	0.7
59.04980	1.2
61.02915	0.8
64.26142	0.5
65.03918	1.3
67.05487	20.2
69.03409	3.4
69.07049	7.2
69.38850	0.6
71.04970	33.7
73.02892	0.5
73.06555	0.7
77.94686	0.5
79.05458	4.9
81.03389	0.9
81.07034	16.4
83.04948	1.5
83.08595	4.3
85.02888	10.4
85.06517	2.8
87.08099	1.0
89.06000	2.9
89.40519	0.6
91.05444	5.1
92.63593	0.7
93.07020	16.5
95.04936	27.7
95.08578	14.1
97.02869	3.7
97.06499	4.1
97.10149	1.1
99.08046	0.6
105.07008	14.1
107.04926	3.5
107.08571	30.9
109.02865	0.8
109.06488	3.5
109.10133	74.8
110.10506	0.7
111.08054	3.9
113.05965	0.9
117.06989	0.9
119.08554	20.7
121.06439	3.4
121.10111	24.6
123.04399	0.8
123.08057	2.8
123.11658	3.6
125.05972	0.8
125.09593	19.3
127.07499	0.9
127.11155	4.3
131.08545	6.3
133.10095	11.9
135.08086	1.0
135.11655	11.9
137.05933	1.0
137.09592	3.2
139.11147	1.4
143.07019	1.0
143.08565	0.8
145.04942	1.0
145.10094	16.3
147.04362	0.7
147.08015	2.8
147.11658	42.5
149.09583	4.2
149.13184	4.7
153.01810	0.9
153.12695	10.3
157.10062	3.5
158.77959	0.7
159.11661	6.0
161.09599	2.3
161.13243	2.6
163.11122	1.3
165.09070	1.3
165.12747	4.8
167.69717	0.7
172.43060	0.6
173.13211	1.5
175.11101	5.6
175.14761	7.2
177.12648	1.0
178.07674	0.7
178.19548	0.6
179.10594	0.7
189.16344	15.0
191.17903	3.4
193.12206	0.9
193.15854	9.6
199.14818	3.0
207.17390	3.1
217.15833	19.7
235.16872	48.8
253.17908	100.0
271.09702	0.9
271.18915	9.7
304.05316	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	450.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.3
53.03939	0.5
55.01870	0.5
55.05499	2.0
57.03424	12.8
59.04982	0.9
60.44336	0.3
61.02903	2.0
64.33347	0.4
69.03408	7.3
70.06536	0.4
71.01315	0.4
71.04971	68.4
71.76124	0.3
73.02885	4.4
75.04456	4.1
79.05468	5.9
81.03387	0.8
83.04953	6.6
85.02883	82.8
87.04440	5.7
88.10308	0.4
91.05470	3.4
93.07019	1.6
95.04932	2.5
95.08582	0.4
97.02869	4.8
99.04416	2.1
103.03963	0.6
103.05457	0.6
105.07000	1.9
107.04932	100.0
109.02872	0.4
109.06458	0.5
111.04423	3.4
115.03909	2.4
117.05449	0.7
117.06950	0.5
119.04890	4.7
119.08522	0.9
121.06482	5.3
121.10083	0.4
123.04398	4.7
127.03909	2.6
129.04514	0.8
129.05444	17.6
131.04901	2.3
131.08511	0.8
133.04910	3.4
133.06465	3.1
135.04391	0.4
137.05891	0.5
143.08519	0.8
145.04918	2.0
145.06435	0.9
145.10100	0.5
146.08080	0.5
147.04523	0.4
147.06485	10.1
147.11644	0.5
149.05968	3.9
150.07524	0.6
157.10089	0.9
159.08035	0.9
159.11662	0.8
161.05922	10.2
163.06036	0.6
163.07526	0.5
164.09146	2.2
165.09119	0.3
167.07050	0.9
173.05974	0.9
175.14828	0.4
187.07509	3.7
191.06897	0.4
205.08571	1.7
217.08546	1.9
217.15878	0.7
223.09587	5.9
235.16829	0.6
253.10629	1.6
253.17970	0.7
271.11676	0.5
273.09589	0.6
309.11703	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1965
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.0
55.01859	2.2
55.05508	1.1
56.05001	1.4
56.40831	0.9
56.96567	1.1
57.03419	10.7
61.02903	8.0
67.05501	0.9
69.03066	1.4
69.03411	25.5
70.02415	0.8
71.04966	15.1
73.02893	2.4
74.06071	15.2
79.05450	2.0
81.03406	7.9
82.73379	1.1
83.04965	4.1
85.02884	85.9
87.04457	4.9
91.03926	1.5
91.05456	100.0
92.93040	0.9
93.07039	1.6
95.04924	1.7
97.02866	35.9
99.04411	5.6
102.05518	1.6
103.03908	1.3
105.06998	4.5
107.04923	4.1
109.02868	6.2
109.10133	1.0
111.00771	2.1
111.04396	3.8
115.03915	6.4
116.07063	4.2
117.06989	1.6
119.08564	1.1
120.06555	7.7
121.02827	1.5
121.06456	1.9
123.04394	2.4
124.07579	7.1
127.03905	18.3
129.05405	4.1
131.08548	1.6
133.04944	4.6
133.10013	1.5
135.04367	1.6
137.02429	1.1
139.03874	76.5
144.06531	2.2
145.04927	20.3
145.06517	2.1
147.06538	1.2
151.03876	6.0
153.01770	1.3
161.05957	3.9
162.07596	4.4
163.03911	10.5
163.05980	7.9
177.05421	1.5
177.60306	1.0
179.06906	1.7
202.22845	1.3
205.04918	6.1
207.10089	1.8
217.56763	1.2
225.55948	1.1
235.09486	2.5
253.10622	1.9
289.06998	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	450.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01857	0.7
55.05497	0.7
55.65112	0.1
57.03430	1.3
58.21883	0.1
61.02911	1.5
67.05489	1.1
69.03414	3.8
69.07060	1.3
69.07348	0.1
70.06558	0.7
71.04963	1.5
73.02897	0.6
73.06551	0.1
76.86249	0.1
77.03937	0.2
78.30090	0.1
79.05463	0.8
81.03392	1.8
81.07040	2.6
83.08577	0.2
84.03289	0.1
85.02889	13.6
85.06520	0.8
86.09666	0.2
87.04440	0.2
91.03923	0.3
91.05461	1.2
93.07022	1.6
95.04938	0.9
95.08585	1.3
97.02869	3.9
97.06493	0.3
99.04424	0.9
99.08067	0.6
105.03354	0.6
105.07015	1.0
107.04931	3.3
107.08579	1.3
109.02878	0.9
109.06494	0.3
109.10130	1.0
111.08055	0.3
112.89669	0.2
115.05480	0.2
119.04881	0.2
119.08560	0.7
120.54530	0.2
121.06480	1.8
121.10121	1.2
123.04404	100.0
123.11674	0.4
125.09613	0.3
127.03899	1.3
131.08546	0.3
133.06540	0.2
133.10107	0.7
135.04396	0.3
135.11610	0.2
137.05966	0.9
137.09602	0.3
139.11205	0.2
143.04793	0.5
145.04938	1.7
145.10124	0.3
147.04385	0.4
147.11720	0.7
149.05954	7.8
149.09645	0.2
149.13260	0.2
151.11200	0.3
160.11975	0.2
161.05919	2.6
165.12773	0.2
167.10680	0.6
174.26817	0.1
175.14769	0.3
180.08669	1.1
184.07353	0.2
186.91052	0.2
187.07343	0.2
189.16267	0.2
217.15785	0.7
235.16911	0.9
243.09969	0.7
253.17996	1.8
269.07999	0.2
269.21179	0.3
271.09586	26.0
271.18924	0.4
288.05783	0.3
303.04868	0.8
303.08014	0.2
304.05246	1.1
337.10516	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.5
55.01855	1.7
55.05491	0.8
57.03421	0.9
60.92351	0.4
61.02901	1.1
63.63790	0.4
67.05510	0.5
68.99763	0.7
69.03419	4.0
69.07050	0.8
71.04984	1.4
72.70485	0.4
73.02891	0.4
79.05464	1.9
81.03385	1.0
81.07026	1.7
83.04969	0.8
85.02887	7.4
87.04453	0.4
91.05458	4.4
93.07012	2.0
95.04942	1.7
95.08563	1.0
97.02877	2.7
97.06507	0.4
97.68208	0.4
99.04420	0.5
103.05455	0.8
105.06988	1.8
107.04941	26.4
107.08584	1.9
109.02869	1.8
109.06499	0.6
109.10125	0.5
111.04405	1.8
115.05428	2.0
118.44085	0.5
119.04936	3.8
119.08526	1.8
121.02847	20.0
121.06481	1.0
121.10119	0.7
123.04380	2.8
123.08096	0.8
125.09573	0.7
127.03904	1.7
129.06995	0.4
131.04910	36.5
131.08568	0.7
132.05624	0.6
133.10121	1.8
135.03479	0.8
135.04402	10.5
135.08066	0.5
136.97191	0.4
137.05978	2.9
141.07018	0.6
141.12849	0.4
143.04907	1.1
144.05693	7.1
145.09978	0.5
147.04378	2.5
147.11636	0.7
149.05940	2.5
149.09641	0.8
153.01784	2.2
155.08578	0.9
155.29729	0.5
157.10167	0.6
159.04416	4.2
159.11749	0.6
159.85005	0.4
160.05188	1.7
165.06926	0.5
167.08566	1.9
169.06459	0.5
169.10120	0.6
173.13200	0.6
175.60223	0.4
178.07668	0.7
179.08528	5.7
181.06448	1.0
182.07205	3.6
183.08031	2.6
189.07031	0.9
195.08061	0.6
197.05948	0.6
197.09587	6.6
199.14754	0.8
207.08000	9.5
210.06757	6.3
211.07568	1.0
217.06346	0.5
217.15857	0.7
218.07281	0.6
223.07500	0.5
225.09076	31.1
225.11330	1.1
234.06705	0.6
235.07529	7.1
235.13252	1.6
235.16917	0.8
236.08141	0.6
238.06038	0.4
244.16914	1.8
253.08548	100.0
253.14178	2.8
254.09018	0.6
271.09546	2.6
271.15662	0.5
287.05441	15.1
288.05792	27.3
318.36163	0.5
415.13647	2.8
431.45569	0.5
443.86032	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.5
54.43302	0.3
55.01865	0.6
55.05497	0.7
55.59227	0.3
55.60675	0.3
57.03419	0.5
59.73001	0.3
61.02919	0.5
67.05488	3.8
69.03416	2.2
69.07060	0.6
71.04991	0.3
73.02873	0.4
75.13844	0.3
75.40333	0.3
79.05465	1.8
81.03407	0.7
81.07043	3.2
83.04960	0.6
85.02885	4.7
91.05469	2.6
92.08650	0.7
93.07017	1.4
93.18599	0.4
95.04942	5.4
95.08560	3.2
97.02866	1.8
97.06520	0.7
103.05444	14.0
105.07015	1.4
107.04926	0.5
107.08590	1.8
109.10168	0.6
119.04926	0.7
119.08579	1.6
121.10043	0.5
123.04404	100.0
123.11681	0.5
124.04744	0.4
127.03918	0.8
131.04906	52.9
131.08549	0.7
133.10139	0.5
135.04395	4.7
135.11674	0.5
137.02362	0.3
137.05952	0.7
137.79222	0.3
145.04921	0.4
147.04381	1.6
149.05957	8.3
157.10085	0.3
161.05948	24.7
162.09599	0.3
165.05464	0.6
189.05475	0.7
207.17160	0.4
217.19566	0.5
233.11580	0.4
271.09595	14.8
271.18982	0.4
285.09598	0.5
337.10693	0.5
364.97421	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41486	0.3
53.03925	0.6
54.81140	0.3
55.01861	0.6
55.05485	0.4
56.67916	0.3
57.03419	1.7
65.03919	0.4
67.05479	2.0
68.99766	0.5
69.03413	3.3
69.07031	1.2
70.06570	0.5
71.04971	2.2
73.02904	0.7
74.26040	0.3
75.04462	0.5
79.01853	0.4
79.05478	1.5
81.03390	1.9
81.07034	2.5
83.04953	0.5
83.08585	0.3
85.02880	6.4
85.06510	0.7
87.00793	1.8
87.04449	0.6
91.05449	3.1
93.07017	2.7
95.01289	1.4
95.04947	0.7
95.08575	1.6
97.02848	2.3
97.06493	0.6
99.04433	1.2
101.06003	0.5
105.01841	0.7
105.07009	4.1
107.04933	0.7
107.08572	1.9
109.02856	2.0
109.06485	1.2
109.10106	1.2
110.03648	6.0
111.04398	1.9
116.06246	0.3
117.06955	0.4
119.08541	1.9
121.06469	4.1
121.10097	1.8
123.04383	1.8
123.08057	0.4
125.05956	35.0
125.09541	0.3
127.03882	3.8
129.01884	0.3
129.06975	0.4
131.08542	2.2
133.10095	4.6
135.08032	0.5
135.11647	0.4
138.03055	0.5
139.03868	4.6
142.07758	0.4
143.08481	2.3
145.04932	1.3
145.10127	2.3
147.08014	1.3
147.11644	1.3
149.05898	0.4
149.09604	0.6
153.05428	73.5
154.06206	27.2
155.03354	1.7
155.07011	1.1
156.04063	0.5
157.10123	1.9
159.02866	0.6
159.07980	0.3
159.11639	1.9
161.09641	0.4
161.13171	0.4
163.11122	0.3
167.06998	1.4
170.05681	4.7
171.11655	0.5
173.13213	1.3
178.06207	0.6
178.30823	0.3
185.08034	100.0
186.08400	0.4
189.12683	0.7
189.16415	0.8
194.05463	0.5
199.14767	1.3
205.12192	0.6
209.08031	1.6
217.12187	0.6
217.15813	2.0
223.13194	0.4
227.09010	1.2
235.13239	1.6
235.16872	0.7
236.06621	0.4
251.08899	0.4
253.14279	1.6
253.18019	0.4
271.15320	1.3
275.08987	0.5
293.10019	1.4
300.05896	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.1603
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57639	0.6
53.03944	5.0
55.05505	0.6
56.96552	2.3
57.03418	3.1
59.76790	0.5
61.02911	3.7
69.03419	13.6
70.06611	0.5
71.04974	28.1
73.02891	1.2
75.97511	0.6
81.03397	11.8
81.44594	0.6
83.04967	2.7
85.02895	14.5
87.04472	0.5
89.06011	100.0
91.05462	0.9
95.08545	0.9
95.16350	0.5
97.02869	54.0
99.04437	6.5
105.07018	0.9
106.41147	0.6
109.02853	14.2
110.97843	0.6
111.04414	1.3
115.03940	1.0
121.06482	0.7
123.04369	0.8
124.07581	3.4
127.03876	13.6
128.23540	0.6
130.15874	3.0
131.00165	1.0
135.06512	11.7
137.02322	1.4
137.06039	0.7
139.03841	0.8
145.04951	12.6
146.92195	0.6
147.04431	0.6
149.99335	0.6
167.06972	1.0
196.71588	0.7
197.08014	1.0
215.09161	1.4
239.02284	2.3
243.08557	3.2
257.03323	1.3
261.09610	10.1
449.09692	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	450.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	6.1
54.06015	0.4
55.01861	0.9
56.96542	2.6
57.03431	4.5
61.02917	3.8
67.05497	0.5
69.03410	14.2
71.04971	29.3
72.08118	0.6
73.02896	4.6
81.03397	13.7
83.04970	4.4
85.02884	20.2
87.04441	1.3
89.06005	100.0
90.17915	0.5
91.05450	2.2
92.51373	0.6
92.63999	0.7
92.93120	0.6
93.07014	1.0
95.04923	1.2
96.87068	0.6
97.02861	55.8
97.06502	0.6
99.04422	7.3
105.06999	1.2
109.02145	0.9
109.02853	15.2
111.04381	1.2
115.03867	1.3
116.98573	0.7
117.06967	0.8
119.08530	0.7
121.06469	2.8
121.10088	0.7
123.04388	1.2
123.07984	0.6
124.07549	4.5
125.05841	0.6
127.03888	14.0
129.06976	0.8
130.06494	0.9
131.08505	1.1
133.10100	1.2
135.06502	12.2
137.02307	2.1
137.06001	0.7
139.03893	0.6
145.02998	0.6
145.04922	16.1
147.04379	7.2
151.07500	4.7
152.91246	0.6
153.01813	0.7
157.06422	1.0
157.10103	0.9
160.05112	0.6
163.07521	0.7
164.10602	0.8
167.06981	0.8
175.07500	47.2
179.07027	1.0
189.09062	1.0
191.07010	1.3
193.08607	0.6
195.03325	0.7
197.08109	1.2
209.08049	0.9
213.04364	0.6
215.09032	1.0
235.09599	13.7
239.02136	2.0
243.08580	3.1
253.10748	0.7
257.03198	2.6
261.09622	10.6
263.36035	0.5
271.11667	2.9
279.10583	1.3
282.85419	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3987
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
55.05500	31.7
57.07057	24.0
69.07047	27.4
71.08599	7.1
81.07047	26.8
83.08598	23.8
91.05429	4.8
95.08585	26.6
97.10159	19.3
105.07036	5.4
107.08599	7.2
109.10147	20.9
111.08086	18.8
119.08541	25.6
121.06495	8.1
123.04398	10.4
135.11697	7.4
137.09578	24.4
139.07487	34.8
147.08040	7.7
151.11137	5.5
161.13232	5.3
165.09117	19.1
165.12715	8.0
179.10577	5.4
179.14290	7.9
218.29572	4.9
240.75436	4.6
249.25180	5.5
325.23114	5.7
403.39383	9.6
431.38937	42.0
449.39758	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3984
Annotation	sitostanetriol
Peak:m/z	Relative Intensity
54.81285	9.4
55.05503	16.2
57.07051	12.8
60.95901	6.7
61.21303	6.4
62.84172	8.1
67.05480	11.7
69.07046	34.3
71.08593	7.7
75.77455	7.1
76.12727	7.0
80.15012	6.5
81.07006	29.5
83.08608	13.2
95.08614	11.3
97.10141	43.3
102.62702	8.0
105.07079	8.1
107.08620	10.1
111.08035	12.1
119.08523	15.8
123.04416	12.1
125.09548	10.6
126.45611	8.6
137.09596	16.1
139.07516	47.7
154.21289	8.2
165.12694	14.0
403.39508	15.6
431.38776	50.7
449.39835	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3622
Annotation	Numersterol A
Peak:m/z	Relative Intensity
54.81442	0.8
55.01630	0.9
55.01866	20.5
55.05497	4.2
57.03409	0.9
57.07063	2.0
67.05497	7.1
69.03415	0.9
69.07059	6.8
70.64162	0.8
71.08624	1.2
74.09698	12.7
79.05457	6.5
81.07038	9.9
83.08595	1.0
85.02895	1.3
85.06489	0.8
88.33220	1.1
91.05446	5.0
93.07038	5.7
95.04937	1.1
95.08586	7.1
97.02866	53.0
98.98464	1.2
99.04433	5.4
103.80788	1.1
104.23500	0.9
105.07027	4.9
107.04938	1.4
107.08578	4.8
109.06502	3.7
109.10166	4.9
111.04408	1.5
115.03912	32.3
115.04721	1.1
119.08583	1.8
121.10090	1.6
123.08060	2.3
131.08589	1.5
133.06488	2.3
135.11655	1.2
137.06001	0.9
145.10132	1.8
149.09575	1.2
151.07521	78.4
152.08304	1.1
157.10097	1.1
162.16141	1.0
165.09079	26.8
169.08571	49.1
179.10625	10.6
193.12178	9.6
198.17543	1.0
207.13762	6.4
208.02295	1.0
219.13675	1.3
221.15396	4.3
235.16891	1.6
277.21527	2.3
283.06177	1.3
284.06323	2.2
285.06479	4.1
291.23254	1.1
303.04990	5.4
312.39676	0.9
317.91617	1.1
351.25421	1.4
390.32309	1.0
413.33987	12.4
429.04401	1.2
431.35126	100.0
432.35611	1.4
449.36160	75.1
455.01752	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81459	1.8
58.34965	1.4
67.05479	2.0
78.39197	1.7
81.07034	3.3
83.38430	1.5
93.07004	2.4
95.08608	1.9
105.07011	2.2
108.34468	1.5
109.10121	1.4
109.39883	1.5
135.11700	1.7
215.54578	1.6
348.68362	1.7
439.17044	1.7
449.33810	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.3385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.85014	0.4
54.99353	0.4
55.05510	0.9
55.90310	0.4
60.30576	0.4
67.05492	0.8
69.07055	0.6
79.05465	0.6
81.07040	3.9
85.06512	0.7
91.05455	1.0
93.07017	2.1
95.08591	2.9
97.06509	0.4
105.07024	1.9
107.08573	2.5
109.10138	1.1
109.97960	0.5
119.08573	1.1
133.10109	0.8
135.11761	0.6
159.11630	0.8
173.13309	0.6
193.61676	0.5
299.85388	0.6
346.55618	0.6
449.33798	100.0
450.34286	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41458	0.4
51.81722	0.4
52.77668	0.5
53.03936	0.5
55.01849	0.5
57.03419	1.9
57.60353	0.5
67.05502	0.5
69.03410	1.2
71.04958	1.2
79.05482	5.6
81.03393	0.5
83.04932	0.5
83.08582	0.6
85.02885	4.5
86.03204	0.5
89.21555	0.4
91.05453	2.4
93.07005	2.1
95.04933	2.4
95.08572	1.0
97.02861	1.1
103.05423	5.5
105.07002	5.7
107.04933	52.8
107.08566	3.0
115.05409	2.4
117.06985	1.1
119.08570	0.6
120.05730	0.7
121.06448	1.9
123.04399	2.4
124.05158	2.5
125.05964	1.0
125.09574	0.6
131.04910	1.9
133.06461	2.6
133.10091	3.7
134.10458	0.6
135.08025	15.5
137.05960	2.2
149.05931	1.0
152.04614	1.2
154.06200	1.3
161.41963	0.5
163.07498	31.3
165.05444	0.8
165.09012	0.8
167.06995	100.0
168.07782	0.6
180.07759	3.7
181.08469	1.1
193.08568	3.1
195.10118	20.6
211.09618	3.2
213.11179	37.6
215.14264	1.2
216.14549	0.7
223.82315	0.5
233.15276	2.6
234.15569	1.0
287.05380	3.4
287.14838	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	449.159
Annotation	Unknow
Peak:m/z	Relative Intensity
51.84020	0.4
53.03926	2.4
54.16394	0.3
54.22176	0.4
55.01864	3.8
55.05506	0.6
57.03407	0.6
59.33065	0.5
65.03926	0.4
66.79890	0.4
67.05502	3.2
68.99772	7.7
69.03400	2.1
69.07047	0.8
71.01320	0.9
71.04960	2.4
79.05463	6.7
81.03401	7.9
81.07030	7.2
83.01314	0.6
85.02877	2.7
91.05458	9.7
93.03313	0.5
93.07001	7.1
95.04953	5.4
95.08589	1.9
103.05456	9.2
105.04424	0.4
105.06999	1.1
106.04166	0.7
107.04933	9.8
107.08572	1.1
109.02853	2.7
109.06481	2.3
109.10125	1.0
119.04918	3.4
119.08544	0.6
121.02856	3.3
121.06483	14.8
123.04432	0.7
131.03363	0.7
131.04889	6.7
134.03596	3.0
135.04399	4.5
137.05956	4.5
141.06969	0.8
145.02850	1.0
147.04390	2.0
149.05957	15.3
151.07544	0.6
153.01839	0.6
153.05452	2.7
153.06960	1.7
155.08534	3.1
157.06503	2.3
159.04373	0.7
162.03102	5.1
163.07610	0.5
165.06970	5.3
168.54839	0.5
171.07883	0.7
177.05429	100.0
178.05775	0.5
183.08018	3.3
185.05974	2.1
187.03912	0.7
193.06462	0.9
197.06055	0.5
211.07484	4.6
213.05469	2.4
221.05951	0.5
225.05394	1.1
228.29028	0.5
239.06947	11.2
246.59325	0.4
257.60254	0.5
267.06467	5.2
271.09579	92.1
272.09912	0.6
287.05667	0.6
299.09073	46.0
303.05026	4.1
365.11246	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1078
Annotation	Luteolin-7-glucoside
Peak:m/z	Relative Intensity
53.03925	0.2
55.01858	0.2
55.21022	0.1
57.03418	0.5
61.02906	0.7
67.01846	0.7
67.05477	0.2
68.99783	0.4
69.03418	1.3
69.07043	0.2
71.04978	0.2
79.05461	0.2
81.03388	0.8
81.07017	0.3
81.92031	0.1
83.04945	0.2
85.02421	0.2
85.02893	4.0
85.06582	0.1
89.03883	0.2
91.05457	0.3
92.13200	0.1
93.07005	0.5
95.08584	0.2
97.02881	1.4
105.07011	0.5
107.04916	0.7
109.02884	0.4
113.66853	0.1
117.03346	0.3
117.07018	0.2
119.08569	0.5
121.02831	0.1
121.10138	0.2
123.04353	0.1
127.03920	0.2
128.44104	0.1
131.08560	0.2
133.10139	0.1
135.04393	2.8
137.02296	0.8
145.04948	0.1
145.10118	0.3
147.04352	0.7
147.11652	0.2
148.04837	0.2
153.01816	7.7
161.02333	0.8
171.02881	0.7
171.04451	0.1
179.03445	0.5
196.70607	0.1
203.03337	0.1
207.73364	0.1
208.05742	0.1
209.08040	0.1
209.85228	0.1
233.15294	0.3
241.04898	0.9
253.08403	0.5
259.09320	0.1
269.04382	0.7
287.05453	100.0
288.05713	0.9
303.04767	0.2
391.46991	0.1
449.11322	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Quercetin-3-Rhamnoside
Peak:m/z	Relative Intensity
56.92517	0.2
57.03427	3.5
61.02892	0.8
67.01811	0.4
67.05479	0.2
67.52016	0.2
69.03375	0.4
70.76025	0.3
71.04955	0.4
73.02896	6.5
75.04432	0.5
75.11449	0.2
79.05420	0.2
85.02898	1.7
88.14784	0.2
92.02560	0.4
92.64394	0.2
93.03361	0.4
97.06464	0.3
105.03273	0.2
105.06950	0.2
111.00751	0.2
121.02824	0.9
121.10061	0.5
126.67983	0.2
129.01775	0.2
135.04417	2.4
137.02232	0.9
139.03873	0.3
145.10043	0.5
147.11639	0.4
153.01796	9.6
161.02267	0.5
165.01801	0.3
171.02818	0.3
173.09573	0.2
179.03377	0.3
179.39496	0.2
201.05428	0.4
203.03430	0.4
213.05467	0.3
228.04004	0.5
229.04851	1.5
233.15286	0.3
236.39565	0.2
241.04744	0.5
245.04483	0.5
246.05168	1.1
257.04385	1.2
273.03775	0.5
274.04578	2.3
285.03879	1.4
287.05426	100.0
288.05832	0.4
301.37894	0.2
302.04144	5.5
303.04883	4.5
317.06482	27.2
318.06970	0.3
389.18658	0.3
390.79196	0.3
449.10709	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	449.1073
Annotation	Quercitrin
Peak:m/z	Relative Intensity
52.25574	0.4
57.03423	6.3
63.39493	0.3
65.17412	0.4
66.96432	0.3
68.99784	0.6
71.04977	33.9
73.02876	0.4
75.04439	0.8
85.02892	33.9
86.11166	0.5
111.00806	0.7
111.04388	0.4
112.61662	0.4
129.05484	4.3
137.02316	5.4
149.02277	0.8
153.01791	6.6
160.58884	0.4
163.03787	0.5
165.01787	3.1
183.02867	1.1
197.97081	0.4
201.05461	2.7
219.06447	0.5
229.04933	6.2
247.06053	0.8
257.04343	3.5
268.61328	0.5
285.03802	1.9
303.04932	100.0
304.05170	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1075
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03923	0.1
54.10228	0.1
54.21156	0.1
55.01855	0.1
55.05482	0.1
57.03427	0.6
61.02913	3.4
65.08509	0.1
67.01853	0.6
67.05481	0.1
68.99767	0.7
69.03410	0.7
70.06566	0.1
71.04974	1.8
72.05293	0.1
72.08099	0.1
73.02897	0.7
75.04455	0.1
79.05451	0.3
81.03383	0.3
81.06995	0.1
81.71946	0.1
83.04941	0.1
85.02887	4.8
89.03899	0.1
91.03943	1.1
91.05431	0.1
92.09338	0.1
93.07021	0.3
95.04935	0.2
95.08558	0.3
97.02860	1.7
97.06479	0.1
97.10943	0.1
99.04425	0.3
105.03362	0.1
105.07018	1.1
106.07325	0.2
107.04926	0.3
107.08558	0.2
109.02851	0.3
109.06484	0.1
109.10124	0.1
111.00787	0.3
111.04422	0.1
115.03856	0.1
117.03314	0.1
117.07005	0.1
119.08562	0.3
119.70522	0.1
120.82870	0.1
121.02839	1.6
121.10118	0.1
127.03873	0.4
127.69204	0.1
129.01831	0.1
129.05444	0.5
131.08522	0.2
132.40157	0.1
133.02765	0.1
133.10098	0.2
135.04399	1.7
135.08052	0.1
137.02316	0.8
145.04886	0.1
145.06419	0.1
145.10114	0.2
147.04364	0.4
147.06488	0.3
147.11613	0.1
148.08221	0.1
148.93591	0.1
153.01801	5.8
157.06470	0.2
161.02307	0.4
161.05881	0.1
164.07028	0.9
165.01802	1.1
169.01337	0.1
171.02898	0.5
171.04144	0.1
173.05971	0.1
179.03326	0.3
183.02826	0.5
185.05931	0.3
187.14760	0.1
199.03922	0.1
203.03378	0.3
213.05452	1.0
231.06441	0.5
233.15273	0.3
241.04810	1.1
243.06558	0.1
245.04332	0.1
251.16331	0.2
258.05151	0.7
259.05899	0.3
263.05539	0.1
269.04373	0.6
269.16623	0.2
287.05435	100.0
288.05753	1.4
303.04913	2.8
386.23938	0.1
449.10611	0.5
449.22458	0.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	449.1073
Annotation	Kaempferol-3-Glucoside
Peak:m/z	Relative Intensity
53.03936	0.1
55.01858	0.2
57.03429	1.0
58.93710	0.1
61.02912	10.0
68.99762	0.9
69.03069	0.1
69.03415	1.7
71.04932	0.1
73.02901	2.5
75.14661	0.1
79.05457	0.1
81.03404	0.7
83.01330	0.1
85.02888	6.4
87.04417	0.1
91.03384	0.2
91.03931	3.2
91.05441	0.1
95.04944	0.1
97.02866	3.9
99.04430	0.4
101.02311	0.1
103.05505	0.1
104.55838	0.1
105.03362	0.6
107.04937	0.5
107.08547	0.1
109.02859	0.6
111.00768	1.1
111.04431	0.1
115.03902	0.2
121.02843	4.7
123.04462	0.1
127.03886	0.9
133.02811	1.0
135.04385	0.2
137.02306	1.4
137.05923	0.1
145.04930	0.5
145.06476	0.5
147.04359	1.1
153.01801	6.8
157.06465	0.6
160.45753	0.1
160.47237	0.1
161.05919	0.1
165.01808	3.5
165.03194	0.1
171.04350	0.3
183.02847	1.3
185.05969	0.8
197.06009	0.1
203.03302	0.1
203.07057	0.4
213.05426	2.2
231.06476	1.1
241.04895	1.2
256.95340	0.1
258.05188	1.8
259.05978	0.7
269.04254	0.2
287.05435	100.0
288.05801	1.1
300.40201	0.1
346.34192	0.1
449.17630	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3907
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79226	0.4
52.56338	0.4
54.58916	0.4
55.92631	0.4
67.05485	3.1
72.63631	0.4
81.07063	0.8
93.07011	2.3
109.10128	4.5
119.08569	2.5
121.06477	11.9
122.07250	2.1
135.08025	0.7
136.08807	16.6
136.09857	0.7
137.09586	17.6
149.02338	1.2
149.09586	0.9
152.08337	0.7
164.08298	38.2
165.09074	100.0
166.09766	0.7
173.09425	0.5
177.09039	1.0
190.09785	0.9
205.12161	7.1
275.43845	0.6
282.14017	0.5
430.37964	71.3
431.37994	0.8
437.99457	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	32.7
57.07063	6.9
57.72461	4.8
59.05008	6.3
67.05487	39.0
69.07037	39.4
71.04971	23.4
72.68490	5.6
79.05470	43.4
81.07030	88.8
83.08618	8.0
85.06489	12.8
91.05446	35.6
93.07017	95.6
94.73165	5.5
95.04954	14.1
95.08588	80.2
105.07024	100.0
107.08566	91.3
109.10158	60.5
111.71178	5.3
117.06997	10.4
119.08553	95.1
121.10133	72.5
131.08543	38.5
133.10104	60.6
135.11662	31.3
143.08545	13.3
144.09309	6.7
145.10114	71.7
147.11665	39.4
149.13254	9.3
157.10025	22.9
159.11671	60.8
161.13249	33.7
171.11650	23.9
173.13219	28.5
187.14809	24.8
199.14835	8.5
201.16417	23.2
203.18037	6.3
213.16367	9.5
215.18025	7.4
219.17419	6.5
219.69476	5.7
229.19359	10.5
303.05191	10.1
313.25009	9.4
325.46683	6.6
395.32907	6.9
468.29175	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	448.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66768	0.3
53.13327	0.2
54.99833	0.2
79.05463	1.3
81.03409	0.4
85.02923	0.5
86.09673	0.3
89.67280	0.3
95.04971	0.5
97.02870	0.4
103.05460	0.5
105.07009	100.0
106.07364	2.4
122.09639	33.4
123.09996	0.5
124.03914	0.4
132.04489	0.3
136.84114	0.3
157.96198	0.3
163.03883	0.7
189.05391	0.3
191.03291	0.5
230.08272	0.3
233.04062	0.3
235.97552	0.4
259.11905	1.5
302.11819	0.5
385.07339	0.4
448.19086	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.3053
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.1
55.05497	4.5
57.07066	11.2
58.06594	1.6
66.15025	1.0
69.07048	2.9
70.06573	21.1
71.04975	1.4
71.08618	2.8
79.05453	1.2
81.07047	5.3
83.08598	1.1
85.10172	1.4
88.07614	27.1
90.89717	1.0
91.05448	6.6
93.07025	2.7
95.04957	1.5
95.08577	2.1
100.17220	1.1
102.09159	21.4
104.02609	2.1
105.07014	2.1
107.08553	4.7
109.10069	1.5
109.79287	1.2
118.90544	1.3
119.04922	2.4
119.08556	2.1
121.21111	1.3
131.08580	1.2
132.02028	16.3
136.01558	9.5
147.04385	45.4
148.05154	5.7
175.03864	78.7
176.04704	1.6
180.04176	12.1
191.07007	5.6
193.04922	1.5
198.96234	1.2
219.06487	100.0
256.26279	53.1
278.50186	1.2
289.51236	1.4
295.22598	1.4
303.04797	1.8
315.90735	1.2
414.81067	1.4
415.99020	1.3
448.30521	87.2
449.31021	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
53.26246	0.6
54.49991	0.8
55.01845	1.3
55.05502	6.9
57.03428	7.0
57.03646	0.7
57.07056	3.7
59.04972	0.6
61.02897	1.5
62.03942	0.9
63.11810	0.6
65.03923	0.8
67.05143	1.0
67.05486	19.4
69.03411	9.3
69.07053	5.5
71.04974	36.6
73.02896	0.8
75.04457	1.1
79.05476	6.6
81.03374	3.8
81.07035	17.8
83.04964	6.9
83.08594	4.9
85.02886	55.2
85.06525	1.3
87.04436	1.1
91.03921	1.0
91.05446	11.9
92.09231	0.9
93.07019	40.9
95.04948	15.2
95.08581	41.4
97.02855	9.2
97.06485	3.5
99.04431	1.7
105.06361	1.2
105.07009	20.8
107.04913	1.3
107.08574	63.8
109.06514	6.4
109.10135	32.3
111.04422	11.4
111.08070	13.0
113.05964	9.9
114.37206	1.0
117.06969	3.8
119.08549	25.9
121.06477	8.9
121.10112	21.9
123.04391	1.0
123.08035	3.6
123.11659	6.3
125.05946	3.5
125.09605	28.1
127.03860	1.3
127.07516	1.6
129.05447	8.7
129.07010	1.1
131.08557	20.3
133.10103	100.0
134.10931	1.2
135.08023	14.3
135.11656	8.5
136.12477	1.0
137.05954	1.5
137.09508	1.0
139.07530	17.8
140.46623	0.9
143.08536	1.2
145.04921	1.9
145.06464	3.1
145.10103	35.9
147.06514	5.8
147.07994	1.8
147.11671	7.5
149.05954	3.8
149.09558	3.8
151.07527	1.7
153.07925	1.2
153.09085	26.4
155.08556	2.8
157.10146	1.8
158.07216	3.2
158.10886	1.5
159.08029	20.6
159.11636	11.3
161.09572	3.4
161.13222	1.3
163.07481	8.8
164.09154	0.9
165.09155	1.3
169.10052	1.2
171.11679	2.0
172.12376	3.4
173.09570	37.4
173.13191	14.0
177.09064	11.3
181.82558	0.8
185.09628	0.8
186.10371	5.0
187.11208	6.6
187.14775	41.4
189.16336	1.7
191.10611	7.2
191.14294	1.1
195.10141	1.2
197.13217	3.8
200.11880	2.0
205.15848	3.4
215.14276	32.9
220.14192	1.0
233.15323	82.3
239.17180	0.8
251.16347	13.4
287.05499	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	448.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.2
53.03937	2.2
55.01851	5.3
55.05509	11.1
56.96552	1.4
57.03420	9.3
57.07045	1.6
59.04982	1.7
61.02897	5.2
67.05189	1.2
67.05489	12.1
69.03420	15.1
69.07052	12.6
71.04975	23.4
73.02890	15.0
79.05051	1.5
79.05473	23.0
81.03391	2.8
81.07036	100.0
83.04967	13.8
83.08585	2.6
83.11199	1.1
85.02415	1.9
85.02887	29.1
85.06522	2.7
87.04442	5.2
91.05463	25.0
92.08639	1.2
93.07024	40.2
95.04951	10.5
95.08597	24.3
96.83168	1.4
97.02861	12.9
97.06509	21.2
99.04408	3.0
99.08038	1.2
101.05997	1.2
104.51208	1.1
105.07009	55.4
107.04890	10.3
107.08579	65.9
109.02834	2.2
109.06488	8.8
109.10148	23.6
111.04405	1.2
111.08028	2.6
113.05988	1.6
115.03890	2.5
117.06975	7.7
119.08554	40.3
121.06480	9.8
121.10129	28.7
123.08031	16.3
123.11666	7.4
125.05980	21.7
125.09583	5.3
127.03828	3.0
127.07495	2.4
129.05453	2.8
129.06979	1.7
130.07742	2.1
131.08543	36.3
132.09337	1.5
133.10104	27.9
135.08029	5.1
135.11665	57.8
137.05928	8.5
137.09587	7.0
137.13223	1.7
139.07507	2.0
143.07045	8.8
143.08517	5.1
145.04970	4.9
145.06363	1.5
145.10103	84.1
147.08067	11.8
147.11670	84.3
149.09564	7.1
149.13226	2.3
151.07526	3.0
151.11160	1.9
155.07033	1.5
157.10094	5.8
158.10895	5.0
159.07967	2.4
159.11671	21.1
161.09590	7.9
161.13196	5.7
163.03917	1.5
163.11150	48.3
163.14798	2.6
165.09077	14.5
169.10135	2.1
171.11650	2.6
172.12383	1.4
173.09605	9.3
173.13226	22.9
175.11156	5.0
177.09050	2.1
177.12724	2.8
177.16373	3.0
181.12234	14.4
187.11136	11.1
187.14784	25.3
189.16319	8.9
191.10593	7.5
191.14243	2.4
197.13092	1.6
205.12213	7.8
205.15843	31.1
215.10623	6.0
215.14203	12.4
219.13760	2.2
223.13110	1.8
233.11795	18.6
233.15309	61.9
251.12909	9.1
251.16373	83.9
269.13882	2.5
269.17419	24.9
276.39850	1.3
287.05453	8.4
303.05118	10.6
304.05191	7.9
361.02148	26.9
362.02487	1.6
379.03204	21.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.2
54.81582	0.2
55.01860	1.3
55.05497	1.1
57.03423	2.2
59.04956	0.2
61.02689	0.1
61.02918	2.2
62.35289	0.1
67.05486	1.4
68.99771	1.0
69.03415	6.5
69.07047	1.4
69.58046	0.1
71.04974	1.6
73.02880	0.7
74.11645	0.2
78.35249	0.1
78.91039	0.2
79.05470	2.9
81.02991	0.2
81.03400	3.6
81.07033	2.1
83.01330	0.3
83.04956	1.1
85.02889	16.4
85.06512	0.7
87.04430	0.8
91.03916	0.2
91.05453	2.9
92.09286	0.2
92.63603	0.2
93.07022	3.5
95.04944	1.7
95.08574	1.6
97.02870	5.4
97.06509	4.9
99.04424	1.8
103.05429	0.3
105.03367	0.3
105.07012	4.7
107.03922	0.2
107.04936	3.0
107.08569	2.9
109.02370	0.1
109.02871	2.1
109.06509	1.0
109.10149	0.4
111.00774	1.4
111.04384	0.3
111.08077	0.3
111.44743	0.2
111.80378	0.2
113.05990	0.7
115.03905	0.3
117.06983	1.7
119.04962	0.4
119.06019	0.2
119.08559	5.8
121.02835	5.1
121.06471	3.0
121.10126	2.4
123.08027	0.3
125.05963	1.0
127.03896	1.4
127.07493	0.2
129.06975	0.4
130.07762	0.3
131.08548	2.0
133.02809	0.9
133.06456	0.8
133.10120	1.4
135.04390	0.3
135.08038	1.1
135.11620	0.8
137.02357	1.5
137.05984	2.4
139.07541	0.3
141.06963	0.3
143.07024	0.3
143.08531	0.9
144.09326	0.2
145.04985	1.2
145.06442	1.0
145.10106	6.9
147.04428	1.4
147.08011	0.2
147.11670	1.4
148.08794	0.2
149.09590	0.2
151.07521	0.4
153.00557	0.3
153.01791	8.0
154.07733	0.3
155.08501	0.6
157.06493	1.0
158.07259	0.4
159.08022	0.6
159.11670	1.8
161.05930	0.3
161.09621	0.2
161.13289	0.3
163.03917	0.2
163.07437	0.2
163.11150	16.5
165.01810	3.2
165.09029	0.2
169.10103	0.4
171.04300	0.2
173.09581	4.1
173.13293	0.3
175.11063	0.2
177.09061	0.2
181.12224	0.3
183.02844	1.4
185.05931	0.8
187.11130	2.3
187.14845	0.9
189.05606	0.2
189.09052	0.4
191.10680	2.4
193.12238	0.2
199.10934	0.2
205.12184	1.4
205.15855	0.9
207.10080	0.8
209.11792	0.2
213.05453	2.3
215.10626	1.8
215.14201	0.2
231.06497	1.3
233.11684	7.9
233.15253	1.7
241.04930	1.6
251.12900	1.9
251.16394	1.4
258.05203	1.7
259.05994	0.3
269.13782	1.6
269.17429	0.7
285.16965	0.2
286.17282	0.3
287.05438	100.0
303.04941	1.0
344.04727	0.3
448.37857	0.2
462.85135	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	0.7
55.05500	3.2
57.03426	13.4
59.04991	0.7
61.02898	1.2
64.70196	0.4
64.89381	0.5
69.03435	3.7
69.07057	0.7
71.01331	0.7
71.04976	82.3
73.02895	3.4
75.04462	4.7
79.05494	0.8
81.07019	0.7
83.04965	9.7
85.02888	100.0
85.47498	0.4
86.09705	0.9
87.04433	2.2
91.05445	2.1
93.07015	3.1
94.88304	0.5
95.04957	1.0
95.08578	0.6
97.02854	5.3
97.06531	0.7
99.04434	2.1
103.03886	0.6
105.07010	59.3
107.08589	2.7
109.02891	1.0
111.04431	4.6
119.08559	11.3
121.06470	3.0
127.03888	2.9
129.05444	24.5
131.08549	3.4
133.10101	1.0
137.05960	0.8
143.08525	3.1
145.04930	2.7
145.10107	2.5
146.08130	0.6
147.04648	0.5
147.06516	17.4
147.08029	3.9
159.08063	4.4
164.09132	4.1
173.13216	1.2
187.14789	0.8
189.09111	3.8
215.14230	1.1
215.83401	0.6
233.11761	1.0
233.15356	3.1
237.07468	0.6
251.12619	0.6
251.16359	0.6
255.08643	1.0
273.09729	0.6
274.41043	0.6
309.11768	1.2
360.75311	0.7
370.82263	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	448.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.05958	0.5
53.03941	0.9
54.81708	0.5
55.01851	3.1
55.05501	1.3
57.03412	2.6
59.62444	0.5
61.02897	0.7
63.02921	0.6
67.05482	2.5
69.03410	7.7
69.07056	8.2
69.96354	0.6
71.04971	3.8
71.61148	0.5
72.80984	0.6
73.02890	2.9
75.04441	1.1
79.05467	8.4
81.03406	5.1
81.07037	8.9
83.04970	4.3
85.02889	20.8
87.00803	5.8
91.05463	6.2
93.07026	8.0
95.04931	3.3
95.08573	2.9
97.02896	5.8
97.06498	15.2
99.04425	7.4
103.05439	3.5
105.01836	2.6
105.07007	28.0
107.04915	2.7
107.08569	8.0
109.02859	4.3
109.06459	4.7
109.10142	2.4
117.07003	4.0
119.04918	3.3
119.08560	4.9
120.05711	1.1
121.06476	7.9
121.10088	3.7
123.08069	1.1
125.05956	9.3
125.09605	0.6
127.03907	7.5
129.01814	0.8
130.07770	1.2
131.08525	7.7
133.06456	3.6
133.10092	3.9
135.08029	8.9
135.11674	3.9
137.05965	3.0
137.35118	0.7
143.07028	7.3
143.08496	1.3
144.09274	1.3
145.04932	1.4
145.06363	0.8
145.10097	27.1
147.08034	1.4
147.11633	4.1
149.05959	1.4
150.06737	4.3
151.07515	0.9
155.08513	1.2
158.07260	2.3
159.02826	2.9
159.08028	1.6
159.11653	9.5
162.13724	0.7
163.07472	2.4
163.11150	31.5
165.09074	100.0
169.10092	1.5
173.09579	15.8
173.13136	1.0
177.09061	7.3
179.10687	1.0
181.12297	1.2
183.10094	6.1
186.08429	0.6
187.11150	13.9
187.14778	2.7
189.09097	0.8
191.10620	7.4
191.14153	0.7
192.07834	0.9
195.10127	1.2
195.70720	0.8
197.09625	1.4
204.90669	0.7
205.12234	11.7
207.10083	8.5
210.61830	0.8
215.10600	10.1
215.14067	0.6
225.11221	1.1
231.10182	1.0
233.11700	15.9
233.15294	10.7
251.12778	7.8
251.16360	3.5
269.13797	5.8
269.17239	0.7
273.11093	1.5
287.05188	0.7
291.12222	2.9
303.04959	6.1
304.05124	0.8
315.99893	0.6
361.02219	4.1
362.02051	0.7
377.12100	1.4
379.03055	3.0
384.24533	0.6
395.13269	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	448.1935
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05022	2.3
57.08982	0.5
60.05631	0.7
67.68781	0.5
69.03410	2.6
74.24069	0.6
83.06071	2.8
83.89840	0.4
91.05466	0.6
96.25652	0.5
97.07623	0.6
105.03372	3.2
105.05765	0.8
106.06535	1.1
111.05546	8.5
113.07079	0.9
115.03900	3.2
120.04441	22.7
123.05447	0.5
126.06593	15.5
127.07413	0.6
127.68216	0.5
132.04416	32.6
132.08017	0.7
133.05251	0.6
134.05989	14.9
137.04655	2.0
140.08150	1.9
145.03926	0.7
146.02397	1.1
151.06108	14.8
159.05408	0.6
160.59262	0.5
162.06630	0.7
168.08757	4.0
183.04453	0.6
185.07100	1.0
189.05321	0.7
199.68889	0.6
202.09703	25.0
215.08174	0.9
216.11320	4.6
230.09186	14.4
231.12419	1.0
232.10710	6.6
242.09241	5.8
257.10248	7.9
259.11829	100.0
277.12851	3.2
284.11340	8.8
289.83948	0.5
301.14029	6.3
302.12399	40.5
319.15195	0.7
362.18069	1.1
382.16840	0.5
384.00528	0.6
406.17126	15.2
448.19296	81.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.3464
Annotation	Gibberoketosterol
Peak:m/z	Relative Intensity
55.05503	30.4
55.78501	1.7
56.19833	1.7
57.03434	1.9
57.07067	22.4
67.01822	2.5
67.05484	10.9
69.07053	75.7
71.08617	4.8
79.05453	3.8
81.07040	26.9
83.04967	2.5
83.08599	30.8
88.66203	2.1
91.05459	3.9
92.08581	2.5
93.07036	17.0
95.08581	21.8
97.10150	12.6
105.07005	13.6
107.08584	10.2
109.06480	4.1
109.10149	10.0
111.11690	8.1
119.08566	10.8
121.06489	3.8
121.10131	3.1
123.08044	2.4
123.11652	2.6
125.13260	2.3
129.07031	2.4
131.08524	3.4
133.10080	4.2
135.07986	4.0
137.05948	21.9
137.13228	2.2
139.03899	2.4
139.07512	9.2
141.05438	3.0
145.10065	2.5
147.08029	2.4
149.05937	5.1
149.13187	2.3
151.07509	42.0
157.10078	3.2
159.11659	4.9
161.05943	4.0
161.09567	2.8
161.13280	2.3
162.92020	2.0
165.05460	12.1
165.09106	16.8
166.09454	3.8
167.07010	100.0
175.07472	3.7
177.09018	2.2
179.06964	5.0
179.10687	2.3
181.08604	2.1
189.09070	4.3
191.06992	4.2
193.08556	4.3
203.10576	3.2
205.08604	9.2
207.10139	13.3
221.11703	2.5
347.25601	7.8
411.32355	3.2
429.33463	56.7
447.34741	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	447.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82695	1.8
51.02362	1.6
53.03944	8.2
55.01856	11.9
55.05503	38.4
55.19567	1.9
56.56364	1.7
56.96555	11.3
57.03425	14.1
59.04968	2.0
61.02896	2.9
65.03919	3.3
67.05490	58.2
69.03410	4.8
69.07046	19.1
71.04982	4.1
71.67635	1.9
71.82870	1.8
79.05471	55.4
81.03401	51.8
81.07034	40.4
83.04954	11.6
83.08602	19.3
84.08382	2.5
85.02872	4.7
85.06533	3.1
87.73954	2.2
91.05458	55.1
92.08645	4.0
93.07014	51.8
95.04936	37.4
95.08582	23.6
97.02868	4.7
97.06516	10.5
97.10130	12.5
105.07016	30.7
107.04926	26.8
107.08594	30.3
108.05381	2.1
109.06516	9.6
109.10120	11.0
111.08072	4.2
115.05344	3.3
117.06989	19.6
119.04944	2.4
119.08540	30.0
121.02798	3.3
121.06479	20.9
121.10131	11.9
123.08054	3.8
125.09601	8.5
128.06175	3.5
129.06998	19.6
131.04903	13.1
131.08530	20.4
133.06435	8.5
133.10085	12.3
135.08054	3.5
135.11653	18.5
137.09560	5.1
141.07007	3.2
142.07780	3.6
143.08517	8.9
145.06398	8.3
145.10081	11.1
147.08046	11.4
147.11655	9.1
149.09627	9.1
155.08546	10.9
157.06502	2.9
157.10104	12.1
159.08090	3.0
159.11644	4.5
163.11151	3.3
165.09186	3.7
169.10062	2.8
173.13216	3.2
175.11180	9.0
183.11646	4.3
185.09590	3.0
185.13229	2.1
189.03032	3.1
193.12248	8.7
203.10724	2.5
203.14304	2.6
213.12773	2.9
225.12697	3.1
243.06525	2.6
249.14975	3.1
250.43108	2.1
275.94156	2.2
329.21124	7.8
337.21826	2.3
347.22559	2.7
355.22574	12.1
360.11179	4.3
360.61035	2.4
373.23572	3.8
400.65479	2.2
403.24594	17.1
429.26337	12.2
447.27347	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1816
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
54.70861	0.6
55.01853	0.9
55.05495	2.4
56.04992	0.5
57.03423	16.5
58.55486	0.4
59.04985	0.9
60.04516	0.6
61.02921	0.9
67.69860	0.5
68.55080	0.5
69.03398	1.2
70.06581	0.8
71.04973	91.2
73.02892	3.3
75.04456	5.1
81.03381	1.1
81.91610	0.6
83.04971	8.0
85.02884	100.0
86.09692	1.0
87.04444	1.3
91.05452	0.7
97.02863	3.4
98.97556	0.9
99.04415	1.1
103.03914	0.9
107.04939	0.7
109.02843	1.2
111.04402	4.6
127.03870	3.0
127.34135	0.6
129.05443	33.2
135.71924	0.5
145.04929	2.3
147.06485	12.5
164.09117	5.3
198.64359	0.5
220.15068	0.6
301.12225	0.8
309.11551	1.0
444.18015	0.6
447.22217	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.1434
Annotation	Longicaudatin
Peak:m/z	Relative Intensity
50.51279	0.5
55.01859	1.1
67.05471	0.8
81.07068	1.0
91.05421	1.2
92.99761	2.4
93.07000	0.5
107.04952	3.8
121.02834	2.3
129.06967	0.6
131.04893	0.5
137.02312	0.9
137.05972	2.4
143.36302	0.5
146.90822	0.5
147.04422	1.0
149.02383	0.6
149.46553	0.5
150.34387	0.6
151.07547	0.7
181.01277	6.2
181.06389	0.7
191.03392	3.2
215.03531	0.6
237.05447	5.8
241.04871	3.0
243.10159	0.8
255.06387	2.5
265.04883	20.3
283.05954	100.0
284.06409	1.0
291.06412	1.0
295.05881	2.9
299.18359	0.6
309.07468	2.0
327.08575	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90329	0.2
53.03918	0.2
55.01848	0.3
55.05487	0.4
56.96552	0.3
57.03425	0.4
58.61956	0.2
59.04993	0.3
64.72646	0.2
65.03925	0.3
67.05480	0.3
68.99779	1.1
69.03405	0.5
69.07042	0.4
71.04953	0.5
73.02900	19.3
74.15361	0.2
79.05464	1.2
81.03389	0.5
81.07038	1.4
83.04955	0.4
85.02877	1.6
87.04444	1.8
91.05449	0.6
93.07019	1.6
95.04938	0.5
95.08580	1.3
97.06504	0.9
99.04439	0.4
105.06960	0.9
107.04797	0.3
107.08573	1.3
109.02853	1.0
109.10161	0.3
111.00792	2.0
111.04430	0.3
111.24631	0.2
119.08535	0.5
119.44135	0.2
121.02814	2.0
121.10087	0.5
123.04397	1.0
127.03957	0.4
133.10161	0.3
135.04390	0.3
135.08109	0.3
137.02309	6.2
137.68915	0.2
141.05458	0.5
145.10127	0.5
147.11702	0.3
151.03995	0.3
153.01813	6.6
153.05365	0.6
155.04866	0.3
161.05951	0.6
163.03889	1.1
165.01817	3.4
169.04927	1.4
170.05679	0.3
173.06007	0.4
177.05609	0.3
183.02870	1.6
183.04359	0.4
187.03894	0.5
195.02797	0.3
201.05443	3.7
205.04936	0.3
207.02840	0.3
211.03966	0.3
219.06433	0.5
228.04367	0.3
229.04906	6.7
231.13565	0.3
247.05968	1.0
249.14929	0.4
257.04395	5.3
268.16409	0.3
274.04645	1.3
275.05405	0.3
285.04004	2.5
285.06677	0.4
285.16772	0.4
303.04938	100.0
304.05280	1.1
311.98853	0.2
447.22098	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	447.0921
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56925	0.4
53.03907	0.4
53.72277	0.4
55.05487	1.1
57.03389	0.5
59.04967	0.6
59.61604	0.4
60.21953	0.4
61.02868	3.5
61.03148	0.8
68.99723	3.2
69.03383	1.1
71.04946	0.9
81.03357	0.5
81.07008	0.8
83.04922	1.0
91.05422	0.7
93.06988	0.9
95.04919	0.4
95.08527	0.7
99.04377	0.6
109.02804	1.0
111.00731	2.1
123.04360	0.6
131.04919	0.5
135.04359	0.5
135.11615	0.5
137.02315	1.2
147.04327	2.1
149.05940	0.5
153.01808	21.4
155.04858	0.6
157.06456	0.7
159.04369	0.6
161.02312	1.0
161.05859	0.6
163.03856	1.0
165.01796	1.1
171.04346	1.1
175.03914	5.5
183.04372	0.8
185.05928	2.6
187.03793	2.4
189.01785	2.8
189.38678	0.5
197.05846	0.7
199.03825	2.5
201.05472	1.2
203.03345	10.3
203.06929	0.6
207.02863	1.9
211.03906	2.0
213.05444	3.6
215.03448	0.9
217.04837	0.7
222.82188	0.6
225.05434	0.8
227.03317	0.8
229.01430	0.5
229.04971	5.4
231.06471	1.0
239.03305	2.9
241.04797	2.7
243.02814	5.3
245.04297	0.9
249.05243	0.6
253.04915	3.3
255.02852	6.9
257.04330	2.7
258.05206	3.4
259.05930	2.7
266.05750	1.0
267.02679	0.6
267.06412	3.2
268.03580	2.4
269.04361	7.1
271.02509	0.5
271.05978	0.5
273.03833	6.3
277.04959	0.6
281.04401	0.9
283.02286	3.2
284.03134	0.5
285.03958	7.0
286.04654	8.0
287.05411	2.4
291.06329	0.7
295.05957	5.0
296.03174	6.9
297.03864	18.8
297.07007	1.0
298.04666	2.5
301.03354	8.9
303.04874	2.2
305.04282	2.4
311.01852	1.0
311.05426	1.8
313.03366	37.9
314.04095	11.3
315.04959	3.3
319.05939	2.1
322.04578	1.1
323.05347	3.6
325.03384	2.9
327.04855	2.0
329.02841	14.5
329.06238	0.6
333.03821	0.9
334.04559	0.5
339.05084	0.8
341.02768	1.1
341.06464	10.3
343.04425	100.0
347.05426	6.1
349.03040	0.6
350.04233	1.1
351.04803	6.5
353.02765	4.5
365.06616	2.1
369.05966	7.4
385.05569	2.8
393.05963	41.4
394.06311	0.7
411.06998	17.1
429.08109	2.4
447.09152	29.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.238
Annotation	Unknow
Peak:m/z	Relative Intensity
52.40656	0.8
53.03933	4.1
53.10632	0.7
55.05500	4.2
57.03402	0.8
57.07055	1.2
59.04993	1.3
61.02908	3.4
62.04976	0.8
65.92501	0.8
67.01847	3.2
67.05486	8.4
68.99759	0.9
69.03422	14.1
69.07067	10.8
71.04983	1.2
72.94592	0.7
73.02895	1.0
74.99530	0.7
78.90433	0.9
79.05460	6.3
81.03394	5.6
81.07077	6.0
83.04962	15.5
83.08618	1.0
85.02887	22.1
87.04440	1.4
91.05452	21.5
93.07019	12.8
94.02126	0.8
95.04945	11.7
95.08575	5.4
97.02874	7.8
97.06512	9.3
99.04403	1.1
105.07005	14.8
107.04945	1.8
107.08570	54.2
109.02854	30.3
109.06504	8.8
109.10150	9.2
111.04410	4.1
111.08070	1.3
113.05973	3.5
115.03975	1.0
115.05437	5.1
116.06235	2.0
117.07001	33.7
119.04977	1.3
119.06136	1.3
119.08552	44.5
121.06492	6.4
121.10133	10.2
123.04414	4.1
123.08006	2.0
125.06029	1.0
125.09573	1.0
127.03876	1.9
129.07010	5.0
131.08559	4.4
133.04973	1.5
133.06508	6.3
133.10081	10.3
135.04416	1.2
135.08018	36.3
137.05931	5.7
137.09592	10.3
139.07474	1.6
143.08549	4.3
145.04971	1.4
145.10121	5.3
147.04439	1.0
147.08028	79.3
147.11632	1.8
149.05927	1.2
149.09593	15.6
151.07497	2.0
153.09190	0.9
157.10112	5.6
159.11682	3.4
161.05946	4.3
161.09605	8.3
161.13220	10.0
163.07594	1.0
165.09044	12.9
170.10887	3.5
171.11685	3.6
173.09550	3.4
175.07503	27.1
175.14789	4.6
179.06934	0.9
185.13268	8.8
189.09119	3.3
189.12668	8.4
195.11668	1.0
203.14282	9.5
213.12740	7.0
213.78770	1.0
231.10176	1.7
231.13747	40.6
249.11145	5.2
249.14801	100.0
267.15866	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.2
55.01857	8.3
55.05479	1.5
57.03427	18.9
59.04984	2.2
60.35630	0.8
61.02913	21.7
67.05472	1.0
69.03412	31.2
69.07043	1.2
71.01321	5.5
71.04974	1.8
71.39880	0.8
73.02895	100.0
74.80898	0.9
76.26775	0.8
81.03394	8.7
81.07028	4.4
82.59184	0.9
83.04951	1.7
85.02885	66.3
85.06503	1.3
86.09678	4.1
87.04430	4.9
91.03931	1.9
91.05436	3.3
93.07027	1.9
93.26446	0.7
95.04945	1.6
95.08575	1.6
96.04515	1.0
97.02867	41.2
97.06487	3.5
99.04421	2.2
101.22604	0.9
101.59269	0.8
103.03912	1.3
105.07019	4.5
107.04885	1.9
107.08567	2.1
109.02877	6.9
109.06516	1.0
109.10137	1.1
110.03696	1.1
111.04349	1.1
115.03910	22.1
119.08565	4.0
120.08076	6.6
121.08389	1.3
121.10116	0.9
123.04504	1.1
123.07978	1.3
127.01839	1.1
127.03901	18.0
131.04865	1.1
131.08531	1.5
133.04945	18.1
133.10112	1.9
135.08022	1.5
139.03880	1.0
143.08562	1.5
145.04924	22.5
145.10098	4.0
147.07999	2.1
150.07571	3.5
153.01830	1.1
156.09273	1.1
159.11662	1.2
161.05829	0.9
161.13190	2.0
163.03871	1.0
163.05937	6.3
163.07329	1.3
171.02797	2.1
171.08002	1.7
175.07489	1.3
180.08640	1.4
185.04445	1.0
185.13129	1.1
186.05107	1.9
187.68803	1.0
189.08916	1.4
201.09099	1.1
214.34654	0.9
223.05884	1.6
231.13757	3.9
241.07013	1.4
249.11096	1.4
249.14870	6.7
259.07983	3.4
295.10110	1.8
303.04843	3.9
343.04459	6.7
458.21191	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	446.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	0.6
55.05494	0.7
56.05027	3.9
56.96550	0.4
57.03421	1.4
58.06584	0.7
60.04514	3.8
60.04775	0.4
61.02904	1.3
68.05003	1.1
69.03416	5.8
69.07043	0.4
70.06575	7.8
71.04966	1.8
72.08138	7.0
73.02892	1.3
74.02420	0.7
74.06052	1.2
79.59386	0.3
81.03405	1.4
83.04984	0.3
84.04488	100.0
84.08130	4.2
85.02420	0.4
85.02887	8.2
85.04790	0.5
86.06047	8.4
86.09670	0.6
87.03931	0.6
87.04446	14.1
87.06381	0.5
88.03967	5.0
90.05502	0.5
97.02855	3.2
98.06030	0.6
98.97555	1.9
99.04411	0.4
101.02412	0.3
101.05984	1.3
102.05519	36.4
104.07086	17.2
104.10722	0.5
105.29803	0.3
106.05002	4.6
107.04922	0.3
109.02854	0.6
112.99109	0.3
114.05477	0.4
116.07059	8.7
116.98576	1.2
118.08648	2.1
119.01840	0.3
120.06557	0.5
127.03875	2.3
130.04974	38.6
130.08618	4.3
131.00108	0.4
131.03374	0.4
132.06526	1.3
134.05983	0.4
134.91554	0.3
136.67586	0.3
137.05891	0.4
137.08092	0.4
138.05423	0.4
145.01633	0.3
145.04958	1.3
146.08214	0.3
147.07579	0.6
148.06021	62.8
150.05504	0.3
151.03838	0.6
152.05646	12.7
152.06828	0.5
153.04027	1.1
158.99655	0.5
161.02809	0.3
162.05446	0.5
163.02753	0.4
163.05771	0.5
164.05676	0.4
167.09041	0.3
169.04382	1.7
170.03789	0.3
173.09186	0.6
175.02771	0.5
176.05612	1.6
177.00662	0.4
178.04903	2.8
178.55020	0.5
193.03682	0.4
194.06682	0.5
204.06482	0.4
205.06839	0.4
217.62781	0.3
237.02765	0.6
246.11624	0.4
247.04674	0.3
259.07394	0.4
260.07626	0.5
314.10770	1.8
355.09082	0.4
446.10669	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3669
Annotation	Unknow
Peak:m/z	Relative Intensity
53.60284	0.1
55.05500	2.0
57.07055	0.6
67.05489	3.9
69.07066	1.6
78.84087	0.1
79.05450	0.3
79.58219	0.1
81.06602	0.2
81.07034	3.3
83.04943	0.7
83.08601	0.7
83.92942	0.1
91.05450	0.7
92.09300	0.2
93.07024	0.8
95.04920	0.3
95.08587	2.3
97.10143	0.3
105.07024	0.3
107.04931	0.6
107.08579	0.6
109.10143	6.0
111.11741	0.2
114.79967	0.2
119.08564	3.2
121.10137	0.2
122.07245	1.7
123.11646	0.8
127.63235	0.1
131.08568	0.2
135.08047	0.2
135.11700	0.2
137.09589	15.3
147.08102	0.2
149.09576	0.7
150.26065	0.1
153.09093	0.2
163.63878	0.1
165.09073	100.0
166.09369	0.5
189.12744	0.2
197.43077	0.1
238.00760	0.1
266.86020	0.1
437.56171	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	74.4
57.07062	57.7
67.05488	45.2
69.03395	13.9
69.07057	84.7
71.08617	32.2
79.05480	18.3
79.88777	7.6
81.03396	7.9
81.07054	76.8
83.04970	11.9
83.08598	53.9
85.10181	19.6
91.05428	8.7
91.10029	8.4
92.08710	17.1
92.63383	9.8
93.07036	14.2
93.66506	7.7
95.08592	96.4
97.10152	34.8
103.02084	9.2
105.07028	15.2
107.08572	34.9
109.10128	47.6
111.04408	14.7
119.08550	18.4
121.10102	32.5
123.08057	38.1
129.05418	10.9
129.88153	8.2
133.06445	14.2
133.10106	16.2
137.09573	43.4
145.10152	9.4
147.11650	9.2
151.07463	17.3
165.09079	100.0
169.08560	81.7
179.17944	10.5
189.56529	8.4
202.51752	8.4
242.93024	7.8
320.05365	9.5
370.76068	8.3
399.43597	8.9
459.05246	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	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	49.1
57.07061	20.8
67.05487	30.0
67.55519	4.7
69.07051	72.2
71.08598	9.7
79.05476	5.8
81.07036	54.3
83.08591	45.8
91.05479	8.3
93.07025	19.1
95.08583	67.9
97.10159	11.4
104.08924	6.1
105.06978	11.5
107.08569	12.6
109.06423	4.8
109.10151	32.6
111.11658	7.3
119.08565	17.7
121.10087	8.5
123.08024	34.9
123.11700	10.3
131.08611	4.7
133.06470	6.0
135.11638	8.3
137.09543	39.8
151.07550	23.1
161.09554	6.4
162.93132	4.7
165.09048	53.3
169.08580	100.0
204.87491	5.1
215.62950	5.7
293.90173	5.3
416.97949	5.1
443.73807	6.3
445.36475	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	445.3672
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.7
53.03940	0.5
54.81995	0.4
55.01849	0.9
55.05266	0.7
55.05504	13.9
57.03408	0.4
57.06865	0.4
57.07066	5.9
60.05616	2.5
61.94899	0.4
66.08459	0.4
67.05496	5.3
69.07058	25.0
71.08601	2.6
79.05491	0.7
81.07030	8.1
83.04953	0.9
83.08601	10.1
85.06543	0.6
91.05437	2.8
93.07018	4.2
93.10995	0.4
95.08589	7.4
97.10142	5.2
98.92907	0.5
99.04436	0.6
100.06136	0.4
104.21685	0.6
105.06991	3.0
107.08598	6.3
109.10136	9.1
111.11702	0.9
119.08577	4.3
121.06464	1.1
121.10147	3.8
122.07259	2.5
123.07999	0.9
123.11691	2.2
129.06976	0.5
129.95496	0.5
131.08562	1.8
133.10101	1.8
135.08041	4.7
135.11676	2.0
137.09599	13.7
137.13249	0.5
139.07541	1.1
143.08531	0.8
145.10110	2.0
147.08020	0.5
147.11656	0.7
149.09601	12.5
149.13235	0.6
151.07588	0.9
157.10114	0.5
159.08022	0.6
159.11694	1.0
160.08879	0.6
161.05896	0.6
161.09541	1.0
162.06683	0.9
163.11147	11.2
165.09081	100.0
166.09363	0.7
171.11595	0.5
173.09579	2.5
173.13234	0.8
175.07556	0.8
175.11145	3.7
176.08279	0.8
177.09059	6.4
177.12689	1.9
179.10699	0.9
187.11157	2.2
189.09056	2.9
189.12697	2.1
190.09781	0.7
191.10646	6.7
192.98387	0.5
199.11171	2.6
201.12743	1.2
203.10619	5.5
205.12184	6.8
215.14284	1.1
216.68365	0.6
217.12282	0.7
219.13748	1.1
233.15366	0.9
427.35550	7.3
445.36664	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	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	19.2
57.07068	8.6
62.49319	0.7
63.56564	0.6
66.71264	0.8
67.05503	6.8
69.07052	45.1
71.08605	3.9
79.05474	1.9
81.07034	11.2
83.08604	16.5
85.10140	0.9
91.05466	1.1
93.07022	4.7
95.08585	8.5
97.10138	7.9
104.60100	0.8
105.07006	1.6
107.08547	4.3
109.10133	7.3
111.11699	4.4
114.06260	0.8
119.08550	5.9
121.06474	0.8
121.10108	4.0
123.11691	1.6
130.41527	0.8
131.08534	1.9
133.10149	2.0
133.97063	0.8
135.08032	4.3
135.11652	3.0
136.36281	0.8
136.93143	0.8
137.09595	13.4
139.07475	1.2
145.10098	1.6
149.09592	16.1
153.19930	0.8
159.11705	1.0
161.09514	1.1
163.11093	8.7
165.09076	100.0
171.11734	0.8
173.09601	1.4
174.10396	0.9
175.07498	1.3
175.11122	4.4
176.08311	1.7
177.09052	7.6
177.12749	1.1
185.13170	1.4
187.11214	1.6
189.09065	4.4
189.12814	3.2
190.09851	1.4
191.10609	7.4
195.72694	0.8
198.10585	0.8
201.12737	0.9
202.09717	1.0
203.10614	10.3
203.14302	3.0
205.12192	14.5
215.14270	1.1
217.12305	1.3
219.13844	1.4
222.24338	0.8
231.13689	1.4
345.27966	1.6
356.00305	0.8
415.83844	0.9
427.35553	20.6
428.36383	1.3
445.37067	2.7
455.77036	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.3671
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22270	0.4
51.29832	0.5
52.90652	0.4
53.86879	0.4
54.81979	0.4
55.05502	15.1
56.69218	0.4
57.03421	0.5
57.07061	5.8
58.84358	0.5
67.05488	5.5
69.07053	23.4
71.08612	1.0
72.46684	0.5
79.05460	1.1
81.07030	7.9
83.04974	0.8
83.08604	8.5
91.05452	2.0
93.07034	3.7
95.08579	7.2
97.10156	5.5
105.07000	2.2
107.08572	4.5
109.10141	7.0
111.11742	2.1
119.08581	4.7
120.83266	0.6
121.10118	2.9
122.07254	1.0
123.08038	0.6
123.11678	1.0
125.05967	0.6
131.08531	1.2
133.10106	1.1
135.08037	3.4
135.11673	0.8
136.08820	0.7
137.09581	14.9
139.07506	0.7
141.44870	0.6
143.39238	0.5
145.10098	2.4
147.11676	0.6
149.09608	11.9
149.13274	0.8
151.07491	1.2
151.42741	0.5
157.10062	0.9
159.08072	0.7
159.11691	0.8
160.08812	0.6
161.09575	0.5
162.06740	1.0
163.11133	12.3
163.84731	0.5
164.08267	0.9
165.09074	100.0
166.09471	0.6
171.11736	0.7
173.13213	0.7
175.07506	0.6
175.09818	0.5
175.11124	5.3
175.69244	0.5
176.08235	0.7
177.09096	6.5
187.11191	1.3
189.09106	2.8
189.12779	0.9
190.09898	1.0
191.10646	6.6
199.11168	2.7
201.12772	1.0
203.10649	4.9
203.14275	1.1
205.12222	7.4
217.12175	0.8
219.13777	2.3
267.47287	0.5
427.35712	5.1
445.36688	11.0
446.36969	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	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00272	0.8
55.05266	0.9
55.05506	16.1
56.05782	0.5
57.07067	8.5
62.93248	0.6
67.05488	5.1
69.07056	38.4
71.08608	3.7
71.88177	0.7
79.05457	2.9
81.07040	13.8
82.28246	0.6
83.04957	1.0
83.08607	15.9
85.10165	1.4
91.05457	1.4
93.07008	3.5
93.16767	0.7
95.08585	10.0
97.10147	7.1
105.06992	2.7
107.08590	5.4
109.09569	0.7
109.10157	8.5
111.04400	0.9
111.11697	3.2
119.08553	5.3
121.06525	0.8
121.10115	4.3
123.11669	1.7
128.22556	0.7
131.08502	1.0
135.07999	3.6
135.11656	1.7
137.09607	11.6
139.07561	2.5
142.07642	0.7
143.08498	0.9
145.10103	3.1
147.11627	1.0
149.09605	16.1
151.07498	1.3
159.11679	3.3
161.09547	2.5
163.11160	8.1
165.09081	100.0
171.11697	1.4
173.09589	2.9
175.07509	0.9
175.11179	6.0
176.08385	0.9
177.09059	9.0
177.12767	2.6
179.10649	3.0
185.13219	0.7
187.11137	4.0
188.11775	0.9
189.09073	4.6
189.12762	2.4
190.09789	1.0
191.10654	8.4
199.11168	0.7
201.12796	2.5
202.09869	1.4
203.10616	9.7
203.14279	3.0
205.12218	12.9
216.11391	1.0
217.12138	1.0
219.13771	3.2
228.31174	0.8
229.12178	0.9
231.13745	1.7
232.51816	0.7
320.71121	0.7
345.27634	1.1
359.53250	0.7
371.29642	0.7
399.32144	1.2
427.35696	21.5
445.36484	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	445.3674
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99537	0.1
53.03930	0.1
55.05500	1.6
57.07053	0.5
66.47890	0.1
67.05490	3.9
69.07053	2.3
70.99821	0.1
79.05466	0.5
81.06595	0.2
81.07040	3.7
83.04953	0.3
83.08617	0.9
86.30141	0.1
91.05454	0.6
92.08664	0.3
93.07020	0.9
95.08585	2.4
97.10146	0.4
97.47269	0.1
97.50740	0.1
105.04487	0.1
105.06991	0.2
107.04898	0.2
107.08561	0.7
109.06478	0.2
109.10141	6.2
111.11686	0.2
119.08553	2.7
121.06441	0.1
121.10129	0.3
122.07276	1.7
123.08070	0.1
123.11655	0.9
135.08014	0.1
135.11673	0.1
137.09593	14.4
139.15656	0.1
153.09106	0.1
165.09076	100.0
166.09373	0.8
166.46793	0.1
347.81094	0.1
445.32782	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.2066
Annotation	Dendromoniliside C
Peak:m/z	Relative Intensity
51.28374	0.8
53.03928	1.1
55.01856	1.8
55.05494	3.7
56.96552	1.0
57.03407	1.2
65.03921	1.9
67.05488	9.9
69.03409	15.4
69.07044	1.8
70.06593	1.0
71.04968	3.8
73.46455	0.8
76.48396	0.9
79.05474	9.0
80.22903	0.9
80.28110	0.9
81.03392	1.1
81.07050	7.8
83.04958	3.6
85.02876	5.8
86.09682	0.9
91.05460	13.8
93.07022	15.1
95.04951	19.9
95.08583	8.1
97.02856	3.8
97.06489	1.6
98.97563	4.5
99.04419	1.5
102.22369	0.8
105.07015	25.1
107.04978	2.8
107.08599	6.4
109.02849	1.6
109.06514	10.7
109.10117	2.1
111.04433	9.8
111.08092	1.8
113.05940	6.8
115.05486	1.1
116.07057	0.9
117.06974	4.6
119.08560	38.0
121.02830	1.7
121.06483	16.6
121.10098	4.5
123.08054	11.0
124.02190	0.9
127.03985	1.2
128.06180	1.0
129.06982	7.1
130.07741	1.1
130.46071	0.9
131.04935	1.2
131.08533	17.1
133.06468	4.2
133.10114	7.0
135.07082	1.3
135.08025	24.6
137.09566	7.0
139.03908	1.6
139.07515	1.3
141.06975	1.8
142.07732	4.7
143.08572	6.7
144.05692	1.3
144.09355	1.7
145.06485	6.6
145.10123	13.7
147.04382	1.4
147.08032	17.6
147.11661	6.7
149.05890	3.5
149.09616	5.3
151.07599	1.2
155.08521	2.1
156.09291	2.2
157.06512	1.0
157.10069	9.5
158.07281	8.1
158.10823	1.4
159.08044	16.3
159.11682	15.9
161.09593	14.1
165.09094	11.7
167.07047	1.6
168.09312	1.9
169.10056	1.8
171.07994	4.2
171.11641	4.5
172.08827	10.7
173.09665	6.6
173.13225	8.3
174.06807	1.5
175.07510	24.3
175.11203	11.7
181.10059	1.1
183.11635	5.9
184.08698	1.5
185.09508	1.6
186.10425	3.4
187.07384	1.4
187.11147	16.1
189.09039	5.1
189.12700	7.2
193.08569	5.5
193.10118	1.2
196.08833	3.8
199.11130	5.9
201.12720	13.6
203.10657	15.6
211.11185	7.2
217.12202	8.8
219.13759	2.1
229.12173	7.7
235.13234	1.9
237.02881	1.3
237.12389	1.2
247.13245	27.1
265.14291	100.0
306.33929	1.0
352.13226	1.0
379.06870	1.1
445.14484	4.8
445.19748	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	445.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	1.9
53.53250	1.1
55.01858	1.3
55.05500	2.8
57.03419	2.8
61.02924	1.4
64.33189	1.5
67.05477	10.0
69.03396	13.7
70.06593	1.5
79.05477	6.1
81.07031	7.5
83.04964	2.5
85.02882	8.5
87.04444	1.6
91.04983	1.9
91.05451	16.3
93.07019	14.5
95.04943	16.7
95.08590	9.9
97.02886	3.3
97.06490	1.7
97.49448	1.5
98.97561	7.4
105.07016	26.3
107.04937	3.0
107.08562	8.8
109.02826	2.1
109.06492	15.7
109.10130	1.8
111.04433	10.7
111.08096	2.1
113.05973	5.8
116.98567	2.2
117.07008	6.1
119.08553	31.6
121.02854	2.0
121.06487	19.1
121.10102	3.7
123.08045	13.1
128.11159	1.4
129.06970	3.7
131.08537	21.9
133.06491	2.9
133.10117	9.9
134.99699	1.9
135.08035	27.9
137.05968	2.5
137.09590	3.8
139.03926	3.4
139.07497	2.0
141.06927	2.5
142.07768	1.7
143.08537	5.9
144.09361	2.4
145.06491	7.4
145.10097	13.2
147.08026	16.3
147.11684	8.6
149.08435	1.7
149.09648	2.8
155.08463	2.9
156.09270	2.9
157.10118	6.0
158.07248	8.9
159.08023	16.3
159.11627	14.4
161.05971	2.5
161.09616	15.5
163.07552	1.6
165.09084	9.2
168.09337	2.7
169.09978	2.7
171.07961	1.8
171.11673	2.1
172.08781	7.9
173.09622	8.5
173.13235	8.7
175.07530	26.6
175.11153	15.8
183.11620	3.7
185.09549	2.0
186.10326	2.9
187.11133	14.2
189.09151	2.7
189.12715	2.5
193.08499	1.9
199.11166	9.1
201.12656	13.6
201.87144	1.7
203.10704	13.5
207.10188	1.7
211.11180	8.3
217.12256	10.5
219.13750	2.8
229.12239	7.4
237.02644	1.9
247.13243	25.0
265.14282	100.0
299.76352	1.9
408.02451	1.6
445.14355	6.6
445.20294	6.5
455.50049	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	445.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97160	1.1
53.03926	1.5
54.59982	1.2
55.01846	1.8
56.96544	6.0
57.03418	2.4
63.24196	1.1
67.05497	5.3
69.03388	1.4
79.05459	5.6
81.07030	3.0
83.08595	2.0
85.02864	2.1
87.04429	2.0
91.05418	2.9
92.09412	3.2
93.07006	6.1
95.04962	2.9
95.08578	3.3
103.05446	9.8
105.07004	13.6
107.04932	100.0
109.06462	1.8
109.10139	2.7
115.05331	1.5
119.08572	1.9
120.05708	2.5
121.06454	6.8
121.10069	2.1
128.87845	1.9
131.04866	2.1
135.08052	15.3
137.05971	11.0
137.09569	2.9
137.46469	1.4
138.36005	1.3
142.94148	1.7
147.04332	1.9
148.05125	3.4
149.05887	1.7
151.07535	1.8
161.05927	1.9
163.07549	10.5
165.09052	33.2
165.29846	1.5
191.06992	7.6
193.08728	1.9
217.07558	2.3
233.07458	1.4
243.10115	15.8
247.08456	1.9
252.67633	1.6
262.42343	1.6
307.09662	2.1
339.12277	1.7
445.16367	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	444.2436
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.6
54.57118	0.2
55.01869	0.5
55.05503	2.1
57.03428	13.2
57.07067	4.4
57.82608	0.2
59.04987	1.1
59.19759	0.3
61.02908	1.8
63.04476	3.5
69.03416	1.6
69.07018	0.3
70.06577	0.3
71.01332	0.6
71.04977	84.7
73.02896	2.8
74.74912	0.3
75.04457	4.6
75.69952	0.3
81.03382	0.6
83.04469	0.3
83.04964	8.9
85.02889	100.0
86.09686	2.6
86.61258	0.3
87.04456	1.8
92.09197	0.4
96.34432	0.3
97.02886	3.1
99.04436	1.5
101.06000	0.5
103.03905	0.5
109.02848	1.1
111.04427	5.8
119.10673	9.3
123.04418	0.3
126.21584	0.2
127.03894	2.4
128.10695	0.6
129.05453	25.9
129.79433	0.3
139.86998	0.3
145.04970	1.5
146.08089	0.3
147.06499	14.7
156.11269	0.4
164.09113	1.5
229.14261	0.3
255.08488	1.6
265.16467	2.9
273.09613	1.2
309.11771	1.6
312.00983	0.4
403.69653	0.3
443.29459	0.4
444.29639	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92083	0.1
53.03946	0.3
69.03429	0.2
70.06574	0.6
81.04533	0.8
82.04862	0.2
82.05323	0.2
85.02881	0.7
91.05449	1.5
93.07019	4.2
95.04943	0.6
99.99872	0.1
103.05441	3.1
121.06480	100.0
122.07138	3.2
123.07985	2.9
124.08295	1.2
126.41908	0.1
127.03886	0.2
137.05852	0.2
138.09116	31.6
139.09456	0.7
147.04343	0.2
151.03893	0.8
153.05405	0.2
159.41805	0.2
234.21494	0.2
281.10580	0.3
282.10852	1.1
335.21991	0.2
385.02344	0.2
444.16064	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	444.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.92083	0.1
53.03946	0.3
69.03429	0.2
70.06574	0.6
81.04533	0.8
82.04862	0.2
82.05323	0.2
85.02881	0.7
91.05449	1.5
93.07019	4.2
95.04943	0.6
99.99872	0.1
103.05441	3.1
121.06480	100.0
122.07138	3.2
123.07985	2.9
124.08295	1.2
126.41908	0.1
127.03886	0.2
137.05852	0.2
138.09116	31.6
139.09456	0.7
147.04343	0.2
151.03893	0.8
153.05405	0.2
159.41805	0.2
234.21494	0.2
281.10580	0.3
282.10852	1.1
335.21991	0.2
385.02344	0.2
444.16064	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	444.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14730	0.9
51.39814	1.0
55.01850	2.1
55.05504	4.5
56.96568	1.7
57.03423	1.7
61.02911	1.6
61.76299	1.0
65.88597	1.3
67.05480	6.5
69.03410	6.6
69.07047	6.5
69.85408	1.1
73.02914	1.3
79.05458	9.7
81.03381	1.7
81.07032	5.4
83.04935	4.8
85.02881	11.4
91.05441	7.2
93.07013	10.1
95.04952	7.8
95.08565	5.3
97.02862	3.0
97.06510	33.2
99.04406	1.5
105.07008	21.8
107.04939	1.6
107.08566	7.2
109.02847	1.9
109.06474	4.8
109.10082	1.5
109.38953	1.3
111.04419	13.0
113.02300	1.4
117.06967	5.5
119.08553	19.1
121.06440	5.3
121.10098	2.8
123.04395	7.7
123.08003	5.1
127.03894	5.7
129.06958	2.4
130.07709	2.3
131.08548	20.0
133.01698	1.4
133.10138	9.2
135.04407	6.6
135.07996	8.6
137.09511	1.3
139.03867	6.6
141.06956	5.7
142.07722	1.5
143.08549	7.7
144.09311	1.7
145.06419	9.3
145.10094	21.3
147.08005	4.6
147.11653	2.2
155.08562	2.1
156.09315	7.6
157.06419	1.3
157.10069	6.4
158.07210	11.9
159.04387	5.0
159.08011	19.1
159.11641	11.6
161.02248	4.7
161.05911	1.4
161.09549	4.3
163.03871	17.9
168.09351	1.3
169.10092	2.2
171.11655	4.5
172.08777	10.5
173.02275	8.9
173.09560	2.2
173.13237	5.1
183.11652	6.2
186.10291	2.1
187.11134	9.8
189.05449	1.6
189.09048	4.4
193.10100	1.9
196.08806	5.9
199.11115	17.8
201.12698	7.5
211.11157	11.3
215.06937	11.5
217.12097	9.0
225.07924	5.0
229.12228	7.1
247.13225	100.0
259.09583	24.0
265.14221	5.6
277.10651	1.4
285.10141	2.2
313.13745	1.5
315.96988	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	444.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62081	0.8
53.03949	1.7
54.42527	0.9
54.81890	0.8
55.01865	1.1
55.05502	1.3
57.26110	0.8
60.77632	1.0
61.46317	0.8
67.05507	2.6
68.49780	1.1
69.03416	11.8
72.52946	0.9
79.05470	4.2
81.03397	0.9
81.07044	1.5
83.04961	12.7
85.02897	7.4
87.60971	1.0
91.05461	7.0
93.03407	1.2
93.07030	9.1
95.04935	2.1
97.02885	5.6
97.06528	1.2
105.07002	6.4
107.08562	13.3
107.09200	1.1
109.02882	12.6
109.06509	7.1
111.04440	4.8
117.07014	5.2
119.08587	8.8
121.02766	1.2
121.06478	25.7
121.10152	2.5
123.04312	1.2
129.06972	1.5
131.08539	9.6
133.10107	8.3
135.08022	33.7
137.05981	4.5
143.08522	1.8
144.09328	2.3
145.06454	4.9
145.10133	6.0
147.08047	1.2
149.06071	1.5
149.09607	11.4
150.10405	1.3
157.10049	1.3
157.28748	1.3
158.10867	5.4
159.08061	6.5
159.11661	16.3
161.09615	1.6
163.03877	1.1
163.07506	17.7
163.11185	1.5
169.10094	1.3
170.10919	2.0
171.07990	1.3
172.08737	8.9
173.09587	17.1
173.13223	29.3
177.12779	1.3
183.11684	6.0
186.10327	10.4
187.11148	49.0
189.09227	1.6
191.06963	9.5
196.08870	2.1
201.12708	37.7
203.14345	1.9
205.12187	10.9
211.11195	5.9
211.54126	0.9
219.13873	7.6
229.12198	35.0
247.13245	100.0
248.13528	1.3
265.14316	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	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92222	0.1
52.94533	0.1
54.63463	0.1
55.05489	1.1
55.22622	0.1
56.96556	0.3
61.02920	0.2
67.05489	4.9
69.07053	1.4
71.04966	0.3
71.19945	0.2
79.05460	1.1
81.07040	3.3
83.04951	0.9
83.08611	0.7
91.05466	1.6
93.07024	1.7
95.04932	0.7
95.08582	2.8
97.06494	1.0
98.06760	0.2
99.04448	0.2
103.05487	0.2
105.06994	1.6
105.79262	0.2
107.04935	0.4
107.08572	1.6
109.06485	0.4
109.10143	6.1
119.08556	4.2
121.06463	0.3
121.10089	0.8
122.07246	2.0
123.08055	0.3
123.11698	0.3
129.07042	0.3
131.08539	0.3
133.10081	0.9
135.08002	0.8
135.11678	0.2
137.09590	16.9
143.08513	0.3
145.10101	0.4
147.11620	0.3
149.09596	0.4
163.07487	0.8
165.09076	100.0
166.09473	0.4
182.90176	0.2
205.12224	1.2
224.40572	0.2
243.13548	0.2
259.09604	0.2
273.25699	0.3
291.26770	0.4
359.08133	0.2
443.27777	0.4
443.34888	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3515
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	5.3
55.05507	52.0
57.07072	39.0
60.36157	3.0
60.86936	3.0
61.66758	3.8
61.76111	3.1
67.05499	38.9
69.06713	5.3
69.07056	100.0
71.04992	2.6
71.08604	15.6
73.26196	3.5
73.75050	3.3
78.05531	3.2
79.05470	22.4
81.07036	89.3
83.08598	46.0
87.04433	6.9
91.05436	12.7
93.06998	27.0
95.08586	72.1
97.10147	17.1
105.07001	21.4
105.96375	3.3
107.08573	26.0
107.66612	3.3
109.06505	7.5
109.10132	31.6
111.08064	3.4
111.11720	4.3
119.08546	6.9
121.10105	16.2
123.08064	5.8
123.11684	16.5
133.10115	5.5
135.11659	5.8
138.14940	3.4
139.07516	54.8
145.10088	3.6
147.11630	5.5
149.13176	3.5
151.07472	6.8
154.31252	3.3
161.13179	6.9
165.05452	7.3
165.09100	30.1
173.07489	3.3
179.63057	3.7
194.82390	3.5
203.43727	3.7
219.18355	3.1
415.35800	4.7
425.33591	4.9
443.33423	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.5
55.01830	0.4
55.05503	7.9
57.03406	0.5
57.06864	0.3
57.07063	4.7
62.81062	0.3
65.03921	0.4
65.76264	0.4
67.05139	0.5
67.05491	14.2
69.07050	10.4
71.04951	0.4
71.08614	1.8
79.05460	4.5
81.07037	31.3
82.94402	0.3
83.04951	1.5
83.08592	4.6
83.72797	0.3
85.10143	0.5
86.09687	0.4
91.05438	2.5
92.08755	0.4
93.07019	5.3
94.97976	0.3
95.04969	0.5
95.08582	19.6
97.06471	0.5
97.10152	2.4
105.07006	4.1
107.08577	7.5
107.09735	0.3
109.06489	0.7
109.10136	15.2
111.04419	0.5
111.08089	0.4
111.11695	0.6
117.06998	0.7
119.08550	7.2
121.06431	0.7
121.10113	4.2
122.07238	2.2
123.08049	1.3
123.11656	4.7
129.06937	0.5
131.08517	2.5
133.10101	2.8
135.08023	4.5
135.11646	3.5
137.05925	0.5
137.09584	15.3
137.13190	1.5
139.07475	1.5
140.93147	0.4
142.07716	0.4
143.08543	0.5
144.09221	0.4
145.10086	2.3
147.11630	0.7
149.09595	16.4
149.13202	1.8
151.07549	2.0
151.14767	0.6
157.10117	0.8
159.08012	0.6
159.11655	2.3
160.08777	1.4
161.09578	1.6
162.06743	1.7
163.07513	0.5
163.11147	11.5
165.09071	100.0
171.11620	0.6
173.09624	1.5
173.13181	1.4
174.10356	0.8
175.07565	0.5
175.11156	3.5
176.08270	2.0
177.09052	8.3
177.12648	0.8
177.16377	0.7
179.10568	0.7
186.10249	0.4
187.11092	1.7
189.09052	1.6
189.12703	2.7
190.09933	0.7
191.10646	7.1
199.11211	0.5
201.12732	2.0
203.10663	2.9
203.14377	0.8
205.12209	8.0
215.14270	0.6
219.13806	0.7
229.15950	0.4
291.65335	0.4
311.80447	0.3
392.57159	0.3
415.31516	0.7
415.36304	0.5
425.34042	3.6
443.29663	0.6
443.35153	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	443.3516
Annotation	Unknow
Peak:m/z	Relative Intensity
54.41358	0.1
54.81451	0.1
55.05506	1.5
55.15306	0.1
57.07067	0.2
57.32695	0.1
59.04981	0.3
65.61625	0.1
67.05496	4.2
69.03413	0.2
69.07053	1.2
70.23069	0.1
71.04974	0.2
77.78854	0.1
79.05468	1.4
80.07948	0.1
81.07041	4.8
82.87520	0.1
83.04956	0.9
83.08598	0.3
85.06485	0.1
85.20812	0.1
91.05454	1.2
93.07014	1.8
95.04939	1.0
95.08582	3.7
97.06506	0.6
97.10137	0.2
105.07026	1.4
106.91959	0.2
106.93034	0.2
107.04971	0.2
107.08569	1.6
109.06485	0.7
109.10143	7.0
118.35826	0.2
119.08563	4.0
121.06427	0.3
121.10109	0.7
122.07268	1.5
123.08025	0.2
123.11665	0.9
133.10117	0.6
135.08051	0.2
135.11678	0.2
137.09595	16.0
145.10089	0.3
147.07988	0.2
147.11684	0.3
149.09569	1.1
149.13283	0.3
151.07509	0.3
151.14821	0.2
163.14806	0.2
165.09079	100.0
166.09435	0.6
177.09128	0.2
179.10658	0.4
189.12741	0.2
190.09879	0.3
203.10660	0.2
205.12216	2.3
291.26859	0.3
417.76764	0.2
443.34756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1592
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03461	2.4
55.04250	3.3
55.05497	0.4
55.62050	0.3
56.96558	0.5
57.03419	0.5
60.60191	0.3
61.02888	0.4
69.03407	2.5
69.76409	0.4
70.06570	1.4
71.04959	0.8
71.16598	0.4
71.81557	0.3
80.05016	0.5
81.03481	0.4
81.04520	19.1
81.07042	0.8
82.05303	8.8
83.04962	0.4
85.02876	4.3
91.05468	0.4
93.06989	1.8
97.02886	0.9
99.08099	0.4
100.73273	0.3
101.06036	0.4
103.05451	0.7
107.04922	0.4
108.05586	0.5
109.02867	0.4
112.14208	0.4
114.03728	0.5
117.09146	0.5
121.05589	0.9
121.06477	31.6
122.07127	86.2
123.07908	100.0
126.09174	0.7
126.83144	0.4
127.03870	0.6
131.55403	0.4
136.07574	0.5
138.09097	8.2
139.09468	2.4
141.39848	0.4
144.04803	0.7
144.10190	2.4
160.04253	2.3
165.07692	3.3
172.04213	0.6
231.62309	0.5
236.02103	0.4
237.02831	0.5
240.07062	0.4
259.44733	0.4
281.10602	37.4
323.11868	0.6
351.09164	0.5
401.12640	0.5
418.75787	0.5
443.15808	49.8
448.38235	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.0967
Annotation	(-)-Catechin gallate
Peak:m/z	Relative Intensity
51.02359	0.4
57.54938	0.3
67.05480	1.2
68.99767	0.4
76.29137	0.3
77.03893	0.5
79.01823	1.5
85.02885	0.6
91.05455	0.4
95.04942	1.8
105.03365	1.6
107.04935	0.3
111.04436	0.7
119.04920	0.6
123.04399	100.0
124.04757	0.5
125.02300	0.6
139.03876	23.0
143.03387	1.9
147.04402	4.0
151.03871	7.2
153.01793	12.6
153.02899	0.6
161.05977	0.6
163.03874	0.4
165.05444	1.7
177.06166	0.3
189.05400	0.6
200.53987	0.3
203.10614	0.4
207.06465	0.3
217.26260	0.3
273.07593	1.4
291.08478	1.6
312.83841	0.3
391.98566	0.4
443.22665	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	443.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
50.03153	0.6
57.03398	0.8
61.02926	0.9
62.90358	0.7
66.00810	0.7
69.03396	3.7
70.06561	3.2
71.04967	1.8
72.08128	0.8
73.02853	0.9
75.83453	0.6
78.77403	0.8
81.07024	1.4
83.01086	1.1
84.37292	0.7
85.02879	7.2
89.73073	0.7
95.01063	3.5
96.01836	1.5
99.04445	0.9
112.01295	1.4
113.02096	5.6
121.06579	0.7
123.04419	0.7
139.03874	1.3
147.09137	20.9
167.03123	0.9
185.04114	6.0
201.03656	1.2
206.05435	19.6
207.06430	0.8
215.30899	0.7
221.04953	3.0
249.07251	1.1
259.07846	3.6
281.14856	14.2
346.93085	0.7
413.13913	1.3
443.15073	100.0
443.20255	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	443.0197
Annotation	Unknow
Peak:m/z	Relative Intensity
54.99649	2.1
56.96554	42.9
57.03427	4.4
60.04502	6.6
61.02924	5.8
69.03409	14.1
69.63728	2.8
71.04945	2.6
71.95261	3.2
73.02891	3.9
81.03397	3.8
82.46460	2.5
84.96001	3.5
85.02882	17.9
95.89606	2.7
97.02885	29.1
98.97562	98.0
98.98225	5.0
98.98493	3.6
102.28794	3.0
105.51431	2.4
105.62935	2.6
110.97543	3.5
113.03556	3.5
116.98595	100.0
116.99436	3.3
119.01920	5.1
126.23715	2.6
128.98578	5.6
134.99637	84.9
146.99683	4.9
153.00719	13.4
159.03078	3.3
161.01225	4.2
232.96921	2.7
234.99680	4.5
238.96454	2.9
240.98871	3.0
256.97473	16.2
258.99600	31.1
261.03098	4.2
262.02963	3.3
263.02921	3.5
274.97583	4.0
277.00739	70.0
278.01151	3.1
280.97467	16.9
292.98380	6.4
293.98840	4.8
296.90936	4.1
299.09799	3.3
301.01047	5.2
310.98303	3.1
312.93362	6.5
318.89304	3.2
320.94547	2.8
322.98456	3.1
330.94342	6.0
336.92053	4.1
351.94373	4.0
353.92331	4.6
354.94223	22.3
365.87582	3.5
372.95255	12.5
377.92154	10.4
383.00797	6.4
395.93231	14.3
396.94919	12.4
401.01416	14.2
419.01312	3.5
419.92700	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	442.2645
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	0.7
53.40728	0.5
54.68798	0.6
55.05502	1.6
57.03432	13.0
59.04996	0.8
61.02909	1.5
69.03432	2.2
69.07050	0.8
70.06589	0.7
71.01335	0.9
71.04977	71.3
73.02902	4.1
75.04459	3.4
79.05467	0.9
81.03414	2.7
81.07028	1.3
83.04969	10.2
85.02893	100.0
86.71440	0.6
87.04471	1.0
91.05459	0.9
93.07054	0.8
97.02869	5.3
97.06557	1.0
99.04427	1.3
109.02869	1.4
111.04424	6.7
111.69962	0.6
121.10126	1.0
123.04407	3.3
127.03924	5.2
129.05460	24.9
139.03900	1.1
144.74753	0.9
145.04919	4.9
147.06477	10.1
153.01848	1.2
163.03885	1.2
163.05981	1.5
164.09238	3.3
273.09680	1.4
309.11661	1.0
442.24799	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.6
53.03941	0.8
55.01865	0.7
55.05499	4.2
57.03428	14.9
59.04975	1.0
61.02898	2.9
69.03414	4.3
71.01331	0.6
71.04974	82.4
73.02892	4.0
74.02238	0.6
75.04454	5.6
79.05482	0.7
81.03380	1.2
81.07037	1.5
83.04960	9.0
85.02888	100.0
87.04456	2.8
91.05447	0.9
91.44132	0.5
92.09321	1.1
95.04945	0.7
95.08591	0.9
97.02858	6.4
97.06484	0.9
98.99786	0.6
99.04421	3.1
103.03883	0.8
105.07018	0.9
107.04936	1.1
107.08516	0.7
109.02853	1.1
110.06025	0.8
111.04420	3.8
123.04389	2.5
127.03857	4.8
127.73259	0.6
129.05443	24.1
133.10126	1.2
133.90115	0.7
134.10492	0.6
145.04906	5.7
147.04373	0.8
147.06483	10.0
163.05956	0.8
164.09169	3.2
203.05133	0.7
215.81189	0.7
233.22235	0.6
243.13832	0.9
244.14180	0.7
255.08575	2.3
259.09390	0.7
273.09558	0.9
309.11612	1.0
361.06409	0.6
442.24869	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	442.2643
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.1
53.03942	0.8
55.01855	2.6
55.05494	2.8
56.15097	0.6
57.03424	28.3
57.07050	1.2
59.04985	5.3
60.04495	2.8
61.02912	7.6
62.24176	0.6
62.61840	0.6
64.02818	0.7
67.05476	0.8
67.53983	0.7
69.03410	74.1
69.07066	0.8
70.57625	0.6
70.89354	0.6
71.08587	4.5
73.02895	8.4
74.09698	0.6
75.04448	4.6
75.71694	0.6
81.03389	4.2
81.07011	1.0
83.04939	1.6
83.08588	1.3
85.02884	100.0
85.06519	0.8
87.04443	47.8
88.11226	1.1
91.03938	3.5
92.08644	1.5
93.07050	0.9
95.04918	0.7
95.08568	1.3
97.02863	58.9
97.06535	1.0
99.04414	4.2
100.07572	1.1
100.11232	6.1
103.03908	1.3
109.02860	6.8
111.04398	4.3
114.37321	0.8
115.03899	47.1
119.08559	0.7
121.10011	0.6
123.04377	0.7
127.03870	16.3
128.07025	1.5
133.04933	43.4
139.03821	1.4
145.04932	23.6
150.07620	5.6
163.05984	6.7
170.15370	13.9
182.15404	6.8
190.11171	0.7
198.14886	5.7
209.16512	0.9
210.14816	6.4
228.16023	1.6
241.06921	1.1
245.18561	0.9
245.35855	0.7
259.08090	3.0
277.09079	1.4
293.19519	1.2
295.10147	1.1
424.31250	2.8
442.24628	4.3
442.32510	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	442.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.7
53.03942	2.1
55.01883	2.9
55.05503	9.9
57.03427	12.8
57.07065	0.8
61.02906	5.5
67.05489	1.4
69.03413	26.4
70.06562	4.3
71.04973	5.0
73.02896	5.3
73.06538	5.5
77.44175	0.7
79.05466	1.0
81.03395	11.5
81.07042	3.5
83.04964	20.2
85.02885	82.1
85.06061	1.7
85.06529	26.0
87.04469	3.3
87.71227	0.8
89.06043	1.4
91.03954	3.7
92.08677	1.1
95.04958	5.6
95.08615	0.8
97.02866	88.9
97.06528	1.7
99.04445	9.1
101.05992	100.0
105.07012	1.7
107.04942	1.6
107.07308	0.8
109.02866	5.9
111.04438	1.4
113.06016	1.7
116.07093	3.7
116.98541	1.1
123.04421	1.0
125.05936	3.2
127.03886	18.6
129.05460	1.8
133.06448	1.0
135.04323	0.9
138.62569	0.9
139.07512	1.4
145.04933	15.8
151.03880	1.4
163.06030	1.0
167.07034	1.5
197.08043	31.0
207.64621	1.0
209.08096	1.9
216.42876	0.9
219.07976	0.9
227.09132	8.8
235.14046	0.9
245.10129	39.1
253.13354	1.9
263.11206	31.3
270.53549	0.8
294.25558	0.9
299.13852	1.2
442.19470	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	442.2648
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
54.78621	0.6
54.81668	0.9
55.05489	3.7
57.03431	12.0
57.07074	0.6
59.04975	0.7
61.02905	1.3
61.04749	0.6
67.05482	1.0
69.03424	5.9
71.04977	81.9
73.02886	4.0
75.04470	5.2
79.05434	0.7
81.03414	0.7
81.07044	1.0
83.04971	12.6
85.02891	100.0
87.04466	1.4
95.08583	0.7
97.02871	5.2
97.06510	0.7
99.04427	1.1
99.91916	0.6
105.07013	1.0
109.02847	1.2
111.04432	5.2
114.36758	0.7
123.04406	4.5
127.03854	5.1
129.05455	24.5
139.03896	0.8
145.04910	4.4
147.06509	14.0
147.67569	0.6
153.01796	1.4
154.02138	0.9
154.94171	0.7
163.05971	1.2
164.09160	3.1
165.07678	0.7
242.67207	0.7
309.11874	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	442.2646
Annotation	Unknow
Peak:m/z	Relative Intensity
51.37781	0.5
53.00297	0.9
53.03926	0.9
53.22246	0.5
55.01870	0.8
55.05500	3.0
57.03430	27.3
57.07063	1.2
59.04993	4.4
60.04512	1.3
61.02918	5.8
67.05499	0.8
69.03416	75.5
69.07049	1.0
71.04962	2.3
71.08609	3.7
73.02906	8.7
75.04464	4.5
81.03408	6.3
81.07036	1.3
82.06550	1.0
83.04958	2.7
83.08597	2.6
85.02891	100.0
85.06525	0.9
87.04453	40.7
88.11251	3.6
91.03938	3.5
93.07035	0.8
95.04933	0.7
95.08573	0.7
97.02869	60.6
98.03233	0.5
99.04432	3.8
100.07584	1.3
100.11246	6.3
101.02397	0.9
103.03909	0.8
107.08543	0.8
109.02869	5.4
110.06029	0.9
111.04426	3.6
115.03913	45.8
123.04382	1.3
125.66343	0.6
126.09125	0.6
127.03888	16.8
128.07037	1.3
133.04942	38.7
139.03915	1.0
140.07018	0.6
143.08513	0.9
145.04939	21.8
150.07628	5.7
152.14256	0.7
153.01790	0.9
163.05981	8.7
165.09088	0.7
169.04999	0.7
170.15359	16.2
182.15356	8.5
197.16315	0.6
198.14845	7.5
209.16391	0.6
210.14848	9.2
241.07030	0.9
245.18665	0.6
259.08078	1.0
277.09262	0.7
293.19595	3.1
295.10092	2.8
337.21097	0.9
355.22238	1.1
424.31607	4.2
442.24963	3.9
442.32706	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	441.3725
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81336	20.0
55.05502	18.8
67.05496	24.1
69.07053	70.6
81.07058	88.4
82.38744	16.8
83.08614	25.5
93.07012	31.4
95.08595	100.0
104.45248	16.1
105.07080	16.9
107.08604	71.4
109.10149	89.6
111.11705	18.9
119.08575	22.1
121.10124	38.2
123.11634	21.9
133.10098	36.2
135.11638	27.4
137.13251	23.9
175.74150	17.7
194.04034	19.4
196.80112	19.5
201.54335	17.9
215.72505	19.2
221.17957	18.7
283.90823	18.1
286.20480	18.1
402.71683	19.4
408.81641	18.3
441.37338	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	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
53.95559	3.6
57.07101	5.4
69.07046	8.7
81.07050	10.7
83.08589	5.4
83.85563	4.6
93.07040	16.9
95.08584	22.9
101.82320	4.1
105.07023	5.9
107.08607	10.4
109.10135	21.2
117.42734	5.5
119.08610	8.8
121.10152	8.6
123.11720	6.5
133.10233	5.4
135.08018	10.4
135.11714	6.0
145.10066	5.6
149.09610	22.7
163.11180	7.2
189.16504	5.0
287.23608	5.2
429.08435	4.5
441.37143	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3723
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86071	11.5
55.05504	18.9
57.07038	12.9
60.33907	10.8
65.50484	15.0
67.05489	20.5
69.07046	32.7
72.04492	81.4
81.07028	54.7
81.34191	12.7
92.08698	15.1
95.08578	100.0
105.07008	15.2
107.08578	72.0
109.10138	77.2
119.08545	26.2
121.10102	32.4
123.11707	14.6
133.10101	24.2
135.11714	23.7
161.13251	17.7
184.53366	13.5
227.03044	15.8
423.44046	21.4
440.44510	60.8
441.37491	91.9
441.44278	91.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3725
Annotation	3beta-Hydroxyonocera-8(26),14-dien-21-one
Peak:m/z	Relative Intensity
52.47395	3.0
55.05505	7.3
55.06462	3.2
59.46007	3.4
62.81927	3.5
67.05483	17.3
69.07050	18.8
72.64606	3.9
79.05453	12.3
81.07034	35.7
83.08620	3.7
86.90853	3.4
87.04552	3.8
91.05442	5.6
93.07013	14.6
95.08583	41.7
107.08561	8.8
109.10131	54.0
119.08595	5.8
121.10126	45.1
123.11642	6.7
135.08040	7.9
135.11603	5.2
137.13274	7.4
145.10118	3.6
147.11649	5.2
159.11711	5.4
163.14728	4.6
165.09114	30.5
175.14703	4.4
204.74515	4.1
205.19560	3.7
219.77887	4.2
348.30737	3.8
380.52435	3.8
412.51920	4.2
419.56265	4.9
441.37253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.3727
Annotation	Soyasapogenol C
Peak:m/z	Relative Intensity
50.31098	2.2
51.15022	2.1
54.90096	2.2
55.05496	3.9
55.71678	2.4
57.83556	2.4
59.76346	2.4
63.78267	2.9
64.33888	3.0
66.53431	2.8
67.05488	11.2
69.07056	5.7
79.05467	16.4
81.07044	25.3
83.08588	4.0
86.36160	2.5
87.65859	2.9
90.90476	2.5
91.05458	5.7
93.07015	41.6
95.08588	46.5
103.54400	2.6
104.29269	2.3
105.07043	6.0
107.08577	17.9
108.56922	2.7
109.10137	37.3
118.85407	2.5
119.08543	3.6
121.10126	68.6
123.11687	15.6
133.10114	3.6
135.11662	5.2
137.13243	3.3
145.10156	2.9
149.09596	100.0
149.13252	16.1
149.52338	2.7
151.11145	4.9
163.11140	3.2
163.14761	11.9
167.10680	3.5
177.12840	3.5
205.15863	5.8
205.19508	5.1
205.21263	2.9
219.21046	4.8
311.15762	3.0
423.36075	26.1
441.37140	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	441.1727
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22900	0.6
51.43517	0.6
55.05501	1.6
55.89101	0.7
57.03431	0.7
67.05468	1.3
68.85960	0.6
69.03435	1.2
69.07061	1.2
71.04975	3.3
72.30928	0.7
73.86001	0.7
75.81521	0.7
79.05456	1.5
81.07023	4.3
85.02877	4.9
91.05458	2.9
93.06993	2.8
95.08598	1.2
97.02850	1.3
97.06504	0.9
107.04926	0.8
107.08553	3.0
113.81213	0.8
115.03912	0.9
123.04375	2.9
127.03907	0.9
133.10153	0.8
134.87410	0.8
139.03835	1.0
153.01811	10.6
163.96869	0.7
179.03349	3.4
193.11984	4.3
201.03656	1.7
203.05254	4.2
245.06255	4.9
261.18277	1.5
263.19708	1.5
271.06061	2.9
289.05310	5.4
355.17191	16.3
361.02078	1.3
397.18222	36.8
441.17130	100.0
441.24347	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	441.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.3
51.75822	0.2
53.03930	0.2
55.01859	0.5
55.05486	0.4
55.22486	0.2
57.03420	1.1
58.89367	0.2
60.93818	0.2
61.02885	0.2
62.90240	0.2
67.05494	1.9
68.99768	2.2
69.03414	1.6
69.07050	1.0
70.06604	0.3
71.04968	1.9
73.02911	0.3
75.19337	0.2
77.03913	0.4
79.05493	0.3
81.03386	0.3
81.07024	0.5
85.02413	0.3
85.02880	4.2
86.03210	0.3
87.04433	0.4
89.03896	0.5
90.12707	0.2
91.05447	1.2
92.08620	0.2
93.07008	0.4
93.83830	0.2
95.04935	1.5
95.08552	0.4
97.02863	1.1
97.06506	1.1
99.04445	0.3
105.03397	1.8
105.07020	0.5
107.04945	1.4
109.06513	0.3
109.10117	0.3
109.60464	0.2
111.00793	4.0
111.04413	0.5
111.08067	0.3
115.03914	0.5
117.03381	1.0
119.08595	0.4
121.02853	0.4
121.06477	0.3
121.10113	0.9
123.04401	100.0
123.11638	0.2
124.04695	0.2
127.03908	1.3
129.05383	0.3
133.04922	0.6
133.10114	0.5
135.04391	10.3
139.03877	19.9
143.03369	0.4
145.04965	0.5
145.06479	0.6
145.10031	0.3
147.04381	11.1
151.03876	9.9
153.01833	3.7
153.02922	0.5
157.06415	0.3
161.05966	1.5
163.03860	3.3
163.06236	0.3
163.07468	2.2
169.04974	0.3
171.07935	0.4
173.02281	0.3
179.03375	1.4
181.06454	0.4
189.05457	1.4
194.10324	0.2
199.07506	0.9
199.13268	0.2
215.06982	0.5
227.07047	0.5
255.06493	1.5
259.09668	0.4
271.06012	0.3
273.07510	31.7
309.03702	0.6
376.58157	0.3
441.07724	1.5
441.16013	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.0999
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94054	0.4
53.03938	1.0
53.57175	0.5
54.81613	0.6
55.01858	3.5
56.96563	2.3
57.03428	5.5
59.56563	0.5
61.02916	5.7
69.03416	16.6
71.04990	0.7
72.08131	6.6
73.02892	4.5
73.08444	0.7
81.03403	6.0
84.04496	1.2
84.08131	3.8
85.02891	70.2
91.03940	2.6
97.02871	29.0
98.98447	100.0
99.04424	4.3
100.99110	0.7
101.02358	1.4
103.03896	0.7
104.66139	0.6
109.02874	10.3
116.98669	1.0
116.99469	3.9
118.08633	3.3
120.06567	1.0
127.03886	30.4
128.83690	0.6
130.08656	4.7
145.04929	19.0
146.07903	0.6
153.01762	5.0
163.03908	1.0
163.05980	6.5
165.00743	0.7
190.98586	1.2
191.02298	0.8
208.99663	2.1
225.01520	6.3
243.02502	0.7
261.03601	16.4
271.05890	0.8
306.99640	1.0
406.64804	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	441.1001
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
54.81463	0.7
55.69854	0.7
71.67847	0.7
74.38020	0.6
75.58219	0.6
76.55933	0.6
81.03391	1.0
85.02873	1.1
95.04906	1.3
98.97549	1.2
103.74030	0.8
112.26450	0.7
123.04382	1.3
133.31737	0.7
145.06575	0.8
147.04379	0.8
177.01610	4.4
192.03896	28.2
193.04665	8.5
211.47717	0.8
249.39012	0.8
255.01700	1.0
255.18927	0.7
279.01801	0.9
315.73270	0.8
355.09863	5.0
397.10956	22.6
441.09970	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.3578
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65409	1.5
50.90374	1.6
55.05503	4.1
55.57393	1.8
56.96802	1.6
57.07067	46.7
57.31336	1.5
57.95865	1.3
58.62505	1.6
69.07047	3.7
71.08614	34.7
73.06537	8.3
73.52872	1.6
74.78899	1.6
76.02250	1.7
83.08624	3.7
85.10175	24.5
87.04476	2.1
88.57146	1.7
89.06010	100.0
92.09306	2.4
99.11796	1.8
105.06982	2.0
107.07043	2.7
130.08659	1.8
133.08574	22.5
177.11174	10.8
202.27557	1.8
229.21605	10.4
265.62430	1.9
283.17422	9.0
341.95511	2.4
358.92456	2.1
423.33081	36.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2488
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.8
55.01859	4.6
55.05506	17.2
57.03423	8.3
57.07060	9.0
59.04993	2.3
61.02935	4.1
67.05489	23.5
69.03412	13.7
69.07053	14.5
70.06573	12.7
71.04979	16.9
73.02870	1.3
74.09694	2.1
79.05486	9.8
81.03385	5.8
81.07033	37.9
82.06562	1.6
83.04982	9.6
83.08601	2.7
84.93402	1.0
85.02887	34.3
85.06524	17.2
86.09741	1.4
87.04452	1.3
89.34483	1.3
91.05466	11.0
93.07018	20.6
95.01301	2.7
95.04945	13.5
95.08581	69.8
96.08943	1.4
97.02863	9.7
97.06504	11.8
97.10171	4.6
99.04431	42.3
99.08077	7.3
101.06012	1.6
103.05495	1.2
105.07013	25.2
107.04939	1.9
107.08580	32.9
109.02859	2.5
109.06496	21.5
109.10136	50.7
111.00837	1.1
111.04420	10.3
111.08063	10.2
113.05958	8.4
113.09629	1.3
115.03925	2.5
115.07582	1.5
117.07000	1.4
119.08558	43.7
121.06486	5.1
121.10116	65.5
123.04436	4.6
123.08043	45.3
123.11690	18.6
125.05980	4.9
125.09613	5.3
127.03855	9.0
127.07537	13.9
127.11195	2.8
128.07085	2.3
131.04913	2.5
131.08575	5.9
133.10098	11.2
135.04449	1.5
135.08031	4.9
135.11659	9.4
137.05962	2.2
137.09587	62.3
137.13170	8.8
139.03879	76.5
139.07530	1.4
139.11188	2.5
141.09106	5.0
143.10678	1.5
145.04927	2.1
145.10109	8.5
147.04463	1.2
147.08044	7.3
147.11658	45.8
149.08389	1.8
149.09578	37.2
149.10698	1.8
151.03943	4.4
151.07510	18.2
151.11145	15.3
151.14893	1.4
153.01823	4.8
155.10591	2.0
156.09271	2.2
159.11700	1.8
161.09598	2.2
161.13219	38.1
163.03903	8.9
163.07605	1.3
163.11134	21.6
165.12720	17.4
171.11702	7.3
173.05957	1.5
174.10379	2.8
177.05531	1.9
179.14256	18.1
181.04980	1.5
181.12178	2.7
189.09114	1.8
189.12691	29.5
195.95009	1.2
205.05057	1.3
207.13763	63.0
215.07205	1.3
225.11334	3.0
225.14801	100.0
243.15828	18.4
260.09195	1.4
261.16898	5.3
285.80090	1.3
289.07028	14.7
395.16177	1.3
440.18436	1.5
441.17130	8.9
450.82370	1.3
453.15305	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21138	1.3
52.32096	1.1
53.03945	1.8
55.01855	6.2
55.05503	28.8
56.33514	1.2
57.03415	7.1
57.07056	7.3
59.04991	6.1
61.02907	2.1
62.83123	1.3
67.05497	17.2
69.03421	12.3
69.07055	16.1
71.04973	18.0
79.05457	11.8
81.03400	2.9
81.07036	40.2
83.04964	34.9
83.08593	3.0
85.02885	25.7
85.06523	15.3
87.04437	2.1
91.05456	8.3
93.07012	19.5
93.83314	1.3
95.01295	9.8
95.04945	8.2
95.08582	43.9
97.01075	2.0
97.02848	10.6
97.06522	13.0
97.10162	3.0
99.04432	54.5
99.08067	10.5
101.05980	12.8
103.05415	1.3
104.06767	1.3
105.06998	21.2
107.08575	47.9
109.02874	1.8
109.06500	18.6
109.10153	24.8
111.04407	12.2
111.08045	17.5
113.06001	3.5
115.03864	3.4
115.07554	2.2
117.03296	1.4
117.07013	1.5
119.04975	1.6
119.08562	26.5
121.06532	2.2
121.10113	36.4
123.04427	1.7
123.08049	19.8
123.11698	8.9
125.06033	4.5
125.09626	14.4
125.46995	1.4
127.03844	2.4
127.07533	26.1
127.11136	2.8
129.05476	7.4
129.06909	1.7
130.11902	1.4
131.08569	2.5
133.10101	7.8
135.07994	3.3
135.11665	12.4
137.05930	2.7
137.09596	14.1
137.13208	7.3
139.02097	1.6
139.03883	11.1
139.07529	2.8
139.11140	28.9
141.09122	7.5
145.04919	1.9
145.10086	9.1
146.05919	1.7
147.04424	2.1
147.07994	1.5
147.11639	22.5
149.09605	15.6
149.13257	2.1
151.07516	6.6
151.11121	12.3
153.01785	2.1
153.12715	10.1
161.13237	18.4
163.03836	2.7
163.11182	16.3
165.12701	11.2
167.10664	1.4
167.94772	1.4
171.11653	2.7
173.05986	2.4
179.14313	10.6
181.12196	17.2
183.13628	1.6
189.12685	14.8
199.13248	54.7
207.13768	41.9
215.07054	2.4
225.14804	100.0
243.06474	3.5
243.15833	25.1
261.16806	6.5
270.07556	2.2
410.48441	1.6
440.12988	2.2
441.17612	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	440.2484
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57596	0.8
51.13995	1.0
55.01842	1.4
55.05286	1.0
55.05500	13.2
57.03432	8.5
57.07044	5.5
59.04979	4.8
61.02892	1.5
67.05207	0.7
67.05489	10.8
69.03406	11.6
69.07051	13.8
70.06569	1.8
71.04955	8.4
71.08636	0.9
72.47204	0.9
74.09680	1.8
76.04977	0.9
79.05456	7.0
81.03408	2.0
81.07035	57.7
83.04948	9.1
83.08597	1.9
85.02417	1.7
85.02888	27.6
85.06546	8.6
91.05456	13.0
93.07011	10.8
95.04944	11.4
95.08581	40.9
97.02847	8.3
97.06522	7.8
97.10134	3.9
99.04427	38.0
99.08082	13.4
101.02349	1.8
101.05931	1.6
103.04844	1.1
103.05437	9.2
105.07000	14.8
107.04928	4.3
107.08566	25.1
109.02838	1.3
109.06489	20.0
109.10133	16.3
111.04408	6.8
111.08048	6.5
113.05994	1.8
115.03898	1.6
115.07556	1.0
116.07072	1.2
119.04919	12.9
119.08555	19.7
120.27489	1.0
121.06457	12.8
121.10117	24.6
123.04387	6.8
123.08044	24.4
123.11667	20.3
125.05929	6.7
125.09612	7.4
127.03873	7.1
127.07494	8.3
127.11208	1.5
131.04903	25.3
131.08511	1.5
133.06485	1.8
133.10089	7.2
135.04355	1.1
135.07977	8.0
135.11656	6.7
137.05902	4.4
137.09575	6.5
137.13243	13.8
139.11137	2.5
139.72545	1.0
141.09039	7.3
143.08493	1.6
145.10074	3.8
147.04364	3.9
147.07988	4.0
147.11659	24.5
149.05952	14.1
149.09557	8.7
151.03857	1.7
151.07565	7.1
151.11136	11.8
153.01823	2.3
153.05443	1.8
156.09346	2.3
159.07951	1.3
161.05896	1.8
161.09616	1.4
161.13226	13.2
163.07487	8.1
163.11150	4.7
165.05400	1.8
165.12698	17.9
169.08502	1.0
171.11633	4.8
179.08484	1.2
179.10730	1.1
179.14240	6.5
183.13737	5.5
189.12720	15.2
193.04883	2.4
197.09624	1.1
207.13708	22.5
225.11372	3.1
225.14801	100.0
225.41878	1.1
243.10115	27.9
243.12155	3.6
243.15843	35.0
262.41830	1.4
426.13531	1.2
441.13306	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15806	1.4
51.53165	1.5
52.59602	1.5
53.03935	11.9
53.07595	1.4
55.01863	2.5
55.05499	9.3
56.96563	1.6
57.03426	7.2
57.07056	8.3
59.04987	3.9
61.02908	7.5
67.05489	22.1
69.03419	17.6
69.07053	16.7
70.06583	3.8
71.04964	2.8
73.41396	1.5
77.75164	1.5
79.05476	16.0
81.03397	53.2
81.07036	40.0
81.85974	2.0
83.04959	11.2
83.08594	10.2
85.02895	39.1
85.06533	30.6
85.91500	1.6
87.04447	3.9
91.05460	26.2
93.07012	31.8
94.79753	1.8
95.01360	1.7
95.04950	100.0
95.08582	42.5
97.02914	13.0
97.06504	16.9
98.97572	2.0
99.04431	4.1
103.05440	2.2
105.07011	66.1
107.04923	3.8
107.08575	32.8
109.02854	4.1
109.06513	10.8
109.10136	10.2
111.08079	8.8
113.05998	34.8
113.09607	1.7
115.03909	8.5
115.07540	1.9
117.07001	18.0
119.08553	47.2
120.08089	45.8
120.08944	1.8
121.06462	10.0
121.10120	63.8
123.08072	15.3
123.11642	3.2
125.05971	3.8
125.09567	2.4
127.03889	6.4
129.06958	3.9
131.04929	1.9
131.08551	59.2
133.06511	8.4
133.10127	24.3
135.08031	2.6
135.11684	9.3
137.09612	3.1
137.13252	2.1
139.11133	10.7
143.08540	3.5
145.02882	2.1
145.04971	1.8
145.10085	15.7
147.08038	4.2
147.10524	2.3
147.11670	61.1
149.09601	20.8
151.07513	10.4
151.11125	1.8
156.09312	13.6
159.11638	24.0
161.13222	19.9
163.11110	3.2
165.09045	2.0
165.12709	25.0
166.08621	8.8
167.10620	2.6
169.08588	15.1
170.77386	1.8
171.11670	16.6
174.09053	2.4
177.12596	12.6
179.14288	4.2
187.09462	2.4
189.12679	24.1
195.13806	6.8
207.13776	81.8
225.14824	60.7
235.12178	1.9
243.12195	2.4
243.15884	44.7
327.09808	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	440.2485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	11.4
54.81804	1.3
55.01861	2.5
55.05500	8.7
56.83229	1.2
57.03420	7.5
57.07069	12.5
59.04984	2.7
60.42632	1.1
61.02916	1.7
62.73506	1.2
67.05485	19.7
69.03403	11.0
69.07048	9.7
71.04986	2.1
73.02892	1.8
79.05463	13.6
81.03395	100.0
81.07035	39.3
83.04966	9.3
83.08610	8.2
84.04430	1.5
85.02885	31.9
85.06525	33.7
87.04446	2.3
91.03902	1.3
91.05451	13.2
93.07018	20.5
95.04942	45.7
95.05507	2.1
95.08578	35.3
97.02876	10.8
97.06503	6.8
99.04424	6.3
105.07011	47.6
107.08587	16.8
109.02848	1.7
109.06463	9.4
109.10126	9.5
111.08084	2.4
113.05988	28.1
115.03905	2.5
116.66408	1.2
117.06982	6.3
119.08554	34.5
121.06481	11.2
121.10119	27.1
123.04384	1.7
123.08035	17.9
123.11658	5.0
125.05919	2.2
125.09619	7.0
127.03924	2.9
129.06975	1.3
131.07053	2.3
131.08539	15.3
133.06450	1.9
133.10086	8.5
135.08022	23.4
135.11656	5.7
137.05948	2.2
137.09633	2.7
139.07481	2.4
139.11169	7.6
145.04929	5.9
145.10107	7.5
147.04378	2.1
147.08012	6.7
147.11678	15.1
149.08525	1.6
149.09615	11.3
150.05489	7.6
151.07526	9.3
156.09308	1.6
159.11670	5.1
161.09630	2.0
161.13268	17.6
163.11145	2.6
165.09055	21.1
165.12720	34.0
167.07140	1.7
169.08554	8.4
171.11662	3.0
177.12680	2.8
179.14244	2.0
181.12207	1.3
183.10167	4.6
187.99072	1.4
189.09128	2.0
189.12753	9.9
197.15297	1.5
207.10316	9.1
207.13763	80.4
225.11169	6.3
225.14784	23.1
243.12303	11.8
243.15894	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	440.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
51.73139	0.8
55.05509	1.9
57.03415	4.1
67.05477	1.7
69.03413	5.9
69.07033	1.8
71.04966	6.9
73.02909	1.7
77.11299	0.9
78.04691	1.3
79.05462	2.0
81.07034	5.8
83.04947	1.3
85.02895	16.4
91.05455	2.2
92.09257	1.5
93.07015	2.2
95.08588	2.6
97.02863	5.0
102.13577	1.1
103.05445	4.8
105.07005	7.2
107.04939	7.5
108.19450	1.1
109.06458	1.5
109.10123	1.1
121.06483	2.0
123.04389	8.1
124.05239	1.7
127.03931	1.6
129.68303	1.2
131.04901	6.0
131.08566	1.0
133.04968	1.4
133.06476	6.8
135.11678	1.0
137.05946	1.6
141.24135	1.0
145.06398	4.4
151.07414	1.3
152.04619	2.1
153.01823	6.2
161.05936	5.7
161.13409	1.2
162.67937	1.1
163.07545	8.8
167.07001	100.0
181.08510	1.6
187.07410	1.7
193.08559	11.2
219.10182	2.1
223.01099	1.1
237.11108	1.4
254.88046	1.1
271.05927	1.5
283.35638	1.1
289.26883	1.2
355.15283	6.0
387.17905	5.6
391.19598	1.4
405.18951	7.8
441.07724	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	440.1906
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03905	0.9
55.01865	2.0
55.05492	1.4
57.03414	1.3
61.11084	0.8
67.05478	4.0
69.03400	2.1
69.07033	1.6
70.06577	1.0
71.04964	1.8
79.05463	4.2
81.03389	3.8
81.07031	5.1
84.78159	0.8
85.02877	6.4
85.06485	0.9
86.09737	0.8
87.04459	1.1
91.05457	12.3
93.03380	1.1
93.07012	4.8
95.04936	15.2
95.08578	5.6
97.02868	1.0
97.06480	1.5
98.97588	1.0
99.04430	3.6
103.05443	31.9
105.07010	15.6
106.04082	1.1
107.04947	1.9
107.08556	1.7
109.02851	1.5
109.06472	4.9
109.10146	3.6
111.04425	4.5
111.08049	1.3
114.36804	0.9
115.05391	2.1
117.07020	1.0
118.04126	1.3
119.04923	12.3
119.08549	4.9
121.06461	3.9
121.10111	4.9
123.04408	12.9
123.08017	5.2
125.05932	5.0
127.03828	1.8
127.07584	1.2
131.04890	100.0
132.05275	1.0
133.06448	14.5
135.07999	1.4
137.05928	12.2
137.09625	4.1
139.07420	0.9
140.04689	2.2
146.07237	5.2
147.04367	9.3
147.08046	1.2
147.11673	3.6
148.05202	1.3
149.05954	4.0
149.09575	2.0
151.07530	7.3
151.11115	1.6
151.34563	1.0
153.05386	6.6
155.07030	5.0
159.08058	1.2
161.05927	29.2
161.09595	1.1
161.13177	1.8
163.06230	1.7
163.07503	34.1
167.07040	2.0
171.02008	1.2
175.07480	1.3
177.05383	2.1
179.07014	4.1
183.06526	7.3
187.07474	1.6
189.12724	2.1
191.06952	8.1
191.14464	1.0
193.08580	14.1
203.06973	1.3
205.08664	0.9
207.13747	4.6
223.09573	1.3
225.11081	1.1
225.14684	6.9
243.15771	1.4
248.49229	0.9
426.48410	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.3415
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61500	2.5
55.01858	2.4
55.05493	13.6
56.96554	2.6
57.07051	2.9
65.59063	2.3
67.05489	48.6
69.07047	23.5
71.04969	13.1
72.78783	2.5
79.05471	12.8
81.03394	3.1
81.07038	45.3
83.08607	11.4
91.05451	13.0
93.07024	20.4
95.04933	11.5
95.08585	31.1
96.76000	2.7
97.10160	3.4
99.04443	15.5
105.06996	13.0
107.08562	23.8
109.06549	3.1
109.10132	22.4
113.05984	5.7
119.08553	11.6
121.10114	11.6
123.04411	60.2
123.11675	6.1
125.06001	35.1
131.08569	5.1
133.10112	14.1
133.14099	2.7
135.11644	5.9
137.05922	4.6
139.07507	13.4
141.05443	100.0
145.10059	4.6
147.11665	6.5
149.09608	4.5
149.13176	3.6
151.11270	3.3
159.11719	5.1
265.30872	2.7
385.31009	3.8
403.31967	53.9
421.33072	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29072	0.9
51.68476	0.9
53.03931	1.5
55.05500	14.8
57.03419	3.8
57.07061	3.9
59.04989	1.4
61.02890	1.8
64.10529	0.9
65.03912	1.1
67.05490	23.8
68.19068	0.9
69.03406	13.3
69.07056	10.7
69.27771	0.8
69.96198	0.9
70.33796	0.8
71.04973	6.3
73.39181	0.8
76.00761	0.7
79.05473	19.6
81.03390	4.7
81.07034	37.3
83.04961	18.0
83.08600	9.6
85.02885	15.6
85.06526	7.5
91.05454	13.3
93.07014	37.2
95.04941	6.8
95.08575	21.2
97.02866	4.3
97.06506	4.7
97.10122	0.9
105.07000	30.2
105.07646	1.4
107.04930	9.6
107.08575	29.2
109.06474	6.7
109.10133	36.2
111.08073	5.5
113.09620	4.9
117.06994	3.9
118.90378	1.1
119.08555	44.7
121.06464	8.4
121.10115	37.8
121.74844	1.0
122.07267	5.3
123.08051	4.2
123.11689	10.8
125.09596	6.4
127.03913	1.3
131.08556	5.9
133.06465	1.8
133.10098	73.1
135.08037	4.4
135.11644	8.8
137.09587	40.9
139.11180	4.7
143.08568	3.8
145.04919	1.3
145.10075	9.9
147.08029	8.0
147.11661	12.7
149.09599	6.3
149.13228	4.7
151.11143	13.6
157.10153	1.3
159.11612	6.7
161.09575	12.3
161.13217	10.5
163.11148	2.2
164.43932	0.9
165.12718	1.1
171.11617	3.8
173.13246	1.5
175.11151	3.7
175.14783	30.8
179.14278	1.1
185.13245	4.0
189.12694	4.0
193.15829	1.7
199.14757	1.8
201.16400	4.8
203.14240	8.8
204.15012	1.5
207.06471	1.9
217.15921	4.1
217.19505	2.4
241.19414	4.6
259.20502	27.3
267.08701	1.0
274.36603	1.0
277.21558	100.0
324.61609	1.3
439.26846	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	439.2684
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.0
54.81940	0.8
55.01858	1.9
55.05502	19.1
56.96566	1.3
57.03428	11.6
57.07059	1.3
59.04986	4.9
61.02922	0.9
65.03907	1.3
67.05491	100.0
68.05804	0.8
69.03416	1.7
69.07046	7.2
71.04971	6.1
71.87998	0.8
73.02935	0.8
79.05477	17.3
81.03401	24.2
81.07032	30.1
81.07471	1.7
83.04971	5.5
83.08604	12.6
85.02888	20.1
85.06543	3.9
85.51184	0.8
91.05465	25.3
92.08676	1.1
93.07021	15.5
93.34277	0.8
95.04948	14.2
95.08568	8.9
97.02871	2.1
97.06542	1.5
97.10135	1.5
99.08057	1.1
102.19724	0.8
105.07009	16.1
105.38679	0.8
107.04941	3.5
107.08571	8.2
109.06567	0.9
109.10142	52.5
111.08070	5.6
117.07002	1.0
119.08555	13.5
121.02844	6.0
121.10121	8.1
129.07001	5.6
131.08566	5.9
133.06487	1.8
133.10126	5.1
137.05977	1.4
137.09607	1.3
142.07761	1.2
147.08061	0.9
147.11694	6.3
149.09630	1.2
151.11198	1.1
153.01817	4.3
155.10651	1.4
157.10138	4.7
169.04939	1.5
173.11711	7.3
175.11220	4.8
193.12184	16.1
200.04709	1.9
211.13269	15.5
217.07814	0.9
228.04074	9.4
229.14314	5.6
229.27818	0.9
244.03516	2.1
255.08904	0.9
256.03665	1.6
259.05807	6.5
267.15842	5.6
271.05960	27.3
272.06323	1.8
285.10062	2.1
421.25616	8.9
439.10382	4.2
439.26837	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	439.2301
Annotation	Thr Arg Tyr
Peak:m/z	Relative Intensity
57.07055	0.4
61.02910	0.6
61.46510	0.3
62.62176	0.3
64.61169	0.3
69.07045	0.4
70.08119	0.4
72.01233	0.4
75.74761	0.3
79.05463	0.5
81.07034	0.8
85.02874	2.0
91.05418	0.5
93.06992	0.6
95.01073	0.5
95.08568	0.8
101.97511	0.4
103.54785	0.4
105.07088	0.5
106.89356	0.4
107.08570	0.4
109.10139	0.7
113.02129	0.4
119.08564	0.4
123.04353	0.7
129.70219	0.4
133.10081	0.5
137.05957	0.6
141.05138	0.6
158.05536	0.5
161.13232	0.9
169.04701	0.8
203.05197	4.2
259.09583	0.4
259.16617	4.1
259.19034	0.4
277.17691	1.8
369.18741	6.6
408.97397	0.4
439.22949	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.23
Annotation	Tyr Arg Thr
Peak:m/z	Relative Intensity
50.97602	0.4
55.05478	0.5
55.72510	0.4
57.07057	2.4
67.05489	0.6
69.03421	0.6
80.34181	0.4
81.07024	2.0
85.02885	1.2
85.06524	0.5
91.05411	0.6
92.09246	0.6
93.07021	1.1
95.08578	0.6
97.02590	0.6
97.10105	0.6
99.08116	0.5
107.04922	2.6
107.08550	0.5
116.37409	0.5
121.10101	0.6
133.10164	0.5
135.91101	0.5
147.04367	1.1
155.14273	1.0
156.14635	0.6
169.04715	1.1
201.03725	0.6
203.05234	1.1
247.88928	0.5
259.16641	2.3
277.14581	0.8
277.17700	4.4
369.18771	9.3
374.98022	0.7
392.98907	0.6
397.99521	0.7
439.22946	100.0
440.23148	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	438.2123
Annotation	Unknow
Peak:m/z	Relative Intensity
54.30180	0.2
54.81784	0.2
64.06271	0.2
66.64066	0.2
73.20211	0.2
79.05488	1.5
85.02888	0.4
95.04946	0.4
97.02863	0.2
103.05450	1.4
105.07011	100.0
106.07339	1.2
112.11233	0.4
122.09641	30.8
123.10000	0.2
130.12231	1.9
131.12584	0.4
153.01831	1.6
163.03828	0.3
223.13165	0.2
275.19577	0.3
297.06284	0.3
300.12598	0.3
315.07339	0.2
385.03415	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	439.102
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79571	0.4
55.05497	2.1
56.96543	0.9
57.03407	0.6
61.02906	0.9
67.05492	3.9
68.99749	0.6
69.03423	0.7
69.07040	1.1
71.04971	0.6
74.03217	0.4
79.05463	2.3
79.94652	0.5
81.03409	1.1
81.07051	3.8
82.09830	0.5
83.04930	0.4
83.08585	0.6
85.02878	2.1
85.56637	0.4
91.03939	0.6
91.05450	2.4
93.07032	2.3
95.04927	2.2
95.08590	2.3
97.02862	0.6
97.06560	0.6
105.07013	3.2
107.04930	2.7
107.08595	1.8
109.06481	0.5
109.10135	3.1
119.08557	1.0
121.10142	1.0
123.04401	3.2
124.04720	0.7
126.24667	0.5
128.06155	0.6
129.07057	0.7
131.08531	0.7
133.10081	2.1
135.08026	0.6
137.05959	0.9
141.06947	0.6
149.09720	0.6
151.07506	0.7
153.01816	5.6
165.05402	0.8
166.05743	0.8
169.06465	2.7
172.05257	0.6
173.05974	0.8
173.42450	0.5
184.05247	0.6
187.03824	0.9
197.05898	3.2
200.04608	5.3
205.04956	0.5
209.13266	0.5
209.49588	0.5
211.03978	0.6
211.13242	0.6
215.06958	2.1
216.04156	2.2
222.19891	0.5
225.05394	3.5
228.04114	35.5
229.04765	0.5
243.06433	2.6
244.03584	11.5
255.06525	0.7
255.08908	1.6
256.03647	5.4
257.04370	0.7
259.05945	20.8
259.08673	0.7
260.09113	0.5
267.08932	0.8
271.05945	100.0
272.06406	0.7
277.17630	2.0
285.10010	3.2
287.08859	1.7
288.09467	1.0
289.09793	0.7
397.08969	2.3
439.10071	14.7
439.22467	4.8
459.08676	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	438.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28960	0.2
54.90928	0.2
57.03423	1.6
61.02901	0.3
69.03403	0.9
69.40978	0.2
74.09705	0.2
75.04445	0.4
78.04677	0.9
79.05468	0.3
81.03395	1.0
85.02879	3.2
86.09674	1.8
91.05444	0.2
95.04933	1.5
97.02841	0.4
97.06520	0.3
98.06034	0.2
105.03315	0.2
106.04149	1.4
107.04919	0.3
109.02842	0.9
109.06513	0.2
110.03629	0.3
121.25518	0.2
123.04402	5.1
124.05166	1.6
127.03887	0.4
127.07510	2.0
133.06331	0.2
134.03586	2.1
137.05945	0.7
138.03102	1.8
140.04659	6.6
141.02133	0.2
141.05438	2.5
151.03885	1.0
151.07562	0.2
152.04655	3.7
153.05446	0.7
154.06265	0.2
155.03386	0.4
155.06978	8.0
167.06990	100.0
168.07346	0.4
169.04932	0.3
170.05698	34.4
181.08589	0.8
183.06444	2.0
185.08051	1.0
219.08688	0.4
223.09618	0.3
241.10619	5.9
259.11676	12.8
403.15875	0.4
406.85309	0.2
457.37744	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.9724
Annotation	Unknow
Peak:m/z	Relative Intensity
55.59769	1.6
55.93518	63.4
56.94279	2.5
56.96545	3.3
58.87204	1.9
59.05780	1.6
59.60844	1.8
68.74353	2.1
69.95061	4.7
70.95848	1.7
71.01323	3.9
71.92984	46.6
72.93381	4.0
72.93771	100.0
73.94537	9.9
77.78331	1.7
81.03389	2.0
83.04961	3.5
84.04440	2.0
84.08118	29.2
85.02881	12.3
87.96110	3.6
89.94017	54.0
90.94809	80.3
91.95603	2.1
97.02868	2.1
98.97570	2.9
98.98389	2.0
102.94795	2.5
103.69473	2.2
105.93507	21.9
105.97147	3.5
107.95061	33.5
108.95852	22.4
110.69762	2.3
111.96044	2.5
117.93532	2.0
120.95833	3.1
123.94500	15.2
124.95312	3.7
125.96101	40.7
129.97110	11.8
130.08615	29.8
130.97893	3.3
131.94994	12.7
132.95833	19.9
133.96550	3.7
134.97392	2.5
135.94521	2.7
143.98637	13.3
145.96588	49.0
147.98151	5.2
148.98950	3.7
149.96094	83.6
150.96863	40.3
151.97649	10.3
152.17207	2.3
155.95062	2.7
158.99611	2.6
160.95291	2.7
161.01189	2.8
161.96068	42.3
161.99727	14.9
163.97641	39.4
165.99207	49.8
167.97137	40.3
173.05110	2.2
173.96033	20.6
176.98354	2.5
179.97137	18.5
187.93980	7.7
189.00731	2.3
189.95567	10.4
190.03107	2.4
191.97133	59.7
205.95067	30.3
209.98180	12.8
213.99165	3.7
216.56122	2.5
219.01741	2.1
219.96581	42.6
223.96066	4.0
237.93990	8.2
259.99747	3.3
263.95782	2.3
285.97678	4.4
303.98645	11.7
329.96744	15.9
347.97693	18.8
393.98233	28.5
422.29428	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	437.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	2.9
54.57083	1.6
55.05500	17.3
57.03429	2.8
57.07065	8.2
57.44072	2.0
67.05490	26.7
69.07057	24.3
71.08607	7.3
71.28919	1.8
72.45225	1.6
79.05466	8.6
81.07040	29.9
83.04961	8.8
83.08605	15.6
84.84290	1.7
91.05453	10.0
91.74033	1.7
93.07028	60.7
95.04940	3.4
95.08578	57.5
97.10153	10.7
105.07027	4.0
107.08594	15.2
109.06509	2.3
109.10169	13.6
111.08067	29.6
119.08568	3.2
121.06470	2.2
121.10106	4.2
123.08028	2.1
123.11704	3.0
127.07568	2.5
133.10205	2.6
135.08057	2.5
137.05983	21.5
137.13283	2.6
139.07535	23.2
145.10130	3.7
147.11630	2.4
147.98969	1.9
151.07526	2.3
151.11121	2.4
153.09099	9.2
167.10654	10.0
181.12210	4.0
193.12218	2.1
195.13806	4.5
207.13811	1.9
286.28244	2.0
401.34140	22.5
414.17380	3.7
419.35138	100.0
424.31427	2.6
437.30035	3.7
437.35843	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	437.362
Annotation	5beta-Cholestane-3alpha,7alpha,12alpha,24-tetrol
Peak:m/z	Relative Intensity
53.03925	1.7
54.58910	0.8
54.81367	1.1
55.01855	5.0
55.05500	12.0
57.03417	2.2
57.07052	7.1
58.43953	0.9
58.65370	1.0
67.05492	31.9
69.07059	18.4
71.04952	2.2
71.08596	2.6
79.05465	8.6
80.21207	1.1
81.07038	38.3
83.04951	1.7
83.08587	11.4
85.06601	1.3
85.10205	1.2
91.05466	8.9
93.07023	76.1
95.04930	5.4
95.08583	60.6
97.06490	1.4
97.10130	2.6
98.98420	1.2
105.07003	2.3
107.08569	12.2
109.06515	1.4
109.10141	17.1
111.08066	39.6
111.11743	1.7
116.01079	1.2
119.08564	2.1
121.06498	2.3
121.10108	5.2
123.08011	1.5
123.11677	8.5
125.09596	1.4
127.07505	6.4
131.08531	1.5
133.10101	1.4
135.07979	1.6
135.11678	2.3
137.06047	1.7
137.13226	2.6
139.07520	31.0
145.10086	1.1
151.11060	1.6
153.09106	19.1
155.00975	1.2
157.08582	5.9
167.10634	11.4
181.12173	8.7
189.12788	1.1
195.13779	7.7
207.13762	2.3
209.15366	1.5
223.16873	1.6
294.46024	1.5
401.34122	19.4
413.63492	1.4
419.35092	100.0
437.29877	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.3469
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	5.3
55.05505	20.0
57.03429	13.7
57.07063	4.4
59.04985	1.8
61.44443	0.9
67.05489	29.3
69.03408	4.9
69.07053	27.0
71.04975	30.0
72.05303	5.8
79.05468	21.3
81.07034	100.0
82.07344	1.3
83.04937	2.1
83.08601	17.3
85.02896	16.3
85.06518	12.8
86.03223	2.7
87.03283	2.4
91.05456	9.5
93.07023	49.6
95.04944	2.7
95.08578	61.8
97.02892	2.4
97.06501	7.4
97.10142	4.6
99.04371	1.3
99.08086	1.8
105.07018	20.2
107.04939	2.4
107.08573	49.7
108.08913	1.8
109.02830	1.4
109.06500	4.5
109.10136	48.7
111.08049	14.0
113.09601	2.3
117.06985	1.6
119.08551	27.3
121.10120	32.1
123.04424	1.2
123.11674	30.5
125.09642	4.5
129.09071	14.5
131.08569	4.7
133.10098	18.8
134.28465	1.3
135.11665	35.8
136.12030	2.2
137.09610	1.4
137.13223	4.5
139.11174	1.6
145.10085	4.5
147.04469	1.3
147.11688	12.7
149.13229	8.9
151.11176	1.2
153.12769	2.1
154.13043	1.7
159.11626	6.8
161.13179	7.1
163.14813	10.2
165.12723	1.5
173.13248	5.0
175.14786	2.5
176.90085	1.1
177.16338	9.3
187.14787	2.7
189.16292	8.4
198.76357	1.4
201.16281	2.3
203.17944	4.6
204.18228	1.5
221.18918	2.2
222.19022	1.3
239.16396	1.5
239.19987	1.9
287.05515	2.8
288.05826	6.4
289.05975	23.3
290.06238	19.6
291.06500	24.2
329.28378	15.2
347.29367	14.2
365.30402	17.7
437.20956	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	437.2742
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	1.6
53.03932	0.9
55.01872	2.1
55.05503	6.3
57.03429	3.6
57.07058	2.1
60.04534	0.8
61.02905	2.1
67.05488	8.4
69.03410	8.2
69.07058	13.6
70.06570	5.2
71.04977	29.2
72.08135	4.2
73.06544	1.3
73.30357	0.9
75.79874	0.8
79.05470	14.2
81.03406	3.4
81.07037	94.6
83.04972	2.1
83.08615	2.1
85.02889	19.6
85.06525	4.9
85.60219	0.8
86.09666	1.4
87.00816	4.0
91.05445	9.4
92.08630	2.0
93.07023	35.7
95.04944	4.0
95.08582	24.3
96.05289	1.0
97.02870	4.7
97.06523	8.0
97.10118	1.3
99.04480	1.3
99.08060	4.4
105.01871	1.6
105.07014	55.3
107.04922	6.1
107.08581	44.6
109.02869	1.3
109.06514	1.6
109.10143	40.6
111.08077	1.4
113.05975	1.2
113.09629	2.0
116.98608	1.0
117.06993	1.7
119.08556	100.0
120.08091	4.6
120.08863	1.1
121.06483	1.3
121.10107	9.9
123.04418	1.9
123.08076	1.3
123.11687	12.4
127.03921	4.0
127.11158	26.9
131.08522	1.3
133.10110	16.3
135.11668	68.9
136.29036	1.0
137.09584	1.5
137.13287	1.2
139.03889	4.7
139.07460	1.0
141.12688	1.9
145.04942	1.4
145.06491	3.6
145.10027	1.1
147.04422	1.7
147.11661	25.4
149.09544	1.1
149.13246	11.6
149.55502	1.0
151.03812	1.0
153.12712	11.7
159.11684	1.1
161.13208	10.2
163.14848	2.0
167.06996	1.0
167.34285	1.0
171.13794	5.5
175.14825	2.0
203.17923	40.1
203.19691	1.9
221.15575	2.5
221.18956	95.1
222.19403	1.5
223.13376	1.3
239.16452	1.5
239.20004	14.1
251.06448	1.0
259.09457	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.274
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28880	0.7
52.90294	0.7
53.00313	0.9
53.03920	0.9
55.01862	1.9
55.05497	6.4
56.20553	0.9
57.03421	1.9
57.07062	0.9
59.04990	1.2
61.02909	1.7
65.03911	1.1
66.05647	0.8
67.05491	8.2
69.03407	7.0
69.07057	14.0
70.06567	7.7
71.04973	30.8
72.08134	5.6
73.06537	1.4
74.06073	1.0
75.08367	0.9
79.05457	13.1
81.03391	2.4
81.07037	96.9
83.04951	1.5
83.08609	1.8
85.02885	25.0
85.06523	1.7
86.09698	4.3
87.00797	4.3
91.05444	8.0
93.07017	40.5
95.04954	2.3
95.08591	25.7
97.02872	6.1
97.06495	4.5
99.08062	4.5
105.01843	2.5
105.07009	52.6
107.04933	7.5
107.08572	42.3
109.02862	1.9
109.06501	1.2
109.10139	39.9
111.04422	1.1
111.08039	1.8
113.09607	1.7
119.08555	98.7
120.08080	4.3
121.10122	6.7
123.04399	4.6
123.11688	12.7
124.04779	1.2
125.04877	1.3
125.09607	1.6
127.03902	4.5
127.11164	29.0
127.12028	1.8
133.10110	20.1
135.11670	78.3
136.00723	0.9
137.05965	1.7
139.03923	1.8
141.12732	1.9
141.85622	1.0
145.04942	2.4
145.06490	1.2
145.10181	1.3
147.04283	1.2
147.11670	27.4
149.05962	1.3
149.13246	9.8
153.12712	18.0
157.10147	1.2
161.06029	1.1
161.13214	8.7
163.14787	1.9
171.13779	3.8
175.14774	2.0
177.16367	1.4
195.13759	1.1
203.17914	52.6
221.18953	100.0
239.19991	15.3
240.12866	1.2
259.09729	4.3
276.08383	1.1
404.07367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2528
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47898	0.7
53.00305	0.9
53.03926	1.7
53.65496	0.7
54.81890	0.8
55.01859	7.4
55.05264	1.3
55.05502	23.0
56.96542	1.1
57.03417	5.3
59.04977	6.0
61.02894	1.3
62.92601	0.8
65.03911	1.6
66.71979	0.8
67.05489	100.0
69.03375	1.3
69.07033	5.0
71.04959	5.9
73.11638	0.9
79.05472	17.8
81.03401	6.5
81.07034	28.2
83.01325	5.5
83.04971	8.8
83.08608	11.2
85.02876	4.3
85.06509	4.0
87.34340	0.8
91.05461	20.6
93.07021	23.2
95.04943	5.5
95.08582	11.3
97.02866	1.8
97.06464	3.3
97.10149	1.3
99.04425	1.4
99.86047	0.9
105.07011	9.4
105.28905	1.1
107.04926	8.9
107.08553	11.6
109.06516	6.3
109.10139	52.4
110.78361	0.8
111.08058	4.5
117.06985	7.9
119.08559	9.3
121.06438	3.5
121.10128	5.0
123.04400	5.4
123.08077	4.1
125.05997	1.1
129.07025	1.1
133.10109	1.5
135.04419	1.3
135.11650	6.1
137.05965	3.8
137.09570	4.2
143.08545	1.0
145.10068	7.4
147.11658	1.4
151.07486	1.3
153.05399	1.0
153.12682	2.0
156.41634	0.9
163.11131	13.0
164.98929	1.0
165.05455	8.5
173.09593	0.9
173.11720	11.5
197.13324	1.0
209.11688	1.5
227.12721	1.7
257.08148	1.4
263.41974	1.0
287.09082	9.3
327.70419	0.9
353.55707	1.0
437.25235	56.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2143
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49149	1.7
53.75987	1.5
55.01853	1.8
55.05505	4.3
57.03408	2.0
61.02938	1.8
65.62833	1.7
67.05479	3.8
69.03419	4.5
69.07040	11.1
71.04978	4.2
73.02871	2.2
77.84292	2.0
79.05481	4.1
81.03423	2.3
81.07036	22.5
83.04959	2.3
83.08600	3.7
85.02866	6.7
91.05497	3.5
93.06474	1.6
93.07030	11.6
95.04868	1.9
95.08595	15.6
97.06504	3.5
97.10156	2.7
99.08041	3.4
105.06995	12.8
107.04940	2.5
107.08575	12.2
109.10152	16.3
111.07992	2.0
119.08549	13.3
121.10136	3.6
123.04433	3.0
123.11673	8.8
127.11169	3.1
133.10120	3.8
135.11639	11.5
136.12041	2.0
137.05878	3.1
147.11653	8.4
149.13222	2.3
159.11670	2.4
161.13274	1.9
165.05463	3.2
179.17809	2.2
185.04173	14.4
189.85190	2.7
203.17944	12.4
204.18291	3.6
206.96626	1.9
221.15401	2.0
221.19069	10.1
233.64343	2.0
239.19908	3.6
245.29556	2.1
287.09363	3.6
437.15485	4.3
437.21417	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2142
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49853	2.2
55.05493	11.2
56.96543	13.5
57.03430	3.9
57.07064	6.1
58.23380	2.3
61.02896	4.9
67.05491	23.8
69.03401	4.4
69.07039	14.1
69.62115	2.3
71.04952	3.0
73.02911	3.0
79.05467	4.9
80.05712	2.4
81.03384	3.6
81.07031	19.7
83.08602	5.2
85.02882	17.4
91.03885	3.8
91.05438	13.4
93.06998	13.4
95.04953	3.2
95.08575	20.3
97.02811	8.4
97.06538	4.2
97.10161	4.0
98.97553	2.7
101.41903	2.2
105.07005	12.1
107.04922	12.4
107.08560	10.6
109.06492	3.3
109.10132	14.8
117.07086	2.8
119.08555	3.3
121.06490	2.7
121.10126	3.5
123.04407	9.4
123.11666	5.4
131.08464	2.5
133.10118	4.6
135.04408	4.0
137.05959	10.4
138.86659	2.5
145.10103	2.7
147.04340	2.8
147.11635	3.4
149.09552	3.0
151.07550	3.2
153.05457	5.9
163.11011	3.3
165.05424	12.4
203.17905	3.4
239.19978	3.4
255.08910	3.1
257.21158	3.0
267.09024	15.8
275.16086	56.0
285.10068	31.3
286.10257	3.1
287.09064	19.3
324.11469	3.2
437.21371	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.3
53.03929	1.1
55.01860	3.2
55.05496	3.4
57.03426	0.9
57.07060	0.9
58.55185	0.7
59.04972	1.7
61.02898	1.4
67.05478	1.6
69.03407	5.8
69.07040	5.2
70.06570	1.1
71.03573	0.7
71.04973	27.2
73.02928	0.8
73.06528	8.6
73.20810	0.9
77.84654	0.7
79.05463	9.1
80.20988	0.9
81.03391	2.0
81.07031	40.4
83.08566	1.5
85.02893	16.1
85.06516	1.0
87.00828	7.5
91.05454	4.6
92.09354	1.6
93.07016	24.3
95.04943	1.0
95.08593	5.8
95.83887	0.9
97.02860	4.6
97.06473	1.3
98.97592	1.3
99.04434	1.0
105.01852	6.3
105.07001	4.0
106.02864	1.8
107.04910	1.1
107.08570	22.4
109.02871	4.0
109.06448	3.2
109.10143	4.7
116.98624	1.2
119.08567	3.4
121.10149	1.1
123.04412	1.3
124.03920	1.6
127.03873	4.3
135.08015	1.0
135.11659	34.0
139.03876	2.1
148.88837	0.8
149.05925	0.8
151.86113	0.8
153.12709	100.0
154.43378	0.9
167.06955	7.3
181.04921	4.3
204.23810	1.1
209.08087	1.3
222.75272	0.8
331.81580	1.0
336.05728	0.9
357.82553	0.9
371.50082	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.18
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00270	0.6
53.03930	1.4
55.01851	4.2
55.05489	4.2
57.03420	3.2
61.02903	2.9
67.05478	4.5
69.03416	9.5
69.07041	4.3
70.06574	12.2
71.04974	7.6
72.08130	7.2
73.02890	0.7
79.05472	10.6
81.03390	4.8
81.07030	12.5
83.04951	4.5
84.08093	1.0
85.02880	19.4
85.06511	1.7
86.09685	3.8
87.00784	3.0
91.05460	5.3
93.07021	19.7
95.04924	6.3
95.08579	6.3
97.02861	6.0
97.06487	2.9
99.04457	2.4
103.05434	3.0
105.01827	1.6
105.07006	8.0
106.37903	0.6
107.04935	100.0
107.08591	8.6
109.02843	5.6
109.06503	3.3
109.10126	3.6
111.04400	0.7
111.08079	1.5
113.05994	1.3
117.00346	0.7
118.11771	0.7
119.04903	2.9
119.08582	5.6
120.08086	9.0
121.06477	12.0
121.10095	3.3
123.04386	4.8
123.08034	0.8
123.11598	1.1
124.04719	0.8
125.05944	0.7
125.09599	1.2
127.03870	4.8
131.04881	3.4
131.08543	1.2
133.06474	20.3
133.10101	4.0
135.04431	1.1
135.08040	1.1
135.11685	8.1
137.05931	14.0
137.09576	1.1
139.03871	13.9
139.11143	0.8
143.08568	1.0
145.04909	1.2
145.06474	1.4
145.10040	1.3
147.04385	0.9
147.11649	1.1
148.07440	0.8
149.05949	5.3
151.03867	0.8
151.11163	1.7
153.09062	1.7
153.12712	15.3
157.06421	1.5
159.07942	0.9
159.11690	1.0
161.05949	7.6
162.13451	0.7
171.07974	1.5
171.13751	1.5
173.05836	0.8
173.09552	1.0
175.11057	0.7
175.14864	0.9
179.08478	1.1
181.12053	0.7
183.08032	2.6
193.12260	1.3
197.09616	2.8
198.97708	0.7
203.17792	1.0
215.10556	4.9
221.11617	1.2
221.15334	1.5
221.19073	1.1
225.09065	1.6
239.12790	1.6
243.10069	12.6
257.17401	0.9
275.12689	24.6
443.03427	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.123
Annotation	Epigallocatechin 3-O-cinnamate
Peak:m/z	Relative Intensity
55.05505	3.7
59.55434	0.8
67.05481	6.5
69.03403	1.1
69.07053	4.8
71.04960	2.1
71.54738	0.9
79.05480	3.8
81.07028	9.9
83.04969	1.1
83.08586	1.0
85.02921	3.3
85.65681	0.9
91.05446	8.3
93.07018	4.7
95.04974	1.5
95.08571	7.6
105.03336	1.5
105.07040	2.3
107.04932	1.0
107.08599	6.0
109.06509	1.0
109.10136	5.2
111.04427	4.9
112.32137	1.1
112.63557	0.8
119.04909	12.5
119.08569	4.4
121.02925	1.0
121.06464	1.2
121.10106	1.5
123.04407	100.0
123.11683	3.8
127.11237	1.2
133.10094	4.1
135.11679	4.4
139.03882	91.2
147.04387	32.7
147.11707	1.4
149.05965	1.1
151.03897	7.4
161.05946	1.2
161.13210	1.0
163.03854	1.9
165.05461	1.2
178.22693	1.0
191.03427	8.8
203.17905	3.6
204.18208	1.2
204.50890	0.9
211.09598	1.3
219.92384	0.9
221.19077	5.0
239.20033	1.9
257.21185	1.5
273.07523	4.6
369.20313	1.0
437.21536	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	437.1074
Annotation	Taxifolin 3-alpha-L-arabinofuranoside
Peak:m/z	Relative Intensity
55.01861	6.6
55.05496	6.3
57.03421	10.7
57.13119	1.6
59.04992	2.2
61.02915	18.4
61.55233	1.4
67.05476	3.3
68.99789	1.8
69.03410	27.7
69.07050	3.5
70.03751	6.6
70.06557	7.5
71.01324	2.4
71.04964	3.8
71.80267	1.5
73.02897	100.0
79.05458	7.2
81.03390	7.4
81.07030	17.0
82.07352	1.6
85.02418	2.5
85.02892	43.4
85.03375	3.1
85.06532	7.4
86.03214	3.4
86.09682	9.7
87.03307	1.9
87.04442	18.5
88.04738	2.4
91.05457	7.5
93.07021	11.5
95.04936	8.2
95.08562	12.4
96.31029	1.6
97.02859	19.9
97.06483	4.0
98.03204	2.8
98.97540	4.0
99.04427	3.2
105.07024	21.3
106.07335	3.5
107.04920	3.6
107.08566	18.1
109.02843	3.5
109.06509	7.6
109.10144	12.5
111.04409	8.5
115.03915	16.9
116.04257	2.3
116.98662	1.8
117.04252	2.3
119.08540	12.7
120.08093	13.3
121.02831	7.5
121.06453	2.4
121.10123	9.3
123.04401	53.1
123.11687	8.4
125.09581	3.3
127.03860	3.9
131.08504	2.1
133.04922	8.6
133.10120	12.7
134.05254	2.8
135.04353	2.0
135.05353	2.4
135.08002	2.5
135.11665	9.2
137.05936	2.0
137.09595	2.1
139.03868	10.0
145.04933	2.2
145.10078	2.3
147.11641	6.7
149.02324	58.7
149.09586	4.1
151.03877	3.1
151.11165	11.9
152.11438	2.6
153.01810	71.7
157.06418	2.0
157.10051	1.8
161.02277	3.7
161.09471	2.0
161.13188	1.7
163.07521	1.7
165.01779	2.5
165.09068	1.9
167.03343	11.1
167.07002	2.5
175.11165	2.7
176.10689	2.1
179.10669	3.6
183.02786	2.3
185.05974	3.2
191.03320	1.9
193.12184	7.8
195.02832	14.9
203.17911	10.6
211.07434	3.0
213.05434	10.5
221.15317	2.8
221.18922	8.3
231.06464	42.7
239.06900	3.0
239.12648	14.1
239.16440	5.6
239.20059	2.5
240.07458	2.1
240.12984	7.1
241.04874	9.6
242.05624	7.1
249.03764	2.2
257.08029	21.1
257.17462	2.2
258.08398	9.0
259.05957	38.4
287.05481	15.2
305.06488	56.0
393.91135	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	436.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01867	2.3
55.05500	16.8
57.03426	7.5
57.07063	11.3
59.04988	2.2
61.02903	2.4
66.06522	1.7
67.05494	26.2
69.03407	13.8
69.07056	30.6
71.04974	13.3
72.10847	1.7
73.02872	1.9
79.05468	13.5
81.03400	3.8
81.07038	100.0
83.04940	3.2
83.08612	15.0
83.81700	1.9
85.02887	37.0
85.06534	18.2
91.05470	17.1
93.07030	55.6
95.04933	3.7
95.08585	96.5
97.02874	16.8
97.06509	4.9
97.10153	9.3
99.08066	4.0
105.07019	44.1
107.04951	27.7
107.08582	67.1
109.02904	2.9
109.06518	8.6
109.09396	2.9
109.10141	71.0
111.08082	8.2
111.11650	4.3
113.09641	4.8
117.07009	3.0
119.08564	56.5
121.06436	2.3
121.10132	28.7
123.08092	4.6
123.11678	51.0
123.43068	1.9
125.09605	8.0
127.03874	5.0
127.11185	3.8
131.08490	4.1
133.10106	27.2
135.08070	3.2
135.11679	44.6
137.05908	8.5
137.13234	35.9
139.03960	2.5
147.11674	51.4
148.05194	2.7
149.13254	14.8
151.07437	2.1
151.11198	20.5
151.14795	9.8
159.11668	2.1
161.13240	27.3
163.07500	28.9
163.14815	18.7
165.12729	8.0
175.14806	2.4
177.16461	2.9
179.14290	2.4
191.17937	10.3
193.19533	21.3
203.17931	69.2
209.18962	21.9
221.18974	85.1
239.16272	7.6
239.20024	75.0
257.17361	2.4
257.21066	3.2
447.48303	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	436.2904
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	2.3
53.03945	1.9
54.81791	1.5
55.05510	12.4
57.03419	1.2
57.05675	1.2
57.07059	6.0
61.02910	1.4
67.05495	17.4
69.03413	6.4
69.07059	15.3
71.04974	19.2
72.93241	1.0
78.54228	1.3
79.05475	21.8
79.54809	1.2
81.03416	2.6
81.07039	100.0
83.04961	1.7
83.08604	7.7
83.13763	1.2
85.02901	14.5
85.06531	4.9
86.09652	1.4
87.97088	1.4
91.05461	13.3
93.07021	44.0
95.04952	2.6
95.08582	45.5
96.15646	1.1
97.02864	5.6
97.06508	6.5
97.10148	5.0
99.04440	1.2
99.08085	3.0
101.35589	1.2
105.03381	12.0
105.07013	39.6
107.04930	5.8
107.08575	63.4
109.02850	2.8
109.06519	1.6
109.10149	45.8
111.08026	2.7
111.11694	1.7
113.09657	1.4
119.04929	2.5
119.08558	54.8
121.10126	17.3
123.04399	25.3
123.11691	22.4
125.09613	5.7
127.03842	2.7
127.07585	1.4
127.11170	16.8
133.10114	36.1
135.10654	3.0
135.11673	82.5
137.09651	1.9
137.13239	6.0
139.03894	5.6
139.11096	1.5
143.10641	15.9
145.10095	2.8
147.04385	7.3
147.07994	1.3
147.11659	30.5
149.13185	9.9
151.03949	1.4
151.11128	1.7
153.12698	4.8
159.11670	2.2
161.13211	14.8
163.14822	6.3
175.14679	4.0
201.16379	1.6
203.17929	57.5
221.15479	2.1
221.18976	46.2
239.16258	1.6
239.20010	3.0
249.07565	1.9
257.10864	1.5
267.08716	1.8
335.17676	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2901
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88260	1.7
53.03917	2.6
55.01855	2.9
55.05500	18.9
56.96523	1.8
57.03427	14.6
57.07073	4.8
59.04992	2.1
61.02914	4.6
67.01854	2.8
67.05492	29.5
69.03406	23.6
69.07052	36.9
71.04969	19.8
73.02892	3.1
79.05470	15.8
79.50219	1.7
81.03394	10.2
81.07036	76.7
83.04959	4.3
83.08615	12.2
85.02887	53.9
85.06528	100.0
86.92629	2.4
87.00815	10.7
87.04463	2.3
91.05449	17.8
93.07024	48.3
95.04954	10.9
95.08576	72.6
97.02892	17.7
97.06508	21.0
97.10174	3.5
99.04429	4.9
99.08070	15.4
105.01852	5.1
105.07018	38.8
107.04922	8.7
107.08577	45.2
109.02854	4.4
109.06516	9.6
109.10147	45.2
111.08064	10.2
111.11703	3.8
113.09635	3.4
119.04916	11.3
119.08562	33.1
120.05241	2.9
121.02776	2.6
121.06524	2.9
121.10126	34.5
123.04391	19.2
123.08054	4.9
123.11683	23.7
125.05964	3.0
127.03912	11.9
127.07533	3.6
127.11162	4.8
131.08519	2.5
133.06517	2.1
133.10088	21.2
135.04405	2.8
135.07993	3.3
135.11650	29.6
137.05998	4.6
137.09596	2.6
137.13290	2.8
139.07562	4.4
139.11205	4.7
145.04990	7.7
145.10095	8.8
147.04369	22.3
147.08029	2.8
147.11659	38.7
148.04713	15.3
151.11122	2.7
153.01787	50.1
153.05461	12.1
153.12755	12.1
154.02133	24.7
157.10130	3.4
157.12212	17.2
159.11754	2.8
161.05984	2.4
161.13181	16.4
162.25563	2.2
163.03917	3.3
163.14804	9.6
165.12717	8.8
171.13832	2.3
173.13341	2.3
175.11197	7.9
175.14816	10.4
176.04625	3.6
177.16469	3.6
181.04991	2.6
185.13234	3.3
189.12764	2.7
191.03242	15.2
191.07027	11.9
193.12248	3.6
193.15952	2.6
199.16943	3.2
203.17923	76.6
203.19678	4.2
207.13890	2.5
210.22346	2.4
217.12146	3.2
221.15413	4.0
221.19006	27.9
235.13364	2.5
237.02811	4.5
239.10728	2.4
239.16399	12.4
239.19975	24.7
257.17413	3.3
257.21008	16.2
273.07578	13.5
274.07874	32.6
283.73306	2.2
285.07477	2.5
371.06311	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	436.217
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23561	0.4
51.34608	0.3
52.83733	0.4
53.00305	1.7
53.03935	0.8
55.01864	0.7
55.05505	3.9
55.58275	0.5
57.03429	4.0
57.07056	0.5
59.04979	2.3
61.02891	0.4
65.03909	0.4
67.05482	2.8
68.99769	0.7
69.03425	4.4
69.07055	6.4
71.04977	38.8
72.05301	4.9
73.02879	0.9
73.05373	0.9
73.06530	5.3
75.04417	0.4
76.56589	0.5
79.05480	5.6
80.62135	0.4
81.03384	2.0
81.07038	31.1
83.04964	1.0
83.08603	1.0
85.02891	18.3
85.06525	1.9
86.03230	4.1
87.00826	4.5
87.03323	0.9
89.37043	0.5
91.05441	2.2
93.07017	19.8
95.08583	8.5
97.02866	2.8
97.06487	1.1
99.04461	1.1
105.01847	2.8
105.07018	3.7
107.04942	2.9
107.08574	19.9
109.02844	2.2
109.10141	8.3
111.08048	1.1
117.35316	0.5
119.08547	3.3
121.02834	0.8
121.10155	3.3
122.83306	0.5
123.11681	2.4
127.03875	3.8
129.05458	1.0
133.10098	3.4
135.11667	31.5
145.04962	1.8
147.11697	4.7
149.13217	1.2
153.01700	0.6
153.12718	100.0
154.02144	0.6
161.13210	2.1
163.14844	0.6
179.14247	0.6
191.17903	0.6
203.17921	12.2
209.18819	0.6
221.18950	9.0
239.16367	2.3
239.20100	2.7
287.05441	5.7
288.05777	16.1
289.05988	18.7
290.06250	26.9
407.97913	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	4.6
55.01858	13.3
55.05508	5.4
57.03420	10.5
57.07037	2.8
61.02917	10.4
61.49409	2.1
67.05486	11.3
68.12741	2.0
68.99818	2.6
69.03410	46.8
69.07040	17.7
71.04973	33.1
73.02895	11.0
73.06542	2.4
73.39965	1.8
79.05474	11.5
81.03399	28.1
81.07042	50.7
83.04977	2.7
83.08608	2.9
85.02888	100.0
85.06518	11.1
87.00816	60.8
87.04447	2.7
91.05459	10.9
93.07037	35.9
95.04945	4.1
95.08587	18.0
97.02869	52.5
97.06516	4.7
99.04389	16.2
105.01845	40.7
105.06995	20.0
107.04934	8.8
107.08573	42.8
109.02860	24.4
109.06478	11.4
109.10151	18.2
111.04311	3.2
115.03951	3.2
117.01839	2.8
117.07016	4.7
119.08548	26.9
121.06498	3.8
121.10115	10.3
123.08009	2.5
123.11657	8.8
125.09641	2.6
127.03883	54.0
129.01868	2.8
131.08611	4.2
133.06488	2.4
133.10117	9.3
135.08046	3.4
135.11661	33.8
136.97975	2.1
137.09642	2.6
137.13203	3.2
139.07574	2.1
145.04930	18.8
145.10057	3.8
147.07971	2.4
147.11690	4.7
149.09579	2.6
151.11194	4.3
153.01768	2.9
153.12714	74.4
159.02904	9.8
159.11639	3.7
161.13237	10.0
165.12666	2.7
171.02919	2.7
173.09543	4.2
175.14923	2.5
177.12708	3.9
189.12820	2.4
195.13750	5.1
203.17957	3.1
215.23027	2.2
221.15393	9.4
231.04955	5.1
233.15285	2.3
239.16348	3.4
249.06067	5.1
274.07849	3.5
281.29990	2.4
365.15982	4.9
383.16824	11.8
401.18210	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	436.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
55.01859	0.7
55.05490	0.7
57.03419	1.1
57.07041	0.2
57.27100	0.1
59.04988	0.2
61.02909	1.3
65.03896	0.2
67.05483	0.4
69.03423	1.5
69.07051	1.4
71.04955	1.0
73.02898	0.3
74.57931	0.2
76.55933	0.2
79.05467	1.7
81.03383	0.9
81.07037	2.3
83.08588	0.7
85.02886	5.6
85.06532	2.0
91.05455	1.1
93.07017	1.4
95.04971	1.3
95.08568	1.8
95.62563	0.2
97.02868	2.1
97.06512	0.3
97.10094	0.2
99.04439	0.7
99.08107	0.6
103.05444	0.8
105.04488	0.2
105.07010	4.9
107.04935	100.0
107.08582	0.8
108.05255	0.2
109.02822	0.3
109.06503	0.8
109.10114	1.3
111.08082	0.3
111.11743	0.2
117.06965	0.2
119.08575	1.0
121.02827	0.4
121.10130	1.1
123.08066	0.7
123.11713	0.4
127.03876	1.3
127.11165	0.3
131.04893	0.2
131.08595	0.2
133.06462	16.0
133.10193	0.2
135.08046	1.1
135.11679	0.3
136.05196	0.2
137.05948	10.3
138.06258	0.3
139.11136	0.4
145.04935	0.3
147.11719	0.3
151.07515	15.3
151.11118	0.2
157.12238	1.1
161.05975	0.3
162.06291	0.3
163.07501	2.3
163.14737	0.2
177.16252	0.2
180.08701	0.2
180.42546	0.2
203.17873	0.4
209.04440	1.0
210.04858	0.4
221.19019	0.8
221.35370	0.2
239.16472	0.2
239.20062	1.1
257.08307	0.7
257.11655	15.7
257.21036	0.6
258.08438	0.8
258.84183	0.2
277.11328	0.2
285.07611	0.2
286.07922	0.2
360.17615	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1809
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01869	8.7
56.56842	0.8
57.03426	18.5
57.57224	0.7
61.02914	17.3
63.87093	0.9
65.03919	1.4
66.53104	0.8
69.03416	26.3
70.06554	1.1
71.01321	4.7
71.04970	3.6
73.02899	100.0
74.38843	1.0
76.98802	0.8
79.05488	1.0
81.03387	6.5
85.02890	56.9
87.04445	2.4
91.03925	1.3
91.05462	1.0
92.64164	1.1
93.03389	1.5
96.04471	0.9
97.02871	38.4
97.06514	1.7
99.04427	3.6
103.03919	1.5
105.06997	14.8
107.04938	3.9
107.08571	1.1
107.96009	1.0
109.02848	4.7
109.06477	1.6
109.10223	0.8
110.03618	1.4
111.04419	4.5
113.12002	0.9
115.03903	18.7
119.08504	1.0
121.06464	3.5
125.05968	81.8
127.03903	13.9
131.04909	0.9
133.04953	15.4
133.06461	24.0
133.10089	2.0
135.04366	1.0
135.07994	1.1
137.05960	54.5
139.42987	0.9
145.04977	12.7
147.11713	0.9
149.05983	5.4
161.05959	9.9
161.09705	1.2
163.05983	7.0
163.07523	6.0
165.09084	12.2
167.07010	1.1
175.07549	1.9
175.09805	1.1
179.07088	1.1
183.10208	3.6
191.07047	2.3
203.06989	1.7
203.10515	1.3
221.08107	7.3
221.11665	3.9
221.94930	1.3
223.06009	1.8
233.07834	1.1
239.08966	1.9
239.12715	3.4
241.06923	1.4
251.09009	1.3
257.13751	12.4
259.08102	2.3
272.91434	1.0
431.65768	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	436.1447
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	12.4
55.01856	16.5
55.05484	1.1
57.03426	8.6
61.02916	7.8
61.91710	0.8
65.03908	4.2
67.38880	1.1
68.99770	7.8
69.03411	45.2
70.89727	1.0
71.01305	0.9
71.04975	8.0
73.02895	13.4
79.86103	1.0
79.86602	1.0
81.03393	38.3
83.01329	1.2
83.04949	4.3
85.02885	100.0
86.02164	1.0
87.00806	50.3
91.03930	2.6
93.03391	2.1
97.02863	35.4
99.04440	17.4
101.02467	1.0
105.01845	19.8
107.04942	12.7
108.04443	8.7
109.02857	33.4
111.04408	26.5
117.01816	4.8
121.06344	1.2
124.07562	1.8
125.05942	1.2
126.05473	4.3
127.03883	46.1
129.01793	5.9
135.04405	4.7
139.03876	59.5
141.05556	1.5
145.04933	17.3
147.02887	2.3
151.07515	2.1
153.05447	1.5
159.02855	19.4
163.03839	17.4
169.04889	2.4
171.06479	42.4
177.05360	1.6
180.04108	1.2
181.04916	6.9
189.03845	2.5
195.06485	18.1
205.04916	1.4
207.06551	2.0
209.08009	1.3
213.07555	12.4
230.06514	1.9
231.04927	7.1
233.08171	1.8
237.07533	11.0
248.07559	2.5
261.07547	7.5
279.08530	13.2
383.09518	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	435.3943
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	2.5
56.04767	1.1
56.05027	25.7
59.97199	0.5
67.05491	12.5
69.06710	0.7
69.07050	11.1
70.06553	0.9
71.04985	0.5
72.04477	0.7
79.05481	0.7
81.07040	4.8
83.08594	2.1
89.05999	0.5
91.05454	7.0
92.08626	0.5
92.09182	0.7
93.07014	6.9
95.04955	0.7
95.08588	6.9
107.08540	0.9
109.10145	16.9
110.09672	0.7
111.08023	0.6
111.11685	3.2
119.08568	7.5
120.29676	0.5
121.10091	0.6
126.12763	0.7
133.10132	0.8
136.11224	3.8
137.09592	5.9
153.05511	0.8
154.12244	100.0
165.12918	0.5
171.14885	38.3
175.20644	0.5
178.28143	0.6
199.70700	0.5
213.19434	0.5
263.82953	0.6
288.15662	0.5
354.67410	0.5
418.36545	2.5
435.39792	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3469
Annotation	Irisoquin D
Peak:m/z	Relative Intensity
55.01849	0.7
57.07055	0.8
66.78496	0.6
67.05484	0.9
69.07044	0.9
69.94186	0.6
81.07035	1.6
81.61804	0.8
83.08562	0.8
91.05454	1.0
93.07033	0.9
95.08582	1.1
97.16246	0.7
99.00789	1.0
99.04417	3.6
105.07007	1.4
106.08621	0.8
111.04415	4.6
119.08585	1.1
121.10066	0.8
123.11595	0.9
125.05940	13.4
133.10153	0.8
136.41417	0.7
141.05453	5.6
145.10098	1.1
153.05440	100.0
178.74223	0.7
184.96758	0.7
266.71954	0.8
279.87943	0.9
417.33234	5.4
435.28940	1.2
435.34604	23.5
450.80634	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.3465
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.0
55.05503	2.4
56.04767	0.4
56.05027	8.5
56.47661	0.2
57.07057	0.6
65.03931	0.2
67.05494	4.0
68.05007	0.2
69.07055	4.5
69.30437	0.2
70.06551	0.3
71.04980	0.3
72.04485	0.3
79.05459	0.5
81.07043	1.9
83.08593	1.5
91.05456	2.8
93.07027	2.8
95.04939	0.4
95.05900	0.2
95.08569	3.1
97.10135	0.4
99.00795	0.5
99.04432	3.1
105.07024	1.0
107.08559	1.0
107.33656	0.2
109.06497	1.1
109.10147	7.6
110.09651	0.3
111.04424	3.0
111.08044	0.4
111.11708	0.6
113.05992	0.2
115.60823	0.3
119.08562	2.7
121.10137	0.9
125.05970	9.5
131.08438	0.3
133.10106	0.3
136.11195	1.4
137.05962	0.3
137.09605	2.1
139.50774	0.2
141.05426	4.9
145.10129	0.5
153.05443	100.0
154.12244	32.8
159.11617	0.3
167.06952	0.5
171.11746	0.3
171.14888	14.4
195.10208	0.2
213.64621	0.2
319.78827	0.2
417.33536	28.1
418.37256	0.4
435.34531	0.7
435.39346	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2585
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
53.82307	0.3
55.01865	3.0
55.05502	5.8
57.03428	14.0
57.07055	0.8
59.04981	0.7
61.02912	4.1
67.05489	3.1
68.99768	0.8
69.03419	3.9
69.07053	3.4
71.01319	0.5
71.04968	4.3
73.02897	24.2
79.05453	1.9
81.03396	1.4
81.06602	0.4
81.07038	8.5
82.07340	0.4
83.04956	3.8
83.08572	0.6
85.02889	7.0
85.06524	2.6
87.00803	0.5
91.05457	4.8
92.05766	0.9
92.09304	0.5
93.03392	0.4
93.07021	8.6
94.07301	0.6
95.04945	3.6
95.08585	5.4
97.02863	1.5
97.06490	3.3
99.04417	0.4
105.01862	0.6
105.07012	7.6
106.07269	0.4
107.04939	0.8
107.08572	7.8
109.02851	0.9
109.06490	1.9
109.10127	5.5
111.00790	0.9
111.08051	1.7
115.03916	2.1
117.07013	1.6
119.08574	4.9
121.02829	2.2
121.06490	8.6
121.10144	6.6
122.06803	5.4
123.04378	0.7
123.08006	0.6
123.11623	1.7
125.09612	0.7
127.03852	1.5
127.07558	0.5
127.11154	2.1
129.09111	0.5
129.10246	0.4
131.08572	3.1
133.04973	0.9
133.10106	12.0
134.10367	0.5
135.11676	4.0
137.02313	5.5
137.05959	1.9
139.07504	3.0
139.11139	3.0
140.07805	1.5
143.10672	0.6
145.06419	0.4
145.10098	5.6
146.10439	1.6
147.11658	2.5
149.02365	0.6
149.13214	1.8
151.07521	20.3
151.11118	3.9
152.07858	16.5
153.01785	6.2
153.05435	0.6
153.12735	1.9
154.02083	0.4
155.04996	0.4
157.10063	0.4
159.11678	3.2
160.11958	0.5
161.05914	0.5
161.13219	1.9
163.03850	0.5
163.11151	0.4
165.01833	3.1
167.07027	0.6
173.13295	0.5
175.14725	0.5
177.12563	0.4
179.14238	0.4
183.02834	1.6
187.03833	0.5
191.17969	0.6
193.12253	0.6
195.03024	0.4
195.86578	0.4
201.05461	2.7
201.16351	4.5
202.16656	1.5
219.17397	5.4
220.17752	2.0
221.11804	0.5
229.04939	5.8
237.18451	14.6
238.18834	0.7
239.12677	0.7
247.05948	0.5
255.06334	0.8
255.19472	1.7
257.04425	4.2
258.04709	0.5
273.06897	0.6
273.20544	0.5
274.04660	0.7
285.03891	1.6
303.04919	100.0
304.05310	5.7
435.16010	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.2503
Annotation	1-(9Z,12Z-octadecadienoyl)-glycero-3-phosphate
Peak:m/z	Relative Intensity
53.00313	2.8
55.05507	45.2
56.73707	3.4
57.03419	21.2
57.07060	5.4
60.26484	2.7
66.68101	2.9
67.05495	87.7
69.03447	2.9
69.07062	36.3
71.08591	3.3
79.05471	26.9
81.07038	97.6
83.08615	23.4
85.06571	2.9
91.05470	35.2
93.07015	32.8
95.08576	76.8
95.09132	5.0
97.06523	5.5
97.10159	7.4
98.98447	100.0
105.07024	27.4
107.04980	3.5
107.08595	21.8
108.99533	3.1
109.06494	23.7
109.10161	31.3
116.99511	4.7
117.07023	3.3
119.08547	23.9
121.06550	3.9
121.10132	20.7
123.11703	12.5
131.08591	6.2
133.10179	4.6
135.11693	13.3
143.08588	5.5
145.10136	6.3
147.04420	15.8
147.11731	15.1
148.04680	4.5
149.13194	4.3
151.07536	4.5
155.00978	22.2
157.10161	4.1
161.09575	4.2
173.01891	3.5
183.11696	4.6
193.10124	5.0
242.24895	3.7
245.22530	5.2
263.23679	29.5
274.96194	3.4
315.00998	3.1
319.26398	4.6
337.27310	91.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27844	1.0
66.34014	1.0
66.85854	1.0
67.05492	2.0
72.04496	10.1
79.05463	5.4
81.07027	4.7
83.04926	1.2
83.08614	1.3
91.05463	10.3
93.07024	2.3
95.04944	5.1
95.08599	2.3
103.05436	5.0
105.06998	8.7
106.04163	1.4
107.04932	89.5
107.08562	1.7
109.06475	2.0
111.04400	1.1
115.05364	1.2
118.61266	1.3
119.04903	2.6
119.08513	2.1
119.95426	1.0
121.02840	5.3
121.06470	29.7
123.04382	5.2
125.05994	2.2
130.73663	1.1
131.04880	28.2
133.06485	7.7
135.04405	1.8
135.08009	1.6
137.05954	37.9
137.09708	1.5
139.07538	5.8
145.06479	5.6
147.04391	2.3
148.05206	1.5
149.05940	7.8
151.03860	1.8
151.07507	50.9
161.05981	7.8
163.07471	7.5
165.05466	7.2
167.06990	2.0
175.07483	5.3
177.09001	4.5
179.06963	5.6
187.36154	1.1
189.09161	1.4
191.06960	5.2
195.08022	2.1
197.62779	1.2
205.08572	6.0
212.08171	1.4
214.06242	2.1
223.07513	1.8
224.08243	1.9
238.08994	4.8
240.07826	2.2
242.05684	53.2
243.10153	2.1
255.10080	11.0
257.08282	1.4
257.11609	2.8
269.11710	10.1
270.05090	12.7
285.07498	100.0
287.12769	10.7
297.11057	1.7
299.12759	7.6
311.12772	1.9
315.12344	2.1
423.97083	1.1
435.14267	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1283
Annotation	Dihydrokaempferol-3-O-alpha-L-rhamnopyranoside
Peak:m/z	Relative Intensity
53.03937	0.7
54.96096	0.3
55.01845	0.6
55.05498	1.6
56.96556	0.2
57.03426	16.0
59.04986	1.3
61.02901	1.4
69.03400	2.9
71.01328	0.8
71.04974	100.0
73.02892	2.8
74.60561	0.3
75.04455	3.9
79.05469	0.4
81.07040	0.3
83.04952	1.6
85.02888	85.5
87.04443	1.3
91.05484	0.3
95.04875	0.3
95.08597	0.5
95.16801	0.3
99.04441	0.7
107.04935	15.0
111.04462	2.4
116.44238	0.3
121.02838	1.8
123.04412	0.3
129.05444	16.1
135.04395	2.3
138.18895	0.3
139.03862	0.7
141.06943	0.4
146.71478	0.3
147.04398	2.3
147.06523	2.7
148.28221	0.3
149.01112	0.5
149.02313	14.6
153.01799	21.2
161.13338	0.4
161.99284	0.4
163.03824	0.4
165.01759	0.5
167.03340	1.8
188.20415	0.3
195.02805	3.0
197.05835	0.6
200.94530	0.3
215.06992	13.4
219.02832	0.4
239.06905	0.6
242.05434	0.4
243.06465	8.0
245.04340	1.3
263.05414	0.7
271.05969	5.3
273.07465	2.5
285.07404	0.6
289.07010	12.9
367.39206	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.42650	0.6
53.03931	1.0
53.53310	0.9
53.72966	0.6
55.01863	1.0
55.05495	4.4
57.03412	0.7
57.07061	1.2
57.82351	0.7
58.20351	0.7
65.03931	1.7
65.70918	0.7
67.05480	4.6
68.99758	0.8
69.03403	1.1
69.07049	5.3
71.04971	1.8
79.05474	6.9
81.07030	15.5
81.78100	0.9
82.07359	1.2
83.04961	1.1
83.08601	3.5
85.02887	3.9
85.06516	1.7
85.13264	0.7
89.03868	0.9
91.05471	6.9
92.08659	2.5
93.07018	8.8
95.04935	6.2
95.08588	12.4
96.08911	1.1
97.06497	1.0
97.10127	0.7
99.04419	7.4
100.79452	0.8
103.05448	6.1
105.03362	1.4
105.07000	6.3
107.04933	80.9
107.08594	7.4
108.08920	1.5
109.02864	1.9
109.06499	3.4
109.10148	9.5
111.08041	0.7
117.06986	1.7
119.04902	2.9
119.08555	6.3
120.08900	0.8
121.02831	5.2
121.06498	1.6
121.10107	10.9
122.03600	1.2
122.10506	1.0
123.04406	1.8
123.08031	1.1
123.11678	6.3
124.12040	0.9
125.05938	0.9
127.07519	1.0
128.06155	0.8
131.04886	10.1
131.08517	1.1
133.02835	3.4
133.06459	1.7
133.10088	1.8
135.04372	14.6
135.11659	3.6
137.02307	1.4
137.05957	30.9
141.06976	2.8
143.08597	1.4
145.10107	3.4
147.11693	0.9
149.09564	1.2
149.13248	1.6
150.06772	1.0
151.03909	3.3
152.06131	1.1
153.05513	1.1
153.06935	1.1
157.06473	1.1
157.10080	1.0
159.00757	1.6
159.11655	1.7
161.05936	4.0
161.13197	3.5
163.03868	11.2
163.07504	1.5
163.11082	1.0
167.07050	3.0
169.06465	6.1
171.04327	2.9
173.13158	1.0
177.05396	1.1
177.16362	8.1
178.16719	3.4
181.04939	2.7
181.06458	2.7
183.07990	1.3
186.06723	1.4
191.03337	19.3
197.05919	7.4
198.06712	3.2
201.16293	3.1
202.02548	3.0
202.16660	1.2
203.06990	1.8
209.04410	67.6
211.07489	1.2
213.05516	1.1
217.04938	5.2
219.17390	1.6
225.05434	8.1
226.06125	1.7
229.08522	1.3
237.18468	8.2
238.18803	4.6
241.04898	7.2
242.05644	1.7
253.04950	1.0
255.19388	4.9
256.19949	1.1
257.08014	100.0
270.05167	6.9
279.99780	0.8
285.07504	56.7
341.10178	5.1
407.14630	1.1
435.14304	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	435.128
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
52.54140	0.3
53.03938	0.9
53.27168	0.4
54.81329	0.5
55.01859	0.8
55.05502	5.4
57.03433	3.4
61.02909	3.0
61.66107	0.4
67.01849	0.5
67.05498	0.9
68.99781	1.8
69.03418	7.8
69.07054	1.8
71.04965	2.6
72.08136	0.9
73.02874	0.6
73.20875	0.5
79.05493	0.5
79.24206	0.4
81.03398	3.2
81.07040	4.2
82.06549	1.0
83.04951	0.6
83.08615	3.3
85.02890	19.8
85.06509	1.1
86.09690	2.3
87.04472	0.6
91.05457	5.3
93.07022	3.0
95.04939	2.5
95.08594	2.1
97.02872	6.8
97.06484	0.8
99.04472	0.7
100.07614	0.8
100.11221	9.2
105.07007	4.3
107.04913	3.5
107.08555	3.2
109.02887	2.0
109.10149	1.1
110.06008	0.8
110.41764	0.5
111.00800	0.8
111.04415	1.0
111.08057	0.4
117.07001	0.7
119.04913	14.4
119.08567	2.6
120.08095	1.9
121.02845	3.2
121.06486	1.0
121.10126	2.5
123.04385	7.9
125.09606	0.7
127.03886	3.1
127.07582	0.4
127.08659	0.8
131.08549	1.9
133.10143	3.3
135.11719	0.6
137.06055	0.5
139.03914	0.8
139.08615	0.9
145.04991	0.7
145.10150	3.4
147.04388	46.5
147.11703	0.7
151.03876	0.8
151.07437	0.6
151.11160	0.6
153.01807	100.0
159.11626	2.2
161.05873	0.6
161.13243	2.4
163.03810	1.6
163.11192	0.7
165.01793	6.3
167.06958	0.5
171.02849	6.8
173.13219	0.8
177.01785	3.0
179.03320	1.0
181.05008	0.7
182.15331	5.3
183.02820	4.7
189.01808	0.7
189.05493	0.6
191.03369	4.2
195.02859	14.0
201.16348	2.6
202.16605	1.6
209.16551	3.3
210.14915	3.3
219.02818	4.7
219.17450	2.0
220.17688	0.6
226.19139	2.0
231.02849	3.1
231.06366	0.6
237.14548	0.7
237.18398	2.4
243.02728	0.5
246.14905	1.9
249.03900	1.9
255.06337	0.8
261.03900	2.3
273.07513	97.4
279.05060	0.6
285.07492	2.1
315.08441	1.7
336.22693	0.9
339.08572	2.3
351.08429	2.4
363.08289	0.6
381.09637	1.0
399.10681	1.6
435.33148	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	435.1282
Annotation	naringenin-7-O-glucoside
Peak:m/z	Relative Intensity
53.03935	1.7
54.81631	0.3
55.01854	1.9
55.05489	2.8
57.03426	3.5
59.04988	0.5
61.02907	2.3
63.13113	0.4
65.03909	0.4
67.01848	1.5
67.05501	1.5
68.99770	0.8
69.03419	7.0
69.07045	1.6
71.04979	2.6
72.08130	0.8
73.02884	1.8
74.56907	0.3
79.05475	1.7
81.03413	3.0
81.07040	3.4
83.01362	0.4
83.04935	0.4
83.08588	2.6
85.02892	20.5
85.06480	0.6
86.09686	0.9
87.04453	0.6
88.83085	0.4
91.03920	0.7
91.05470	5.3
92.63625	0.4
93.06505	0.5
93.06990	2.9
93.53298	0.4
95.04946	2.6
95.08580	1.6
97.02873	6.5
99.04446	0.6
100.07600	0.5
100.11235	4.5
105.07008	4.0
107.04939	3.3
107.08566	2.8
109.02898	2.7
109.10119	1.6
111.04434	0.9
115.01153	0.3
115.51976	0.3
119.04921	12.5
119.08556	2.6
120.08101	0.7
120.49758	0.4
121.02859	3.4
121.06482	0.8
121.10112	2.5
123.04404	6.7
123.11659	0.5
125.02318	0.8
125.09613	1.5
127.03906	2.5
131.08533	0.8
133.10097	3.2
135.04333	0.4
135.08099	0.5
135.11641	0.9
137.05946	0.5
139.03886	0.5
145.04916	0.8
145.10088	3.2
147.04390	49.5
147.11646	0.8
149.13170	0.7
151.03947	0.6
151.11163	0.5
153.01807	100.0
159.08049	0.4
159.11636	1.9
160.12068	0.6
161.05934	0.6
161.13217	1.6
162.13689	0.5
163.03909	1.8
165.01801	4.9
171.02827	5.4
173.13237	2.2
174.10506	0.4
174.13647	0.6
175.14798	0.4
177.01804	2.1
178.83040	0.4
179.03328	1.5
179.61322	0.3
181.04869	0.6
182.15387	3.1
183.02859	5.8
189.01793	0.5
189.05467	0.7
191.03328	4.8
195.02859	13.2
201.16360	3.8
202.16747	0.9
203.03178	0.4
205.04904	0.7
207.02940	0.4
209.16495	1.7
210.14896	1.8
219.02878	5.5
219.17426	2.3
226.19212	0.6
231.02872	4.2
233.04399	0.5
233.08128	0.4
237.14476	0.9
237.18456	0.8
243.02907	0.7
246.14795	1.5
249.03864	2.2
255.06367	0.5
261.03857	3.9
273.07520	93.0
274.07892	2.0
279.04861	0.5
285.07495	4.1
296.02039	0.4
297.07288	1.7
315.08490	1.7
336.22702	0.7
339.08484	2.5
351.08606	1.7
381.09592	1.4
399.10587	0.6
417.11511	0.5
418.75323	0.4
435.33234	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	435.0916
Annotation	Quercetin-3-Arabinoside
Peak:m/z	Relative Intensity
54.64354	0.2
55.01866	0.4
57.03429	10.5
58.43805	0.2
61.02909	2.8
65.27358	0.2
67.05482	0.3
68.99767	1.4
69.03402	1.2
71.01330	0.5
73.02898	20.3
74.81087	0.2
79.05441	0.2
81.03390	0.5
81.07030	0.5
81.79967	0.2
83.04935	0.2
85.02887	1.2
91.05496	0.3
93.03413	0.3
93.07016	0.5
95.04940	0.5
95.08567	0.3
97.02868	0.3
105.07018	0.3
107.04939	4.0
107.08568	0.5
109.02849	0.9
109.10149	0.4
111.00760	1.4
111.08031	0.3
115.03926	0.4
117.03342	0.3
119.08495	0.3
120.08101	0.2
121.02837	2.2
121.10124	0.9
123.04401	1.4
133.10086	0.5
135.04448	0.2
137.02318	6.5
137.03333	0.2
145.10095	0.3
149.02344	0.4
151.11096	0.3
153.01799	7.4
155.04942	0.3
161.05966	0.4
163.03853	2.2
165.01799	3.6
166.02525	0.3
167.03287	0.3
173.05936	0.4
183.02892	1.5
185.06021	0.3
187.03777	0.3
191.03348	0.3
195.02933	0.2
201.05415	3.1
213.05432	0.2
219.03021	0.3
229.04909	7.7
233.04520	0.3
247.06029	1.1
257.04340	4.4
273.07465	2.2
274.04697	1.2
285.03986	2.1
303.04926	100.0
304.05219	0.8
336.89185	0.3
449.04993	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2746
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.3
53.03931	1.8
55.01844	1.1
55.05497	11.5
57.03413	1.0
57.07053	4.9
59.04969	1.5
65.03928	1.1
67.05489	10.5
69.03407	6.9
69.07050	15.9
71.04974	44.4
73.06519	6.0
79.05467	19.9
81.07032	41.4
83.04945	2.3
83.08595	9.6
85.02884	13.4
85.06525	4.2
89.29144	0.9
91.05456	21.4
93.07017	35.1
95.04905	2.1
95.08576	42.2
97.06493	6.0
97.10132	4.1
99.08076	11.4
105.07011	60.0
107.08569	38.3
109.06483	4.3
109.10125	21.2
110.03201	1.0
110.07150	1.0
111.08039	1.2
117.06992	2.5
117.33652	1.1
119.08557	16.8
121.06464	1.6
121.10107	24.1
123.04396	2.0
123.08063	1.4
123.11671	8.6
125.09592	21.3
127.03858	1.1
127.07552	4.6
127.11167	4.2
131.08519	13.9
133.10097	100.0
135.11652	5.7
139.11107	1.6
143.10651	30.7
145.10089	16.2
147.11667	15.2
149.13246	23.7
151.11148	8.5
155.10655	1.2
159.11662	13.5
161.13228	4.3
162.91768	1.2
163.11169	1.6
167.14275	42.2
169.12128	4.2
173.13181	2.6
181.12256	1.1
199.09244	1.2
201.16295	14.6
203.18018	1.2
219.17406	66.5
237.18398	16.0
267.32758	1.0
287.05722	1.3
288.05780	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	434.2745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01869	2.4
55.05268	2.3
55.05491	18.8
56.11205	1.9
57.03423	3.9
57.07053	3.5
62.44080	2.2
67.05483	17.5
69.03398	5.9
69.07044	17.6
71.04974	48.2
73.06535	2.8
78.54324	2.6
79.05491	17.0
81.07035	52.6
83.04958	3.9
83.08589	4.6
85.02893	32.3
85.06528	3.1
86.98460	2.2
91.05470	19.3
93.07014	48.3
95.04941	2.4
95.08577	61.7
97.02870	5.5
97.06537	4.7
99.04460	2.6
99.08061	14.2
105.07008	67.9
105.07658	3.8
107.08582	50.4
109.06503	5.4
109.10132	34.7
110.07182	2.8
117.07016	4.2
119.08573	36.6
119.47828	2.2
121.06493	5.2
121.10110	45.0
123.04387	4.2
123.11666	9.9
125.09599	27.4
127.03854	4.5
127.07531	5.7
127.11155	5.2
131.08560	19.3
133.10097	100.0
135.07977	4.9
135.11656	16.1
143.10626	29.8
145.10104	36.7
147.11664	21.5
149.09610	3.7
149.13203	25.2
151.11168	3.3
159.11642	27.5
161.13237	15.9
163.11087	2.7
167.14284	47.2
169.12283	2.4
173.13168	5.1
175.14810	3.8
177.16400	3.0
179.14220	3.0
201.16377	24.1
219.17387	73.2
223.07527	2.5
237.18388	26.2
255.16124	2.8
287.05518	4.4
288.05823	10.6
364.13989	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00304	0.8
53.03928	0.9
54.81213	1.0
55.01870	1.5
55.05509	8.5
55.05713	0.9
55.94411	0.9
57.03422	1.8
57.07052	3.9
59.04973	1.7
61.02899	1.3
66.17889	0.8
67.05484	13.0
69.03416	7.9
69.07054	9.8
71.04971	48.3
73.02874	1.4
73.06533	1.9
75.90536	0.8
77.03913	0.9
78.45795	0.8
79.05470	19.4
81.03385	1.1
81.07034	51.1
83.04960	2.1
83.08587	6.7
85.02892	24.5
85.06536	6.0
86.03239	1.2
91.03918	1.2
91.05445	23.0
93.07021	27.7
95.04944	1.7
95.08584	31.1
97.02867	6.3
97.06493	7.0
97.10141	4.4
99.08073	19.7
105.04550	0.9
105.07010	60.5
106.94052	1.1
107.08581	31.5
109.02863	1.3
109.06492	6.4
109.10126	23.0
111.08109	1.2
117.06995	4.3
119.08568	20.8
121.10114	20.8
123.08072	2.0
123.11678	8.0
125.09608	27.7
127.03915	3.8
127.07524	5.0
127.11149	5.9
131.08536	17.5
133.10101	100.0
135.11659	8.4
137.09570	1.0
137.86272	0.9
140.57652	1.1
143.10643	30.8
145.04974	1.2
145.10092	21.5
147.11665	19.4
149.13226	15.8
151.11137	7.6
153.01761	7.7
157.10078	1.2
159.11638	19.7
161.13191	7.9
163.11119	2.0
165.12704	1.1
167.14279	22.6
169.12167	4.0
173.13229	4.4
175.14891	1.1
191.17950	4.2
198.71744	0.9
201.16336	14.1
204.90565	1.0
219.13904	2.1
219.17389	68.6
237.18391	16.5
238.00673	1.1
255.19716	1.2
273.07428	4.4
287.00476	1.1
287.05432	4.8
288.05777	15.8
347.04510	1.2
388.14703	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	23.2
57.03421	3.7
57.07061	15.1
61.02906	3.3
67.05474	23.7
69.03417	8.4
69.07058	28.0
71.04975	31.9
71.27660	3.0
79.05473	14.2
81.03412	3.4
81.07037	93.0
83.04961	5.3
83.08598	21.2
85.02900	28.1
85.06541	8.2
91.05454	17.5
93.07022	57.3
95.04950	7.1
95.08590	84.3
97.02855	5.0
97.06493	14.3
97.10141	3.4
99.04440	67.7
99.08114	4.2
105.07024	34.4
107.04959	5.1
107.08578	71.6
109.06506	6.8
109.10147	67.7
109.74678	3.1
110.21080	3.7
111.08055	4.2
115.23173	3.5
119.08562	50.9
121.10130	100.0
123.08081	5.7
123.11687	60.0
125.09600	7.4
127.03860	5.0
127.07502	4.2
131.08569	6.8
133.10106	29.2
135.08080	3.4
135.11678	28.9
137.13274	4.3
139.11185	4.3
145.10109	34.2
147.11644	15.0
149.13281	7.7
159.11661	31.2
161.13202	26.9
163.11174	5.8
173.13301	4.9
175.14679	24.5
177.12682	3.5
177.16322	64.6
179.14282	13.8
181.12160	6.5
191.17958	14.2
195.13885	4.1
199.98386	3.1
201.16394	40.2
219.17374	51.6
237.18434	92.8
255.19521	48.7
288.05884	5.0
297.00815	3.6
373.65390	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	434.2744
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01848	2.9
55.05502	14.9
57.03439	2.1
57.07056	3.0
63.33080	1.6
67.05489	28.5
69.03410	10.2
69.07050	100.0
71.04974	8.6
79.05467	16.6
81.03384	3.5
81.07037	73.6
83.04972	2.4
83.08595	11.4
85.02875	17.1
91.05460	4.7
92.80035	1.8
93.07016	41.6
94.07249	1.7
95.04953	15.1
95.08578	74.7
97.02851	4.3
97.06516	24.6
97.10153	10.0
100.44671	1.8
103.14884	2.1
105.07017	12.1
107.08570	54.3
109.06501	7.6
109.10145	66.0
111.08051	4.3
111.11743	1.9
117.61411	1.6
119.08553	12.4
121.06456	2.8
121.10104	46.1
123.08043	8.4
123.11674	29.0
125.06004	2.2
125.09615	3.2
130.32098	2.1
131.08565	2.7
133.10104	9.1
135.08011	3.3
135.11667	53.0
137.09627	10.2
137.13240	15.8
139.07539	3.6
139.11121	2.5
145.04897	1.9
145.10097	7.2
147.11723	3.2
148.70930	1.9
149.13235	9.1
151.07532	2.5
153.09111	3.5
155.10645	7.7
159.11641	4.4
161.13208	2.9
163.11162	8.0
163.14737	1.9
165.05533	1.8
167.10603	2.1
169.12120	2.0
177.16354	9.9
181.12120	6.1
191.17899	59.1
201.16451	8.7
219.17357	28.6
237.18451	59.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.202
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	2.5
57.03422	0.8
61.02900	0.6
63.19292	0.4
65.03937	0.5
67.05492	11.1
69.03400	3.4
69.61847	0.5
70.06565	1.3
70.43488	0.5
71.04971	0.8
73.02893	0.9
74.09692	1.0
81.03420	0.8
83.04970	14.1
85.02885	5.9
85.06545	0.8
91.05446	0.6
95.04958	5.7
97.02850	2.7
99.05566	0.9
101.05998	15.0
103.05430	4.0
107.04931	1.2
113.05985	100.0
114.06304	0.6
115.05360	0.6
119.08569	0.6
121.02838	5.1
123.04428	0.8
125.05936	0.5
127.03869	1.2
128.06178	1.2
129.06979	9.5
131.04900	27.1
131.06985	6.2
131.08508	2.3
132.04385	0.9
137.05945	11.3
139.03879	0.9
141.06944	0.9
145.06439	2.1
147.04440	1.2
147.08090	1.1
157.06468	11.1
158.07162	0.8
159.07986	0.7
162.09108	2.4
163.03874	0.9
163.07492	6.2
163.09505	1.2
174.06831	3.7
174.08087	0.5
175.07468	1.0
177.09027	0.8
189.09076	12.4
191.10614	0.7
201.09097	1.2
205.09685	0.6
207.10175	3.7
219.10132	3.0
221.07957	2.1
233.09157	0.9
234.09518	0.9
272.11133	2.0
318.92734	0.5
378.26785	0.6
433.64697	0.5
434.15158	0.5
451.25644	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03956	1.0
57.03431	28.8
59.04996	5.9
61.02903	5.6
62.54276	1.0
65.05239	0.9
69.03417	79.6
71.04974	1.1
72.61221	1.0
73.02901	9.2
74.64538	1.0
75.04481	1.6
81.03407	5.9
85.02889	100.0
86.95626	1.0
87.04450	50.0
91.03922	1.8
92.08752	1.4
95.14225	1.0
97.02870	60.9
99.04461	4.3
103.03936	1.2
105.07022	7.7
109.02876	5.8
114.49846	1.4
115.03909	59.1
119.08549	1.6
127.03884	14.5
129.06938	1.3
133.04942	46.5
142.26726	1.1
145.04953	19.6
150.07596	5.1
158.94911	1.1
163.05968	9.3
259.08054	4.5
277.09116	1.5
285.13443	1.9
295.10156	2.4
336.25748	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02364	0.3
53.03934	0.2
55.01856	0.3
55.05500	0.7
56.05026	1.3
57.03414	1.2
61.02885	0.2
67.05482	1.2
68.99774	1.5
69.03415	1.3
69.07030	0.3
70.06561	0.4
71.04968	2.5
72.08110	0.3
73.02895	0.3
74.06056	19.9
75.04460	0.4
77.03910	0.4
79.05480	0.4
81.03399	0.4
81.07045	1.5
83.04964	0.8
85.02888	5.7
89.03865	0.2
91.05449	1.9
91.36812	0.2
92.08670	0.2
93.07028	1.0
95.04935	1.5
95.08582	0.9
97.02863	1.4
97.06526	0.3
98.06035	1.3
99.04438	0.3
102.05510	3.0
105.03382	1.5
105.07011	5.9
105.07690	0.2
107.04926	0.9
107.08562	1.3
109.02859	0.4
111.00786	2.2
111.04411	1.3
111.08059	0.2
111.75218	0.2
113.05991	0.2
116.07076	5.0
117.03353	0.3
117.06980	0.4
119.04906	0.9
119.08533	0.8
120.06551	12.2
121.10114	0.9
123.04400	100.0
124.04760	0.8
127.03902	1.1
129.05438	0.4
131.08545	1.1
133.06432	0.3
133.10046	0.3
135.04390	5.2
135.08009	0.3
135.11665	0.3
137.02321	0.3
137.05945	0.4
137.09587	0.3
139.03874	18.3
143.04866	0.2
144.06543	2.7
145.04880	0.3
145.06493	0.8
145.10123	2.2
147.04382	9.6
147.06412	0.4
151.03885	1.8
153.01804	0.3
153.05467	0.8
157.06476	0.3
159.11668	2.1
161.05925	1.1
161.13318	1.4
162.07578	6.8
163.03868	2.8
163.06276	0.2
163.07451	2.0
163.11130	1.1
170.06267	0.2
173.13246	0.3
175.07521	0.3
177.09035	0.3
181.06429	0.7
187.07443	0.2
189.05434	2.1
189.09116	0.2
191.10623	0.2
199.07491	0.4
201.16400	1.3
202.37358	0.2
203.07069	0.3
204.81143	0.2
217.16008	0.2
219.10037	0.3
219.13692	0.3
219.17336	2.1
227.06993	0.2
237.11118	0.2
237.14795	0.3
245.04305	0.4
245.07991	0.2
254.10303	0.4
255.06465	1.2
255.12221	0.3
255.15773	0.3
273.07501	21.5
291.97446	0.2
296.11243	2.1
304.14835	0.2
313.73578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	434.144
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.4
55.05502	0.6
56.05020	2.7
56.96552	0.9
57.03427	1.0
60.85265	0.4
61.02907	0.5
65.03915	0.5
67.05483	1.0
68.99773	2.9
69.03405	2.9
69.07054	0.8
70.06567	0.7
71.04968	2.3
74.06063	9.8
79.05479	0.8
81.03394	1.6
81.07027	0.8
83.04974	2.1
84.04510	0.5
85.02892	5.5
85.06527	0.6
86.09691	0.6
89.06026	3.3
91.05470	2.4
93.07018	1.9
95.04960	2.5
95.08575	0.6
97.02851	3.2
97.06416	0.4
98.06029	0.5
99.04430	0.8
102.05522	8.8
105.03381	1.9
105.07005	1.9
107.04950	0.9
107.07045	2.7
107.08581	1.7
109.02863	1.7
109.10136	0.6
111.00779	4.5
111.04461	0.8
111.17189	0.4
116.07063	3.0
117.06981	0.9
119.04882	0.8
119.08524	0.8
120.06541	0.9
121.06482	0.5
121.10114	0.9
122.14354	0.5
123.04409	100.0
124.04772	0.7
127.03885	3.0
131.08553	2.0
133.06436	0.6
133.10092	0.7
135.04399	11.8
137.09630	0.6
139.03888	23.1
145.04918	0.9
145.10127	2.3
147.04387	15.6
149.02319	8.0
149.13242	0.7
151.03883	2.6
151.07541	2.0
153.01811	5.3
153.02885	0.7
157.64380	0.4
159.11765	0.7
161.05934	2.4
162.07648	4.1
163.03879	5.3
163.07542	2.7
173.09647	0.9
173.13252	0.9
175.07510	1.1
175.14905	0.6
177.04158	0.5
177.09077	0.8
179.06975	4.0
181.06480	0.7
187.07550	0.5
189.05453	2.4
197.01187	0.9
199.07587	0.6
201.09117	0.8
201.16347	1.7
205.08614	2.0
219.10320	0.6
219.13652	0.5
219.17448	1.8
237.07593	2.6
237.11217	1.0
237.14865	4.1
253.00162	0.9
255.06502	2.3
255.12250	1.0
263.00638	0.7
270.07712	0.9
271.01175	0.9
271.07959	2.4
272.08170	2.5
273.07523	36.4
278.10379	0.8
296.11261	1.0
374.12332	0.9
384.05353	0.4
416.13443	2.7
433.23642	1.5
434.14166	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.3098
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03971	7.4
54.03564	6.4
54.58295	6.9
55.05499	50.0
57.07062	9.6
59.04992	68.3
63.03672	8.0
64.69468	9.1
67.05501	18.6
69.07056	12.5
74.50630	7.9
79.05481	14.4
81.07024	37.6
83.04955	8.6
85.06524	100.0
91.05460	56.1
93.07024	52.9
94.79524	9.3
95.04935	11.9
95.08591	42.0
105.07018	64.6
107.08590	17.3
109.06520	15.5
109.10136	37.1
117.07040	12.6
119.08543	98.4
121.10135	19.2
122.07233	9.1
123.08039	11.7
125.09618	20.7
128.06190	14.1
129.06998	14.2
131.08548	16.8
133.10115	38.7
135.11588	9.3
137.09615	36.4
142.07768	15.6
143.08549	11.6
145.10117	15.1
151.11183	19.5
156.09419	14.0
157.10092	14.0
169.10114	15.2
171.11642	14.3
183.11586	11.5
192.33093	9.0
193.09972	12.9
210.13655	10.4
289.38928	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	433.2427
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10613	1.8
53.00274	1.8
54.81237	2.0
55.05486	9.8
57.03421	13.6
57.07050	2.6
59.04985	3.4
62.25679	1.7
67.05206	1.7
67.05491	36.1
69.03406	4.0
69.07047	21.7
71.04606	3.2
71.04969	63.9
73.06516	4.8
73.64050	1.7
75.04453	15.4
79.05457	12.0
81.06593	3.0
81.07030	54.2
83.04961	3.1
83.08598	9.2
85.02419	2.7
85.02885	45.8
85.06490	2.7
89.06008	2.5
91.05442	21.5
93.07021	56.4
95.04933	34.2
95.08571	29.7
97.06484	9.1
105.07005	45.8
107.04932	2.3
107.08572	100.0
109.06497	9.4
109.10130	53.1
110.79054	2.1
111.08056	23.2
115.05419	2.4
117.06981	4.8
119.08544	39.5
121.06467	2.8
121.10102	23.7
123.04417	2.4
123.11706	4.5
125.09579	36.8
127.03839	2.3
127.11137	2.9
131.08524	19.5
133.10107	34.8
135.11658	58.4
136.63539	1.9
137.09586	3.9
143.08519	3.3
143.10594	2.1
145.06462	3.1
145.10083	26.5
147.07985	2.6
147.11656	65.0
149.09631	2.9
149.13242	4.3
153.01825	4.6
153.12701	48.7
154.31972	2.1
157.10121	4.0
159.11638	4.3
161.09512	3.7
161.13144	2.8
163.11130	3.0
165.12709	3.9
175.11078	4.6
175.14742	4.0
189.05412	2.1
189.16313	23.3
193.15807	2.3
199.14841	2.6
217.04854	3.1
217.15817	26.3
219.17514	3.3
235.16862	47.0
253.17891	60.6
271.05984	1.9
287.05414	94.8
288.05768	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	433.2346
Annotation	PA(18:3(9Z,12Z,15Z)/0:0)
Peak:m/z	Relative Intensity
55.05494	26.8
57.03430	27.4
57.07053	4.9
59.76368	2.7
67.05494	89.0
69.07049	22.2
79.05475	55.8
81.07040	100.0
83.08590	6.0
91.00276	3.6
91.05457	32.0
93.07010	69.0
95.08577	62.2
97.06514	3.1
97.76324	3.3
98.98434	96.0
105.07005	19.9
107.08576	51.5
109.10154	27.5
117.06999	8.0
119.08543	15.3
120.49506	3.4
121.10129	32.8
123.11708	6.9
131.08553	15.9
133.10109	18.2
135.11668	21.1
145.10106	14.6
147.04390	3.9
147.11710	8.0
149.13260	7.6
155.01036	6.2
159.11678	7.9
161.13168	4.6
173.02068	15.1
173.13370	5.2
217.26715	3.7
237.00861	4.7
243.21130	5.7
255.01852	5.8
261.22055	33.7
273.02725	13.8
287.05573	4.1
335.25739	88.1
335.29242	4.0
375.01260	4.0
384.91272	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.2345
Annotation	Unknow
Peak:m/z	Relative Intensity
50.68769	3.0
54.81246	3.5
55.01862	3.0
55.05497	14.6
56.71874	2.9
57.03413	12.4
64.55956	2.7
65.04632	2.7
67.05195	2.9
67.05498	58.1
69.07040	14.8
69.72041	3.4
71.26047	2.6
73.99181	2.8
76.89704	2.9
79.05471	42.7
79.26942	3.2
79.90086	3.0
80.39675	3.2
81.07029	49.5
83.08592	4.4
84.08051	3.1
88.09224	2.8
91.05448	22.6
93.07018	58.0
95.08591	40.0
98.98444	100.0
105.07018	23.2
107.08607	31.4
109.06474	4.7
109.10149	22.9
111.17075	2.9
115.03956	3.6
117.07063	3.4
119.08533	17.7
121.10085	22.0
123.11662	2.9
131.08557	14.0
133.10089	15.9
135.11667	14.7
142.83582	3.7
145.10083	7.5
147.11687	5.7
149.13248	7.5
151.07475	13.2
155.00984	19.1
159.11624	5.3
161.13161	6.1
161.85973	3.1
163.14706	3.3
169.08504	4.0
173.13266	5.1
187.81685	3.4
189.04097	3.4
243.21072	12.6
261.22195	35.0
306.69901	3.6
312.69907	3.2
335.25726	33.2
343.12088	3.5
415.35556	19.9
427.03320	3.2
433.36523	13.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.6
53.35069	0.2
54.00600	0.2
55.05497	1.4
57.07051	1.2
65.50337	0.3
67.05472	1.1
69.07044	2.1
71.08614	0.4
74.89588	0.3
79.05470	1.4
81.07040	3.5
83.04961	0.5
83.08595	0.6
91.05457	1.2
91.44652	0.3
92.02600	0.3
93.07009	1.6
94.04182	0.4
95.04935	1.8
95.08589	2.4
97.06502	0.3
97.10120	0.3
105.03330	0.4
105.06994	1.1
107.04939	0.3
107.08589	0.6
109.06499	3.5
109.10092	1.2
119.08562	1.4
122.03628	4.8
123.11731	0.4
125.05954	1.9
133.10133	0.4
135.04379	1.3
135.05455	0.4
135.11639	0.4
137.05959	1.1
145.10091	0.7
165.05438	100.0
168.04085	2.6
175.11104	0.4
397.30823	0.3
415.31833	0.7
433.33075	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1489
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.2
54.81326	0.1
55.01847	0.2
55.05497	0.2
57.67851	0.1
65.03913	0.5
67.05479	0.8
68.99769	0.5
69.03397	0.3
69.07041	0.2
70.17480	0.1
71.04983	0.4
73.02874	0.1
79.05463	0.2
81.07023	0.6
82.14246	0.1
83.04951	0.1
85.02865	0.8
91.05446	0.7
93.07021	0.2
95.04955	1.4
95.08569	0.7
97.02844	0.2
97.06508	0.1
105.07007	0.5
107.08559	0.6
108.02062	1.2
109.06516	0.2
109.10133	0.5
111.04414	0.6
119.04911	1.3
119.08547	0.7
121.02821	0.3
121.03954	0.3
121.10095	0.6
121.84544	0.1
123.04376	0.7
123.08049	0.1
125.09611	0.4
127.07475	0.1
131.08560	0.5
133.06302	0.1
133.10085	0.5
135.07991	0.1
136.01599	0.2
142.07684	0.1
145.10028	0.2
147.04373	3.8
147.11664	0.2
151.03871	100.0
152.04251	0.2
154.02568	0.8
157.10071	0.3
159.11661	0.5
161.13246	0.1
175.11038	0.2
199.14799	0.2
213.05547	0.2
217.15793	1.0
218.16112	0.2
235.16856	0.5
253.08572	0.2
253.18068	0.2
256.07306	0.8
271.09573	40.4
272.09888	0.2
314.71350	0.1
433.14545	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1336
Annotation	Tachiogroside B
Peak:m/z	Relative Intensity
53.03927	0.9
54.81219	0.2
55.01854	0.2
57.03412	0.8
61.02912	0.4
67.05484	0.3
67.59988	0.2
69.03409	2.6
70.06529	0.2
71.04972	0.8
73.02871	0.5
75.19734	0.2
79.05466	0.3
81.03387	3.1
81.07019	0.5
83.04958	0.2
85.02881	8.9
86.09681	0.4
87.04455	0.3
89.06010	0.3
89.13312	0.2
91.05470	0.5
95.04940	0.4
97.02868	4.6
97.06480	0.2
99.04435	5.6
103.03922	4.8
105.06998	0.5
105.27789	0.2
107.04932	1.2
107.08559	0.8
109.02852	3.5
109.10132	0.5
110.22142	0.2
119.08575	0.5
120.08101	0.2
121.10087	0.2
124.07602	0.3
127.03884	100.0
128.04192	0.2
131.08513	0.3
133.06458	0.2
133.10094	0.3
139.93224	0.2
142.02605	0.2
143.08574	0.4
145.04935	2.8
149.02299	0.5
157.10019	0.3
159.11652	0.2
161.43451	0.2
163.05977	0.5
167.07016	0.5
181.04872	2.1
187.05998	0.3
193.08571	0.3
199.14708	0.3
217.15996	0.3
221.08083	0.3
271.08008	0.3
333.09711	0.2
403.13574	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1491
Annotation	Strobopinin 7-galactoside
Peak:m/z	Relative Intensity
51.02349	0.1
51.35816	0.1
55.01864	0.2
59.69840	0.1
65.03916	0.6
67.05489	0.6
68.99760	0.8
69.03408	0.6
69.07055	0.2
69.93958	0.1
71.04980	0.2
71.41156	0.1
75.84199	0.1
81.03353	0.1
81.07021	0.7
85.02875	0.5
85.06504	0.2
91.05454	0.9
93.07047	0.3
95.04938	1.3
95.08591	0.3
97.06482	0.2
105.06997	0.7
107.04910	0.1
107.08562	0.8
108.02099	1.2
109.06480	0.2
109.10131	0.6
111.04435	0.5
119.04900	1.3
119.08557	0.8
121.02818	0.2
121.10119	0.6
123.04392	0.8
125.09618	0.3
125.61985	0.1
127.11207	0.1
131.08557	0.2
133.10144	0.6
135.11659	0.2
143.08537	0.1
145.10155	0.2
147.04398	3.6
147.11684	0.2
149.09509	0.2
151.03880	100.0
152.04237	0.3
154.02579	0.9
155.94778	0.1
157.10066	0.1
159.11674	0.2
199.14822	0.2
200.15189	0.2
217.15826	0.8
225.09224	0.2
235.16866	0.6
253.18007	0.2
256.07217	0.8
271.09592	38.0
272.09979	0.2
426.75912	0.2
433.14612	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55296	0.3
55.01836	0.6
56.96541	0.5
58.83180	0.4
59.01342	0.4
67.05478	0.6
67.54541	0.4
68.99771	0.5
73.88728	0.4
79.05442	0.5
81.07040	1.0
82.33142	0.4
85.02910	0.4
91.05422	1.8
92.99718	0.8
93.06989	0.4
94.04140	0.8
95.01279	2.2
95.08553	0.7
103.05427	0.6
105.06963	0.8
107.04938	14.9
107.08578	0.6
109.02840	0.9
109.06469	0.5
113.02329	1.8
115.05424	0.4
117.06905	0.5
119.04871	0.8
121.02849	4.3
121.06458	0.4
122.03594	2.9
123.00746	0.4
127.03864	1.8
128.06168	3.1
129.06955	1.6
131.03394	3.3
131.04900	4.9
131.08513	0.5
133.02789	0.9
133.06448	0.5
137.05949	32.7
141.06915	0.8
143.04869	0.6
143.08534	0.8
145.06458	3.2
152.06203	0.4
153.06915	0.9
155.05989	0.7
157.06465	12.8
159.04344	0.7
161.02267	1.9
161.05962	0.9
165.06914	0.9
169.02792	1.8
169.06413	1.9
171.04352	6.7
171.07990	2.2
173.05959	3.5
179.03317	3.8
181.01266	2.0
181.06438	2.4
183.08015	0.4
187.07468	3.7
191.03349	2.1
197.05959	0.8
199.07553	4.0
201.05428	100.0
203.03363	0.7
209.06059	0.6
211.07578	0.5
212.67422	0.4
214.35558	0.4
215.03433	0.8
225.05449	3.2
227.07018	3.6
237.00793	0.5
237.05409	2.1
238.06186	0.4
238.75113	0.4
249.05434	1.6
255.01923	1.5
255.06491	7.6
265.04901	2.5
273.02835	1.7
283.05939	63.2
287.05267	0.5
291.06482	7.0
297.07584	5.1
309.07477	11.8
339.08423	2.0
348.09158	0.4
355.59036	0.4
433.12732	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65421	1.3
56.96561	3.5
63.92429	1.4
66.66726	1.5
71.04967	2.5
81.07019	3.9
85.02876	1.8
91.05504	2.1
93.07005	2.7
95.08598	2.7
102.02724	1.5
105.07014	3.7
107.04929	10.5
107.08573	10.7
119.08511	15.8
119.09248	1.6
121.02829	2.8
122.03622	2.1
125.88847	1.5
128.06183	3.0
129.07005	1.9
131.04956	1.8
135.08041	6.5
137.05954	31.1
138.38921	1.6
145.06477	2.7
145.10085	1.6
147.04327	1.9
150.48039	1.7
157.06456	13.5
169.06438	2.1
171.04373	4.0
173.05930	2.1
181.06448	2.5
199.07332	2.4
201.05424	100.0
225.05344	2.1
227.07011	6.8
237.00600	3.5
255.01736	7.5
255.06537	7.5
273.02740	10.3
283.05927	53.9
287.05521	3.8
297.07355	3.8
309.07428	2.5
325.64294	1.6
378.11343	1.7
378.16635	1.8
433.12729	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	433.1127
Annotation	Pelargonidin 3-O-glucoside
Peak:m/z	Relative Intensity
53.37660	0.3
55.05500	0.7
56.86903	0.3
56.96563	0.3
57.03413	0.5
59.04976	0.3
59.37798	0.3
61.02909	0.4
67.05479	1.6
67.27837	0.3
68.99760	0.4
69.03411	2.8
69.07047	2.1
71.04965	0.6
79.05465	1.7
80.45786	0.3
80.77874	0.4
81.03400	0.5
81.07033	3.7
83.04960	0.5
85.02889	3.1
85.06513	0.7
91.05430	1.9
91.83650	0.3
93.07014	4.4
95.04934	2.5
95.08576	2.7
97.02855	0.9
97.06514	1.6
99.04449	0.6
105.07012	3.5
107.04929	1.7
107.08578	4.2
109.06485	0.8
109.10110	2.2
111.08083	0.6
114.51126	0.3
117.06987	0.5
119.04913	2.7
119.08557	3.0
121.02852	0.7
121.06463	0.7
121.10106	2.3
123.04378	0.5
123.08060	0.6
123.11700	0.5
125.09615	0.8
128.99867	0.4
129.07010	0.4
131.08514	1.5
133.10078	1.9
135.08020	0.8
135.11784	0.4
136.81842	0.4
137.02324	2.3
142.07666	0.5
143.08549	0.9
147.08000	0.6
147.11641	2.3
149.09589	0.6
151.03886	11.7
153.01791	6.5
157.10074	1.7
159.11652	0.7
161.09726	0.5
163.03880	0.4
165.12791	0.4
167.10597	0.6
171.02849	0.8
175.11166	0.8
175.14799	0.7
189.16331	0.7
197.06050	0.5
199.11296	0.5
199.14796	1.7
207.02908	0.5
215.06937	1.5
217.04889	0.5
217.12186	0.5
217.15880	1.9
225.05469	0.7
235.13214	0.6
235.16882	2.2
253.14183	0.6
253.18001	2.3
253.21654	0.5
255.01810	0.5
271.05951	100.0
271.09341	3.9
287.05469	0.5
371.11328	0.6
389.12012	0.4
433.11121	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
50.70959	0.4
52.37034	0.4
55.05486	0.5
57.03422	6.2
71.04977	31.0
73.02892	0.8
75.04450	0.8
85.02888	26.1
87.04437	0.5
121.02827	4.1
129.05424	3.0
153.01788	6.3
157.06488	0.7
165.01823	3.1
183.42117	0.5
213.05412	1.1
231.06641	0.6
241.04848	0.8
254.34537	0.6
259.06052	0.6
287.05432	100.0
288.05823	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.113
Annotation	Kaempferol-3-Rhamnoside
Peak:m/z	Relative Intensity
51.54243	0.3
53.03938	0.3
55.01857	0.3
55.05498	1.4
56.96552	0.3
57.03424	5.9
61.02909	0.4
66.91203	0.2
67.05483	1.7
68.99789	0.3
69.03410	0.6
69.07054	0.4
71.04974	25.2
73.02892	0.7
75.04455	2.8
79.05479	1.7
81.03413	0.3
81.07027	2.0
81.31622	0.3
83.04945	1.5
85.02888	23.9
87.04453	0.3
91.05443	0.6
93.07017	2.0
95.04955	0.4
95.08572	1.8
101.06007	0.3
105.07016	1.4
107.04910	1.1
107.08564	1.1
109.02847	0.3
109.10134	0.5
111.00787	0.6
111.04427	0.4
119.08559	1.1
121.02853	3.6
121.10137	0.6
129.05450	3.4
130.07880	0.4
131.08531	0.6
133.02769	0.3
133.10121	0.6
135.04372	0.3
135.11766	0.4
137.02290	0.8
139.11157	0.4
143.08528	0.4
147.04408	0.5
147.08156	0.3
147.11653	0.4
153.01807	5.8
155.03423	0.3
157.06480	0.5
157.10107	0.5
161.09660	0.4
161.13271	0.6
165.01732	2.5
167.06998	0.4
171.04346	0.3
181.04868	0.3
183.02870	2.0
213.05438	1.7
217.15782	1.6
231.06477	0.4
235.13341	0.3
235.16891	0.6
241.04877	1.7
253.18011	0.5
255.01556	0.5
258.05145	1.2
259.06058	0.5
287.05432	100.0
288.05771	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1126
Annotation	Sophoricoside
Peak:m/z	Relative Intensity
53.03927	0.3
53.14164	0.2
55.01851	0.4
55.05503	0.4
56.96552	0.2
57.03426	0.8
59.04982	0.3
61.02891	0.4
67.01826	0.2
67.05476	0.8
68.99776	0.8
69.03414	2.2
69.07037	0.8
70.06548	0.2
71.04970	0.4
71.10776	0.2
73.02888	0.4
75.20349	0.2
76.56651	0.2
77.70610	0.2
79.05467	1.6
81.03405	0.3
81.07056	1.3
82.99279	0.2
83.04961	0.3
85.02889	4.3
85.06525	0.3
86.06026	0.2
86.09675	0.5
90.88579	0.2
91.05453	1.6
92.05763	0.2
93.07008	1.7
95.04945	0.3
95.08582	1.0
97.02860	1.2
97.06516	0.3
99.04408	0.3
105.07008	2.4
106.07345	0.4
107.04924	1.0
107.08566	1.2
109.02860	0.3
109.10132	0.2
110.54053	0.2
117.07003	1.4
119.04897	2.7
119.08588	1.4
121.02882	1.0
121.06434	0.3
121.10130	1.2
123.04394	0.7
127.03862	1.0
129.01804	0.2
129.06940	0.3
131.08530	3.1
132.08852	1.0
133.06442	0.3
133.10115	1.0
137.09567	0.2
139.03912	0.2
142.07704	0.2
143.08490	0.4
144.09251	0.2
145.02841	0.8
147.11647	0.4
148.61224	0.2
149.09619	0.3
153.01802	6.8
154.08571	0.9
155.03300	0.3
156.09389	0.2
157.10130	1.5
159.11658	6.2
160.11954	1.8
163.03944	0.4
169.10207	0.2
171.02847	1.0
171.11530	0.3
173.13216	0.9
175.03897	0.2
175.14790	0.3
183.02917	0.4
199.14795	1.5
200.15144	0.5
203.07014	1.2
204.07269	0.3
217.15808	1.3
218.16252	0.3
225.05443	0.3
235.09558	0.8
235.16884	0.4
236.10072	0.3
247.05833	0.2
253.10880	0.2
253.18002	0.2
271.05945	100.0
272.06284	0.8
273.03076	0.3
347.24274	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	433.1124
Annotation	Apigenin 4'-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01866	1.2
55.05523	0.8
57.03423	0.9
58.31222	0.6
61.02911	1.2
67.05509	1.1
69.03422	3.8
69.36362	0.8
71.04969	3.4
79.05459	0.9
81.03392	0.9
81.07034	1.9
85.02892	6.0
91.05453	1.3
92.63476	0.8
93.06979	0.9
95.04967	1.2
95.08595	1.1
97.02854	1.1
105.07018	1.3
107.08599	1.5
109.02850	1.7
109.10168	0.9
119.04932	3.8
119.08583	1.9
121.02854	11.7
121.06424	0.9
121.10098	1.0
123.04358	1.6
123.11668	1.2
131.08485	1.1
133.10130	1.6
135.04324	1.2
137.02286	1.5
139.03877	1.1
141.01794	1.0
145.02780	3.5
157.10193	1.2
159.11708	0.8
163.03860	4.0
165.01778	13.6
165.24681	0.9
167.03395	3.6
177.01823	1.7
181.04959	0.9
183.02814	7.1
185.06085	0.8
187.03824	1.6
195.02855	1.4
205.04958	1.4
217.04866	0.9
217.15823	1.1
229.05006	1.6
233.43283	0.8
242.05717	1.0
243.06682	0.9
255.06346	1.4
256.07178	1.4
267.06482	11.3
270.05170	1.8
271.05954	53.1
271.09125	1.9
281.07962	8.4
283.05945	100.0
284.06650	18.9
284.09756	1.0
285.07724	0.9
287.05444	1.3
287.19882	0.9
295.05939	12.8
295.09042	1.2
297.07449	6.4
305.08038	3.4
307.05936	3.0
308.06671	1.7
309.04044	1.9
309.07458	18.4
313.06992	69.3
321.07501	1.4
323.09027	16.6
333.07462	2.6
337.06967	27.8
349.07086	10.7
351.08417	4.1
357.49341	0.9
361.06900	7.8
367.08005	15.8
379.08041	13.6
397.09097	13.9
415.10260	13.7
433.11200	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	432.3831
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93814	1.3
55.05499	2.4
67.05492	8.5
69.07043	9.3
71.95147	1.4
79.05464	3.6
81.07037	18.3
83.08617	2.9
89.37804	1.2
91.05458	3.6
93.07019	13.2
95.08585	21.2
99.57229	1.3
105.07005	9.7
107.04929	3.4
107.08608	16.1
109.10139	10.4
116.64503	1.5
119.08559	8.1
121.10126	10.2
122.07265	7.5
123.08060	10.5
133.10114	9.5
135.08049	2.8
135.11694	7.0
137.06001	2.0
145.10138	2.7
147.11685	6.2
149.13222	3.3
150.06743	20.7
151.07524	100.0
152.08205	7.1
161.13309	1.8
163.11208	2.4
164.08263	1.7
175.07501	1.7
175.14694	1.8
191.10617	15.2
203.17931	1.8
377.45502	1.9
414.29730	2.4
414.34875	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.3834
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	14.8
67.05495	36.3
69.07046	39.6
70.25543	5.7
71.04984	8.3
74.35544	5.2
74.80120	4.8
76.87718	5.7
76.95923	5.4
79.05487	28.0
80.59784	5.2
81.07044	91.5
83.08617	8.9
91.05452	29.0
91.25169	6.0
91.56429	5.6
92.08752	10.8
93.07019	73.3
95.08596	72.3
103.41007	6.0
105.07022	40.0
107.08573	100.0
109.10159	78.9
119.08565	43.8
121.10156	54.2
123.11646	14.0
131.08513	8.6
133.10126	37.9
135.11693	43.2
145.10083	24.5
147.11668	11.7
149.13206	10.0
159.11688	10.4
161.13197	15.1
163.14717	6.1
175.14839	7.5
187.14867	6.9
201.14467	6.3
215.18013	12.0
453.46600	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	432.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03411	0.7
69.03401	1.4
72.30698	0.7
85.02875	1.1
87.04442	5.0
89.06008	100.0
91.05402	1.0
97.02843	1.5
105.06978	0.8
107.07027	0.8
107.08608	0.8
115.03888	1.3
119.88269	0.8
133.08568	33.3
145.90764	1.0
177.11189	14.4
221.13724	3.3
235.09634	1.6
241.35425	0.8
265.16498	0.8
283.17230	1.5
330.56470	0.8
371.22302	1.1
415.25232	29.9
432.27792	1.5
438.99734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78428	0.5
53.03923	0.8
54.32152	0.6
54.73948	0.5
55.01865	0.9
55.05499	2.8
57.03426	1.1
57.07062	1.0
59.84644	0.5
61.02903	1.1
67.05480	4.6
69.03418	3.3
69.07056	10.5
73.02891	1.0
79.05461	6.2
81.07042	13.3
83.04959	0.7
83.08606	3.8
85.02885	12.9
91.05451	7.5
93.07026	10.8
95.08583	13.5
97.02865	3.1
97.10133	0.7
105.06338	1.2
105.07008	14.9
107.08567	11.8
109.02854	1.0
109.06496	0.9
109.10147	9.5
111.04424	4.9
111.11731	0.9
119.08561	11.3
121.10121	3.8
123.04431	1.3
123.11686	3.4
125.05961	3.9
127.03875	0.9
127.07592	0.7
128.21318	0.6
131.08563	1.2
132.43266	0.7
133.06493	1.1
133.10098	37.3
135.11665	1.1
137.05942	2.6
139.07515	2.7
143.08592	1.8
143.09555	0.8
145.04958	0.9
147.08047	2.8
147.11655	10.0
149.13229	7.1
151.07510	8.9
157.10088	2.6
159.11671	1.3
161.09604	10.6
161.13220	3.2
163.11076	0.8
165.09105	3.8
175.11189	1.4
175.15019	0.8
179.10622	16.9
180.08719	0.8
189.16344	22.0
193.12184	1.6
199.14821	1.6
217.15826	13.3
235.16869	100.0
235.95999	0.7
236.17299	1.4
251.68828	0.7
253.17896	19.6
287.05338	3.5
287.14023	0.7
288.05856	1.5
379.21075	0.8
458.37650	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80794	0.9
53.00297	1.0
53.03925	1.1
55.01863	1.4
55.05500	22.3
56.96545	1.5
57.03413	1.5
57.07050	6.0
59.04995	1.0
61.02906	1.3
67.05489	15.6
69.03412	2.5
69.07050	76.2
70.07818	1.0
71.04959	5.9
79.05470	22.6
81.03410	1.5
81.07034	91.8
83.08590	6.8
83.71094	1.0
85.02506	1.2
85.02889	18.7
85.06501	1.3
87.04434	2.5
91.05450	14.2
93.06413	1.3
93.07017	68.5
95.04942	6.5
95.08582	83.9
97.02847	5.1
97.06512	7.2
97.10126	5.5
105.07005	35.9
107.04933	4.0
107.08570	100.0
109.06474	8.5
109.10140	53.1
111.08092	2.5
111.11692	42.0
119.08557	31.2
121.06443	4.2
121.10116	28.2
123.08013	1.6
123.11648	4.2
125.05961	27.3
125.09599	6.4
127.03882	2.1
131.08524	5.4
133.10098	58.6
135.08057	1.2
135.11664	55.0
137.05954	2.1
137.09564	6.0
139.07541	10.3
142.61543	1.1
143.08572	4.3
145.10077	5.6
147.08018	4.7
147.11659	24.8
149.09605	1.7
149.13216	10.6
151.07576	1.4
151.11147	4.1
153.09087	2.7
153.12738	12.2
157.10097	9.3
159.11632	5.0
161.09586	22.3
161.13193	5.3
165.09088	5.0
173.13229	1.9
175.11150	4.8
175.14822	5.1
179.10620	30.2
189.16330	56.8
191.17908	26.7
199.14812	10.1
207.17404	4.2
217.15831	33.0
234.46008	1.1
235.16872	41.1
253.17912	43.9
273.02728	1.8
277.67529	1.1
287.05307	1.9
353.03699	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57231	0.7
52.63288	0.7
53.03949	1.3
55.05495	4.5
57.03424	1.2
57.07063	1.4
61.02913	1.4
63.86590	0.9
67.05485	5.8
69.03411	3.7
69.07047	9.3
71.04963	4.6
73.02900	1.6
74.51431	0.9
79.05476	5.5
81.03406	1.3
81.07036	15.6
83.05002	0.9
83.08591	1.6
85.02880	6.9
85.06495	0.9
91.03934	1.5
91.05459	8.3
93.07022	55.6
95.04955	1.4
95.08585	14.9
97.02840	3.7
97.06512	1.4
105.07016	34.6
107.04983	1.1
107.08569	38.6
109.06564	1.0
109.10118	7.7
111.04375	1.0
119.08567	17.1
121.08216	0.9
121.10110	27.1
123.11736	1.0
125.09572	1.1
127.03916	1.0
133.10104	49.9
135.11655	5.4
137.13275	1.2
145.10100	2.1
146.81001	1.0
147.11667	59.6
148.11951	1.0
149.13234	100.0
151.11154	19.9
159.11670	1.0
161.13240	3.5
175.14746	1.2
189.16351	86.3
199.14807	1.5
207.17413	94.3
217.15877	3.9
235.16940	7.2
253.17921	9.8
287.05304	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.2588
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.8
54.81362	1.7
55.05500	18.8
56.65738	1.6
57.07047	8.8
58.35266	1.8
61.02892	2.0
67.05489	25.1
69.03409	12.5
69.07056	31.3
71.04967	4.3
79.05466	21.6
79.20004	2.0
81.07038	71.9
83.08581	8.1
85.02888	19.1
91.05460	27.4
93.07025	72.8
95.04913	3.9
95.08583	67.4
97.02856	4.5
97.06494	2.4
97.10165	3.5
103.60002	2.1
105.07014	61.9
107.04957	2.2
107.08575	78.1
109.06490	5.0
109.07204	1.8
109.10142	43.1
111.08055	2.5
111.11701	2.2
119.08553	73.6
121.10099	25.9
123.08048	2.4
123.11696	9.5
125.06004	2.9
125.09637	2.4
127.03895	1.9
131.08559	2.6
133.10106	92.0
135.11673	51.3
137.06010	4.1
139.07513	9.5
143.08530	4.6
145.10097	8.1
147.08020	3.3
147.11667	46.0
149.09554	2.3
149.13266	3.0
151.07520	3.1
153.09109	2.8
157.10136	12.1
159.11636	3.2
161.09549	14.1
161.13231	24.6
173.13214	10.1
175.11159	9.9
175.14777	11.6
179.10596	18.0
189.14616	3.4
189.16351	100.0
193.12155	4.0
199.14771	3.6
217.15822	30.4
235.16881	52.4
253.14366	2.0
253.17793	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	432.2225
Annotation	Unknow
Peak:m/z	Relative Intensity
53.74368	0.1
57.21404	0.1
61.02901	0.2
69.03407	0.2
69.07061	1.1
73.06540	0.1
79.05457	0.4
84.04467	0.2
85.02897	1.0
86.09677	0.3
87.08081	0.7
89.06020	0.2
91.05454	0.3
92.09272	0.3
93.07023	0.9
97.02884	0.2
103.05450	4.6
107.04943	2.5
120.08079	100.0
121.08385	0.4
131.04895	2.8
149.05989	1.6
166.08600	26.5
237.02905	0.2
448.37653	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.186
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
55.01860	5.2
55.05503	6.6
57.03425	6.0
57.07047	0.7
57.61810	0.9
61.02903	3.9
61.34620	0.8
67.05490	4.3
68.62779	0.8
68.99772	13.2
69.03414	12.4
69.07040	4.2
71.01355	0.7
71.04987	3.1
72.68261	0.8
73.02895	1.2
75.62498	0.8
79.05469	5.3
81.03388	3.8
81.07034	4.9
83.04969	5.8
85.02889	27.8
85.06525	1.1
86.09740	1.1
87.04472	1.8
91.05450	9.3
92.09383	1.1
93.07005	6.9
95.04941	5.5
95.08604	3.8
97.02873	8.4
97.06515	4.1
99.04404	1.0
105.01839	1.0
105.06998	17.8
107.04924	4.9
107.08563	7.8
108.92452	1.0
109.02850	4.9
109.06506	2.1
109.10072	1.0
111.04454	1.2
112.01578	1.1
115.03957	1.2
115.05419	1.2
117.06990	5.0
119.04897	1.0
119.08554	15.3
121.06539	1.0
121.10136	3.6
123.04425	7.6
123.08015	2.0
125.02307	2.1
125.09587	1.6
127.00223	0.9
127.03871	9.9
128.06197	3.2
128.45859	0.9
129.06982	25.2
130.60529	0.9
131.04919	1.1
131.08516	7.0
132.05684	1.2
133.06476	9.0
133.10136	7.3
137.05988	0.9
139.03883	3.4
139.11147	1.8
139.60809	0.9
141.01820	1.2
142.07758	1.2
143.08528	6.0
145.04892	1.1
145.06525	1.1
145.10078	3.6
147.04396	5.5
147.08037	14.8
147.11656	2.0
149.02354	1.0
149.09639	1.5
151.03809	1.3
153.05467	4.6
155.03363	9.9
156.04129	4.2
157.06464	17.5
157.10083	8.9
159.11610	4.2
160.05206	1.8
161.09599	4.7
163.03789	1.3
167.03413	1.1
168.00504	10.1
168.04169	1.0
169.04918	17.2
171.11641	1.5
173.13193	1.4
175.03897	12.8
175.07501	26.4
175.14774	1.3
177.05501	1.6
178.02640	2.1
179.03282	3.1
179.07040	1.1
179.10544	0.9
183.02846	79.9
185.05959	1.7
186.01546	18.1
189.16348	1.9
193.04941	4.5
197.04424	3.9
199.14790	10.2
203.06992	100.0
205.04965	2.1
207.10078	1.4
217.08571	5.0
217.15849	17.2
220.07260	9.9
234.11938	1.0
235.09604	85.9
235.16855	1.9
253.10680	27.7
253.14313	2.1
287.11005	1.0
299.61615	1.0
377.84778	0.9
410.52582	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	432.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.3
55.05498	0.3
57.03417	0.7
63.04400	0.3
65.03941	0.4
69.03400	1.8
70.06551	0.8
70.91555	0.3
71.04970	0.4
72.08120	2.0
74.06021	0.5
79.05479	0.6
81.03390	0.8
81.07021	0.9
84.08108	0.6
85.02879	3.2
86.09669	2.5
91.05466	0.7
92.61552	0.4
93.41641	0.4
95.04909	0.6
95.08575	0.7
97.02855	0.9
98.97524	0.7
105.06989	1.7
107.05022	0.7
107.08559	0.8
110.07064	0.5
116.98618	0.5
119.04896	0.5
119.08604	1.8
121.06461	0.4
123.04422	0.9
127.03896	0.7
131.08542	1.6
133.06520	0.4
133.10075	0.5
134.65857	0.4
137.05884	0.4
139.03844	0.4
145.10052	0.7
147.04333	0.5
147.08072	0.6
148.03893	5.8
149.04689	1.3
158.99608	0.5
159.11685	0.4
160.03917	2.2
175.07561	0.6
176.03409	7.1
177.04164	26.3
178.04910	2.5
187.07480	0.7
189.12720	0.4
191.07060	0.5
199.14777	0.5
201.09050	0.6
224.07117	0.4
228.06508	0.7
242.08051	0.9
252.06599	2.2
270.07541	100.0
271.07907	0.7
432.22528	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.3795
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.5
56.91417	0.3
57.07061	3.3
60.66319	0.3
67.05476	2.2
69.07024	0.3
71.08591	1.5
79.05436	0.3
81.07018	1.8
83.04903	0.5
83.81532	0.3
85.10172	0.6
91.05455	0.6
93.07046	1.0
93.13877	0.3
95.08562	1.6
105.06989	0.4
107.08549	0.7
109.10129	5.7
117.07008	0.4
119.08529	2.7
121.06476	10.1
121.10128	0.8
122.07262	0.7
122.10482	0.4
123.08063	0.4
131.08524	0.4
135.07999	1.7
136.08818	12.2
137.09593	16.1
149.05968	0.6
149.09607	3.5
150.09932	0.6
151.07591	0.4
152.08322	0.7
154.80165	0.3
159.11693	0.7
163.07365	0.4
163.11154	2.7
164.08296	28.4
164.11433	0.7
165.09073	100.0
166.09404	5.3
176.11449	0.4
177.09105	2.9
177.12630	0.4
183.24738	0.3
185.42859	0.3
187.11139	0.6
190.09770	0.7
191.10599	1.8
205.12221	6.8
206.12604	0.6
219.13766	0.4
412.70734	0.3
429.37143	0.5
430.37906	51.0
431.38315	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	431.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01859	1.0
55.05507	4.0
57.03428	11.7
57.62169	0.6
59.04974	1.0
61.02909	3.2
67.05486	0.8
69.03413	6.0
71.01355	0.9
71.04974	34.0
73.02901	6.5
75.04457	9.4
79.05488	1.0
81.03422	2.5
81.07046	0.7
83.04960	7.5
85.02889	100.0
86.09692	3.5
87.04449	2.4
91.05458	1.2
92.08673	0.7
93.07030	0.9
95.04958	0.8
95.08632	0.7
97.02872	8.3
97.06522	1.0
98.97603	0.9
99.04445	2.4
101.05982	0.7
105.07021	7.2
107.04905	1.1
107.08595	1.0
109.02884	3.2
109.10134	0.9
111.04424	3.1
116.98569	0.7
117.06909	0.7
118.57475	0.6
119.08575	1.4
121.06434	0.8
121.10112	2.3
123.04429	1.0
127.03880	5.6
129.05460	16.9
131.08484	0.7
131.50148	0.6
133.10138	0.8
137.05948	2.7
137.09557	0.7
138.06296	0.9
145.04865	4.3
145.10147	0.8
147.06500	12.3
159.07990	0.7
163.05984	1.0
163.19904	0.7
165.07555	0.6
204.29872	0.7
221.15393	1.2
251.16403	0.8
276.32150	0.7
309.11816	1.5
389.14368	0.9
431.22791	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.93009	0.9
53.03930	1.3
55.01859	1.8
55.05492	5.8
57.03423	1.8
57.07048	1.6
59.04990	1.4
61.02903	3.4
65.34049	1.0
67.05498	13.6
67.50766	0.9
67.70798	0.9
69.03431	7.4
69.07051	9.4
71.04951	2.1
73.02896	1.3
77.07198	0.9
79.05467	13.0
81.03369	2.0
81.06593	1.3
81.07037	25.1
83.04959	1.9
83.08609	1.2
85.02886	24.3
85.06530	1.6
91.05460	21.8
93.07023	17.6
95.04928	6.0
95.08000	1.9
95.08582	44.0
97.02859	6.9
97.06491	5.1
105.07009	79.0
107.04955	1.8
107.08578	21.0
109.02840	1.5
109.06500	7.7
109.10149	13.1
111.04446	1.8
117.06989	11.0
119.08557	59.3
121.06483	5.3
121.10150	9.3
123.08003	1.4
123.11635	1.6
125.05982	2.4
127.03880	2.4
127.07529	4.1
129.06960	2.3
130.07738	1.3
131.04915	1.9
131.08548	77.4
133.06444	1.3
133.10107	57.6
135.04388	4.5
135.08015	11.6
135.11676	1.1
137.05948	2.3
137.09605	8.2
139.07529	1.5
141.06923	0.8
143.08514	9.5
145.04895	1.7
145.06479	5.4
145.10107	69.0
147.07996	3.8
147.11665	14.0
149.06001	8.0
149.09618	5.6
151.07500	2.0
155.08516	6.7
156.09306	19.8
157.10097	12.6
158.10881	3.7
159.08031	18.8
159.11667	22.2
160.05348	1.0
161.13199	6.5
163.07480	9.4
169.10095	4.3
169.83821	0.9
171.11658	70.5
172.12267	1.4
173.09619	11.0
173.13220	46.8
175.11212	1.6
177.09073	27.7
180.08624	2.1
182.10915	4.7
187.11185	2.3
187.14789	51.8
189.12720	4.4
189.16463	4.0
191.06995	1.5
191.10654	1.9
197.13196	14.8
200.12103	1.2
205.15872	2.3
215.14281	47.9
223.17009	1.0
233.11604	6.4
233.15320	100.0
251.16351	2.3
268.06931	1.2
399.81271	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03921	1.2
54.83814	1.0
55.01851	1.3
55.05498	2.0
57.03423	1.1
57.07060	1.5
61.02904	1.8
67.05479	7.7
67.91755	1.0
69.03414	4.6
69.07054	11.0
69.71557	0.9
70.82719	0.9
71.04971	1.7
71.98631	1.0
79.05470	7.0
81.03415	1.9
81.07044	17.3
83.08599	2.2
83.64634	0.9
85.02887	17.2
91.04951	1.7
91.05464	30.3
92.09278	1.5
93.07020	15.5
95.08574	17.4
97.02858	5.5
105.07016	50.5
107.04926	1.7
107.08569	27.2
109.02888	1.1
109.10128	9.4
111.08076	1.8
116.06224	1.5
117.07001	18.4
119.08566	17.9
121.06461	2.1
121.10145	8.1
123.04379	1.5
125.09599	2.1
127.03927	1.9
129.06993	2.2
130.45345	1.0
131.08546	100.0
133.06528	1.0
133.10104	25.7
135.04356	2.3
135.08003	2.0
135.11734	1.2
137.05928	1.3
139.07487	5.4
143.08511	3.9
145.04826	1.1
145.06456	1.1
145.10101	39.9
147.11696	7.4
149.05980	4.2
149.09593	3.9
151.07513	4.1
153.09103	9.0
155.08505	1.2
157.10051	1.3
159.08026	20.6
159.11661	11.9
161.13242	2.2
163.07558	10.0
165.09061	2.3
169.09956	1.3
171.11621	4.5
173.09547	5.2
173.13138	1.8
174.80106	1.1
177.09073	80.0
178.09422	0.9
187.14790	51.2
189.16380	11.4
191.10623	4.0
197.13322	1.4
205.15858	11.3
215.14279	16.8
233.15324	74.0
251.16327	1.5
264.57358	1.1
294.33157	0.9
364.52951	1.0
377.19360	1.1
386.22562	1.0
402.10263	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81557	1.3
55.05501	6.7
57.03433	3.0
67.05499	12.9
69.03400	7.1
69.07045	6.4
70.66074	1.3
73.02899	1.4
74.32408	1.3
76.15365	1.4
79.05453	9.5
81.03395	1.8
81.07031	39.9
83.65978	1.5
85.02888	16.2
91.05454	27.9
92.09217	1.9
93.07016	14.1
95.04948	2.9
95.08582	18.8
97.02876	6.9
105.07014	48.2
107.04955	2.8
107.08570	14.8
109.02866	1.8
109.06484	1.9
109.10155	1.7
109.63714	1.5
111.04432	12.9
117.07018	6.5
119.08564	27.8
121.06460	2.4
121.10123	10.1
123.11665	3.2
127.03872	1.9
131.08531	47.9
133.06450	2.5
133.10104	9.2
135.08051	1.7
135.11594	1.7
137.05951	3.4
139.07458	1.4
143.08554	5.6
145.04927	1.9
145.10106	52.9
147.11659	100.0
149.09622	7.9
149.13225	8.6
151.07497	13.8
155.08479	1.7
157.10121	5.5
159.08005	2.5
159.11659	10.1
165.09114	1.8
169.07578	3.4
173.09639	3.3
175.11139	55.2
175.14769	19.8
177.09077	8.4
177.12778	2.2
177.16374	6.9
185.13185	2.4
187.14795	38.4
189.16338	1.9
191.10651	2.0
193.12222	17.7
195.05440	3.5
195.10150	10.9
197.07132	3.4
203.14293	2.5
205.15828	37.6
215.14345	5.6
221.15355	9.7
225.06586	5.3
229.05994	1.7
233.11826	2.2
233.15318	70.6
239.08165	3.3
251.16310	33.1
271.06964	2.9
287.05292	3.6
295.07095	6.2
313.08051	3.5
370.13733	2.1
412.14981	2.6
430.15869	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	430.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	2.4
57.03172	2.8
57.03427	43.5
57.07068	29.2
59.04982	9.4
61.02914	3.0
63.04477	21.2
69.03073	4.3
69.03416	92.3
70.06560	4.5
73.02910	34.0
75.04454	2.7
81.03398	5.0
81.07043	3.1
85.02884	100.0
85.03365	4.4
86.09683	4.2
87.04453	62.5
95.04935	2.3
97.02864	78.7
99.04427	4.4
99.71706	2.6
105.06975	2.3
107.04935	3.8
108.01107	2.3
109.02869	3.7
109.06467	2.4
115.03912	63.7
119.10674	67.2
121.06451	2.7
123.04364	3.1
127.03870	11.0
129.06926	3.3
133.04915	50.3
137.06010	4.6
145.04922	5.5
145.10138	2.6
147.04419	4.2
163.07532	2.4
167.07072	4.3
168.16718	2.1
189.09053	10.0
233.11691	4.7
241.06969	3.3
251.12633	5.0
281.15854	4.1
282.94849	2.5
294.12021	2.2
389.10706	2.7
429.20776	5.4
430.21063	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	430.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61245	0.1
51.02348	0.1
51.03721	0.1
51.06458	0.1
53.03939	0.2
53.56105	0.1
54.79202	0.1
61.52792	0.1
67.03123	0.2
77.03913	0.2
82.52039	0.2
83.48836	0.1
85.04877	0.1
90.75017	0.1
91.05462	1.8
93.07027	3.8
95.04945	0.9
103.05454	3.0
116.60211	0.2
121.06482	100.0
122.06820	0.3
132.50946	0.2
138.09116	27.3
139.09444	0.2
238.08742	0.2
452.72052	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.23997	0.5
55.01851	1.1
55.05500	2.5
56.45015	0.6
57.03414	1.2
57.07053	3.0
60.71065	0.6
61.02905	1.1
64.60722	0.6
67.05389	0.6
69.03401	3.5
69.07043	4.1
70.06548	0.8
70.66351	0.6
71.04970	1.2
72.08126	2.7
75.58711	0.6
81.03415	1.2
81.07018	4.2
85.02886	11.8
85.06544	0.8
91.05460	2.8
97.02859	2.6
97.06521	1.1
103.05447	4.5
107.08611	0.8
109.06503	0.7
110.38574	0.7
115.05435	2.8
117.06993	17.6
119.04935	1.1
121.06448	0.8
123.04400	5.9
125.09585	0.9
127.03925	1.4
128.06152	0.8
129.06955	1.1
131.04893	14.9
131.08551	3.7
133.06480	0.8
135.04420	0.7
137.05945	3.9
141.07007	1.1
143.08475	0.8
145.06464	47.6
145.10095	2.9
147.04410	1.1
149.05959	28.4
153.09053	0.8
154.07753	1.3
155.05997	0.9
158.07298	1.4
159.08015	5.8
159.11665	3.9
160.05098	0.8
161.05963	6.1
162.06697	1.5
163.03845	4.0
163.07501	32.6
165.05391	0.9
169.10110	3.3
171.07980	0.9
173.05943	11.1
175.07538	1.3
175.11188	0.7
176.08302	1.4
177.05399	1.2
177.09088	1.1
178.06253	1.5
187.07536	0.9
187.11174	9.8
189.09067	4.4
191.06985	75.5
197.09554	3.6
203.10632	3.1
204.07803	1.3
205.12190	16.0
207.10075	1.5
215.10684	5.4
221.92657	0.8
233.11670	100.0
251.12714	31.7
430.20615	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57512	0.1
51.79234	0.1
54.08685	0.1
55.01871	0.1
55.05490	0.2
57.03425	3.5
57.90596	0.1
60.10994	0.1
60.53718	0.1
61.02899	0.2
61.84238	0.1
65.03913	0.3
67.05486	0.1
69.03397	0.6
73.02876	0.1
79.05462	0.6
81.03387	0.2
81.07029	1.1
85.02876	1.4
91.05452	16.2
97.02864	0.3
101.00298	0.1
105.06993	0.5
107.04942	0.2
109.06490	1.4
115.05420	0.8
117.06982	0.9
119.04913	12.2
123.04388	0.9
127.03900	0.1
128.06169	0.8
129.06964	0.6
131.04924	0.9
131.08522	1.0
133.06465	0.5
137.05946	100.0
138.06300	0.6
141.06995	1.1
143.04903	0.2
143.08516	1.3
145.06450	1.5
145.10030	0.2
147.04327	0.2
149.06001	1.2
154.07683	1.2
155.08502	0.2
157.10037	0.2
158.07207	0.3
159.08012	0.8
159.11612	0.5
160.05151	1.2
161.05942	4.7
161.09540	0.2
163.03893	0.2
163.07550	0.8
167.26509	0.1
168.05666	0.6
169.06441	0.7
169.10068	2.1
171.07959	1.2
173.05908	1.4
173.09499	0.2
174.06758	0.2
175.07547	0.3
175.46559	0.1
177.09065	0.4
179.08447	0.5
182.07191	0.2
185.09575	0.2
186.06734	1.1
186.10252	0.1
187.07483	0.8
187.11086	1.1
189.09042	4.4
191.07024	0.6
197.09589	1.4
200.08275	0.2
205.12120	0.9
207.10136	0.1
215.10634	3.9
215.13927	0.1
233.11671	4.7
251.12730	1.7
354.49927	0.1
394.72842	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	430.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05494	5.1
57.03411	6.3
57.03656	0.7
61.02893	4.4
66.93387	1.2
67.05478	4.0
69.03407	8.8
69.07055	1.3
71.04968	1.1
71.31215	1.0
79.05470	4.2
80.13803	0.8
81.03391	4.1
81.07050	0.9
83.04970	13.7
85.02425	1.6
85.02893	30.8
90.21996	1.0
91.05456	3.7
95.04946	1.5
95.08547	1.1
97.02867	9.8
97.06511	13.9
99.00813	0.9
99.01575	0.9
99.04430	1.1
102.41532	0.9
105.07006	2.1
107.04926	4.1
109.02847	5.1
109.04025	1.0
109.06503	1.0
114.36301	1.0
117.07005	4.2
119.08543	1.3
123.04386	5.0
127.03873	3.5
129.06921	1.2
131.08530	6.0
133.06438	4.6
135.04329	1.4
135.07950	1.1
137.05956	8.2
137.09578	2.0
141.06969	1.6
145.06468	13.3
147.04362	1.3
149.05942	5.6
154.07744	2.2
158.07239	4.8
159.08011	9.5
161.05820	1.1
163.03886	6.6
165.05510	1.8
167.07016	4.8
169.10143	3.5
171.08060	1.5
172.08818	1.2
173.05908	11.2
179.08488	1.0
181.03314	2.1
181.04922	64.6
182.07169	1.2
186.06747	6.1
187.11124	4.7
189.09073	1.6
191.06992	2.0
197.09595	4.0
200.08336	1.7
207.10097	1.6
210.09109	1.3
215.10635	100.0
229.12114	1.7
233.11674	85.1
251.12721	19.8
257.11646	4.0
268.16782	6.2
402.96140	1.1
428.58038	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	430.1566
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18157	0.1
52.24884	0.1
55.01849	0.2
57.03415	0.7
61.02909	0.6
65.50966	0.1
69.03417	1.4
71.04977	0.2
73.02901	0.6
74.26691	0.1
81.03388	0.7
83.01363	0.2
83.04939	0.2
85.02888	2.6
86.09686	5.7
89.26278	0.1
94.04070	0.2
97.02863	1.4
98.97543	0.2
109.02879	0.6
115.03859	0.1
119.03518	0.8
127.03888	0.6
130.49896	0.2
132.10181	2.1
133.04921	0.2
136.06158	100.0
137.04553	0.7
145.05013	0.2
150.05496	0.3
151.05885	0.2
151.53186	0.2
152.05627	0.3
197.08012	0.2
215.09076	0.2
220.72343	0.1
268.10321	4.3
298.11398	0.8
430.15591	3.7
436.77322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
52.58689	0.8
53.00301	1.5
55.05500	4.1
57.07062	24.1
64.43207	1.0
67.05492	7.3
69.07051	6.2
71.08272	1.4
71.08614	14.8
79.05465	4.7
81.07041	11.0
83.08615	1.4
85.10168	6.4
86.53413	0.9
90.64150	1.2
91.05484	1.6
93.07020	5.3
95.08586	7.9
97.10194	1.3
105.07016	4.8
105.85039	1.2
107.08569	10.4
109.06493	1.4
109.10139	7.3
111.04420	1.6
119.08577	4.2
121.06495	1.3
121.10127	7.0
122.07285	1.3
123.08058	1.5
131.08565	4.7
133.10135	1.4
135.07994	8.3
135.11787	3.5
137.09576	17.8
139.07533	1.6
145.10127	1.9
147.11623	1.5
149.09610	22.2
159.08110	1.5
159.11691	1.3
163.11168	20.6
165.09076	100.0
173.09637	2.2
173.13248	2.5
174.10233	1.3
175.11093	4.2
176.08357	2.1
177.09097	10.8
186.10390	1.3
187.11095	1.7
189.09009	1.3
190.09882	2.3
191.10600	12.5
201.12733	2.1
203.10576	1.7
205.12236	12.4
215.14288	1.6
219.13701	2.1
270.93423	1.1
411.35941	1.1
429.31833	5.3
429.37170	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	429.3724
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
55.05507	8.1
55.63743	1.9
57.07064	29.2
57.55396	1.7
63.71066	1.8
67.05486	12.3
67.26018	1.8
69.07054	12.0
71.08611	13.9
79.05487	3.7
81.07033	19.6
83.04978	3.5
83.08570	4.4
85.10164	4.5
91.05460	4.7
92.08666	2.4
93.07021	10.6
95.08578	19.6
97.10153	2.4
100.02680	2.2
105.07043	8.1
107.08601	8.1
109.10140	11.2
117.07003	2.9
117.66510	1.9
119.08548	10.0
121.10128	7.7
125.45941	2.4
131.08519	9.7
135.08061	10.6
137.09584	12.4
139.07564	2.2
145.10118	3.7
147.11604	2.2
149.09586	21.9
159.11649	9.6
161.09599	3.3
163.11145	21.4
165.09074	100.0
173.09630	3.8
173.13210	3.1
175.07536	2.8
175.11168	10.0
177.09082	9.6
191.10672	9.6
205.12224	4.6
219.13867	3.9
386.42108	2.4
411.35815	3.5
429.31702	6.4
429.37158	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	429.3722
Annotation	alpha-Tocomonoenol
Peak:m/z	Relative Intensity
53.00287	1.5
55.01847	1.5
55.05481	3.7
57.07064	29.2
59.45288	1.2
67.05490	5.8
69.07044	3.3
69.94129	1.5
71.08603	14.2
79.05489	2.5
81.07027	9.1
81.11988	1.4
83.08612	2.2
85.10159	6.2
93.07021	2.6
95.08575	8.7
97.10126	1.8
102.09750	1.4
102.42680	1.5
105.07030	2.1
107.08576	9.6
109.10147	7.7
119.08538	3.7
121.10153	2.8
133.10110	1.9
135.08020	8.4
137.09615	15.7
139.07521	2.0
145.10133	2.1
149.09602	18.5
163.11148	17.3
165.09074	100.0
172.26938	1.8
173.13231	3.1
175.11139	3.8
176.08273	2.9
177.09099	19.5
177.12627	2.0
191.10611	13.5
201.12688	2.7
205.12218	6.4
219.13719	3.6
401.34012	1.9
401.57596	1.7
411.36157	2.3
429.31622	6.1
429.37112	42.5
453.97025	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.9
54.81506	1.0
55.01859	1.7
55.05501	11.4
57.03426	18.1
58.03748	1.3
59.04979	2.0
59.97666	0.8
61.02918	2.4
67.05481	9.6
69.03418	19.3
69.07027	3.9
71.01314	1.4
71.04976	66.3
72.05305	11.5
72.08131	4.0
72.93255	1.0
73.02906	2.1
73.06561	1.5
75.04466	3.4
79.05478	9.4
81.03400	34.9
81.07038	13.5
83.04976	17.3
83.08601	10.6
85.02888	100.0
86.03221	13.7
86.09692	1.4
87.04452	4.0
89.07351	0.8
91.05456	13.1
92.09200	1.3
93.07027	9.2
95.04947	13.2
95.08593	5.2
97.02879	27.2
97.06495	1.7
97.10126	1.6
99.04419	4.5
101.02368	1.2
103.03931	1.8
105.06996	10.7
107.04935	5.2
107.08578	4.7
109.02843	6.7
109.06483	1.8
109.10166	1.7
111.04433	6.8
111.08067	5.2
112.98236	0.9
117.07003	1.7
119.08572	9.8
120.08061	6.7
121.06496	1.2
121.08425	1.8
121.10122	4.2
123.04380	3.9
123.07988	1.7
127.03905	11.1
129.05447	18.5
129.06917	7.5
130.05771	1.8
131.08542	6.4
131.98125	1.0
133.06471	1.2
133.10106	3.8
137.06017	1.1
139.03870	1.2
142.07715	1.5
143.08562	1.1
145.04895	3.8
147.06493	10.4
147.07996	1.2
147.11684	11.0
148.06837	3.8
149.09647	1.7
151.07553	1.5
157.10040	7.3
163.11150	2.0
164.09146	1.3
165.12682	1.1
175.11118	7.7
193.12204	19.6
211.13258	20.2
231.13704	1.3
233.11610	1.6
249.14789	2.2
267.15927	1.8
285.16882	5.4
360.10837	1.0
411.19839	1.7
429.21036	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	429.2087
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72192	0.5
55.86663	0.5
56.96549	2.7
59.04981	0.6
61.05259	0.5
70.06580	0.6
81.07030	0.7
84.96043	0.7
85.02908	2.5
91.05472	0.8
98.97556	4.7
111.04430	0.9
114.36882	0.7
116.98613	2.9
120.05340	0.8
134.99643	0.8
137.05946	12.3
138.06302	7.3
139.97185	0.6
146.99689	1.0
147.04434	2.9
155.93158	0.7
159.06892	0.6
161.01250	0.9
161.06001	3.4
162.06580	1.4
163.53040	0.8
175.07526	0.8
176.07729	0.8
203.05359	1.3
203.07030	1.3
204.07356	1.3
213.00653	1.4
216.52689	0.6
219.01738	1.4
221.08026	1.4
222.08345	1.2
237.00667	1.1
237.02826	2.8
243.01797	3.2
261.02853	1.2
273.02649	0.7
346.13657	0.7
369.04794	1.0
387.06256	1.2
393.03928	0.7
411.19937	3.2
429.20905	100.0
430.21500	0.9
438.68826	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2089
Annotation	Unknow
Peak:m/z	Relative Intensity
53.56940	0.5
56.96542	0.6
59.32565	0.5
69.03419	1.1
70.06581	4.5
71.04976	1.3
85.02890	6.2
86.09692	0.7
97.02880	1.1
98.97589	3.0
104.46258	0.6
107.72859	0.6
111.04407	0.8
116.98634	1.3
123.04270	0.7
127.03838	0.9
134.99744	2.3
139.03931	0.8
142.47752	0.6
147.04382	1.1
193.33430	0.7
205.05034	0.9
215.07166	0.7
222.52383	0.7
255.01749	1.4
298.02972	0.7
329.15726	0.9
399.20444	0.7
401.87488	0.7
411.11414	0.8
411.20087	0.7
429.21024	100.0
429.99615	0.7
430.21851	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	429.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.9
55.01861	3.1
55.05495	3.6
56.96564	1.9
57.03433	2.2
58.81848	1.5
61.02906	1.7
64.33659	2.0
64.57134	1.7
65.83947	1.7
67.05498	8.5
69.03400	3.9
69.07055	12.0
71.04982	2.4
79.05482	19.0
79.22992	1.6
81.07041	13.1
83.04963	9.4
85.02900	17.3
85.06516	3.2
91.05458	4.3
93.07031	8.1
95.04955	11.5
95.08591	9.9
95.67496	1.7
97.02874	2.9
97.06508	19.8
101.76456	1.6
105.07012	8.4
107.04910	1.6
107.08590	7.7
109.06510	2.3
109.10148	7.5
111.08057	1.8
118.86407	1.7
119.08551	2.1
127.03938	3.5
130.06465	1.8
131.08563	7.6
132.04428	2.6
133.05318	2.3
137.05977	8.9
143.08559	2.2
145.06451	2.4
146.06062	2.5
157.10153	2.2
161.04726	2.0
162.05449	17.0
164.07932	2.2
165.05492	2.1
167.07285	2.7
167.08589	2.3
168.08014	3.7
170.06139	2.5
170.09642	2.2
172.03915	3.6
173.07082	7.2
174.05482	12.8
180.08002	2.5
183.06847	3.4
184.07538	10.2
184.11246	7.3
191.07083	9.7
193.08952	2.9
194.09691	11.7
196.07603	7.1
196.11166	2.3
197.08391	8.5
198.09152	8.2
199.06201	1.8
200.07214	1.9
200.10793	2.6
202.08681	1.9
207.06787	3.7
208.07533	3.9
209.08372	3.6
210.09132	11.5
211.06706	2.0
211.08517	18.8
212.07094	8.4
212.10670	17.3
213.07841	2.0
214.08612	2.7
218.06807	2.5
220.07643	2.4
220.11185	1.8
221.06937	6.5
221.10559	2.2
222.05565	2.7
222.09216	19.9
223.06259	3.6
224.07098	3.4
224.10703	17.1
225.07968	2.6
226.08615	3.8
228.10194	3.4
233.11656	17.5
234.09245	5.4
235.06485	1.7
236.06984	2.3
236.10660	3.9
238.08810	3.2
239.08150	8.2
239.11769	8.4
240.06516	2.6
240.10173	68.5
241.10979	6.8
242.11714	3.2
245.56064	2.2
250.08672	11.4
250.12163	1.7
251.09409	3.1
251.11815	3.2
252.10211	10.9
254.11780	3.2
257.09064	6.2
257.12869	2.9
258.11209	25.4
259.12100	4.3
260.10367	1.9
264.10193	4.0
266.11908	2.9
267.07669	2.9
267.19449	3.1
268.09622	8.8
268.12198	2.3
270.11295	3.4
279.08972	2.1
282.11017	2.7
285.08817	9.2
285.12289	2.1
290.11652	6.7
296.09204	3.1
297.09949	4.2
303.77527	1.8
306.15039	2.3
313.11783	10.4
314.12607	11.6
315.30798	1.9
318.14676	3.5
331.12903	9.6
338.17398	2.7
348.15768	3.6
350.17520	4.1
352.15390	3.1
365.18460	8.4
366.17059	2.3
376.15408	6.9
383.19342	3.7
394.16428	100.0
395.16534	2.0
411.19034	36.9
412.17456	30.9
429.20029	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	429.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14558	0.3
53.03927	0.8
55.01844	0.6
55.05484	0.5
57.03407	0.4
58.62394	0.4
61.48655	0.3
67.05476	2.0
68.99758	0.5
69.03403	1.7
70.84494	0.3
77.03885	0.8
79.05453	0.9
81.03429	0.4
81.07032	1.5
83.04946	0.4
85.02884	1.7
85.06527	0.5
86.09695	0.8
91.05463	4.4
93.07018	12.4
95.04951	4.1
95.08556	0.4
97.02875	0.4
97.06520	0.7
103.05476	0.8
105.03362	0.8
105.07011	0.6
107.04898	0.7
109.06511	0.4
111.04442	1.9
119.08561	0.5
121.06459	6.2
123.04398	100.0
137.05942	0.5
139.03874	43.8
139.07462	2.5
147.04385	1.5
151.03894	8.7
163.03876	0.4
165.05472	0.5
189.05525	0.5
195.11652	0.6
196.11966	0.5
213.12727	1.4
231.13826	0.6
249.14711	0.4
258.11264	2.0
273.07565	2.4
282.64941	0.4
336.39774	0.4
353.79733	0.5
412.17490	0.6
429.11319	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	429.1366
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	1.0
56.96554	4.3
57.03446	1.0
69.03411	4.3
69.04537	4.6
70.06556	1.2
71.04974	8.1
75.43404	0.7
81.03387	1.4
81.07027	1.2
83.01080	1.7
84.95988	1.1
85.02888	5.7
87.00849	1.2
91.05452	1.0
91.85220	0.8
93.06993	0.8
95.01070	6.3
95.04932	1.3
96.01879	2.9
97.02828	1.2
98.97559	1.3
100.41781	0.9
101.95110	0.8
105.07005	4.2
107.04949	1.4
109.06519	0.9
112.01306	1.1
113.02105	5.4
116.98608	1.4
119.08564	1.2
123.04444	6.2
127.03872	7.7
127.11163	13.3
128.11520	1.6
133.06470	1.1
135.04417	1.2
139.03912	4.2
146.10577	0.9
157.04774	1.1
163.03889	1.2
177.01575	5.6
181.04895	0.8
185.04176	9.2
192.03896	31.6
201.03769	3.8
203.05180	1.9
207.03207	1.1
219.01625	1.2
225.04353	1.2
235.05756	1.9
250.10440	1.0
253.03729	1.0
255.01753	3.5
257.04510	4.0
259.07883	3.8
266.14609	3.6
345.83615	0.8
398.11786	6.1
399.12549	1.9
411.20209	1.8
429.13583	100.0
429.20837	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	429.1362
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81571	1.4
55.01838	1.6
56.06222	1.1
56.96521	1.2
59.19065	1.1
63.48449	1.1
65.03904	1.6
68.38783	1.1
69.03387	4.8
69.04507	2.3
71.04953	5.1
73.02861	1.4
83.01064	1.7
85.02844	7.5
87.02992	1.3
91.05405	2.4
95.01003	3.2
95.04926	1.4
98.97548	1.5
99.08018	1.2
107.04914	2.6
111.04339	3.0
112.01273	1.6
113.02041	8.0
116.98537	1.5
119.04840	8.6
121.06417	2.3
123.04317	1.7
127.03765	1.3
127.11114	6.2
128.11481	2.0
131.04831	2.4
133.06375	1.7
135.04332	2.0
137.05942	41.4
138.06274	10.3
147.04352	10.0
148.04634	1.7
149.05859	2.7
153.05322	2.4
157.04587	1.9
161.05936	14.6
162.06508	1.4
163.03780	2.0
175.07344	2.1
177.01494	2.6
185.04070	8.3
192.03885	36.4
203.05168	1.7
203.06882	6.1
204.07193	1.6
218.64517	1.3
221.07887	5.0
222.08208	1.6
235.05573	2.1
236.37819	1.4
243.08185	1.7
258.94531	1.3
259.07620	1.4
304.02676	1.2
315.86505	1.3
337.10181	1.4
345.13068	2.1
398.11462	5.1
427.15723	1.7
429.13147	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.3732
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	29.5
56.05018	3.1
57.07063	28.9
58.06582	4.5
60.04519	27.6
63.93372	2.1
67.05492	8.3
69.07053	3.7
71.60381	2.3
74.06062	11.9
74.28661	2.1
79.05498	3.6
81.07021	10.0
83.08584	4.3
83.49153	2.4
87.07565	2.8
87.08092	67.4
88.07610	20.1
91.05425	2.9
93.07027	5.8
95.08575	9.5
103.33355	2.4
111.32465	2.7
135.11691	3.5
154.12408	2.4
158.79721	2.3
165.09116	12.6
166.09435	5.7
174.14917	9.3
274.93933	2.5
396.34552	9.0
427.87924	3.3
428.32706	3.7
428.37256	100.0
450.56146	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	428.2487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
55.01860	0.8
55.05504	2.7
57.03424	14.2
57.03692	0.6
57.51499	0.4
59.04976	0.8
61.02912	2.4
62.41245	0.4
65.05420	0.3
69.03425	3.2
71.01351	0.7
71.04975	80.4
73.02907	3.9
75.04456	4.6
81.03380	0.7
83.04963	8.3
85.02887	100.0
87.04443	2.1
91.03938	0.5
97.02870	5.1
97.06485	0.8
99.04411	1.5
101.06006	0.5
109.02843	1.9
111.04432	4.2
116.57941	0.4
120.08073	0.9
127.03867	4.2
129.05443	25.7
145.04922	5.0
147.06496	12.9
151.63391	0.4
162.19450	0.4
163.03874	0.5
163.05960	2.2
164.09122	4.0
194.67535	0.4
203.47760	0.4
231.13560	0.4
247.76544	0.4
249.11115	0.4
255.08514	0.9
258.11212	0.5
265.16486	0.6
273.09531	1.6
274.07977	0.4
309.11566	1.6
428.18237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2489
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07678	0.4
53.03930	0.5
55.01846	0.8
55.05499	3.3
57.03427	12.4
59.04976	0.9
60.04502	0.9
61.02917	1.1
65.59366	0.4
67.05497	0.6
69.03421	4.1
69.07060	0.5
70.06559	0.5
71.01346	0.9
71.04975	75.0
73.02898	3.1
74.33833	0.4
75.04462	6.1
79.05450	0.5
79.90791	0.4
81.03397	1.8
81.07055	0.9
83.04971	10.8
85.02889	100.0
87.04447	3.4
91.73559	0.4
93.07034	0.7
95.04967	0.6
95.08549	0.5
97.02853	5.7
97.06492	0.6
99.04430	2.2
101.05984	0.6
103.03890	0.6
105.06997	0.8
107.08559	0.5
109.02885	2.3
111.04427	5.5
120.08085	3.0
121.47399	0.5
127.03907	5.1
129.05447	25.8
145.04900	4.7
146.08099	1.0
147.06517	11.8
155.08589	0.7
157.10130	0.8
163.05936	0.7
164.09201	3.1
165.07455	0.7
207.06555	0.9
249.11284	2.7
255.08565	1.0
273.09818	1.2
309.11694	0.7
385.15213	0.6
429.20905	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2486
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00287	0.3
53.03937	0.3
54.81611	0.5
55.01863	0.6
55.05507	2.8
57.03426	12.1
59.04985	0.8
61.02909	1.7
67.05490	0.5
69.03416	3.3
69.03748	0.4
71.01341	0.5
71.04971	75.3
72.05389	0.4
73.02888	2.9
73.06529	1.0
75.04457	4.9
76.39883	0.4
78.04427	0.4
81.03402	1.6
81.07036	0.8
83.04962	9.6
85.02884	100.0
87.04452	2.4
92.54234	0.4
93.61761	0.4
95.04948	0.5
97.02856	5.4
97.06528	0.4
99.04418	1.7
101.06066	0.4
103.03893	0.5
109.02890	1.5
111.04411	4.9
120.08067	6.8
127.03883	4.4
129.05446	24.1
145.04964	4.4
147.06497	12.2
163.05945	2.7
164.09119	1.8
166.08609	0.7
167.07077	0.4
182.78688	0.4
197.77086	0.4
231.06439	0.6
255.08463	1.7
266.13727	0.9
273.09625	1.7
309.11697	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	2.8
55.12054	1.7
57.03423	2.0
61.46310	1.6
65.03972	2.0
67.01859	3.6
67.05492	12.9
69.03416	23.4
69.07034	2.1
69.18968	1.6
70.58375	1.8
79.05476	2.8
79.82065	1.6
81.03400	2.5
81.07034	10.8
83.04962	12.6
85.02886	12.8
91.05472	20.1
92.09361	2.3
93.07042	17.8
95.04978	16.3
95.08591	9.8
97.02866	2.7
97.06508	4.2
103.40318	2.0
105.07004	9.8
107.08597	11.9
109.06515	11.4
111.08074	4.2
116.06158	2.2
117.07012	2.8
119.08572	34.0
120.08115	2.5
121.06482	4.0
131.08540	8.0
133.06448	3.2
133.10129	8.2
135.08038	9.1
137.05919	3.1
137.09590	2.7
145.10106	3.5
147.08040	63.6
157.10030	3.0
161.09581	4.1
161.13275	3.9
165.05461	13.6
175.07556	13.3
175.14864	2.8
179.07062	2.5
189.12642	3.9
203.14299	7.8
209.90886	2.3
212.51375	1.9
217.90230	1.9
231.13766	17.9
249.14801	100.0
316.37250	2.0
392.61707	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.6
55.05505	6.7
65.57742	1.7
67.01849	7.9
67.05493	14.8
69.03398	19.2
70.26707	1.5
71.42805	1.6
79.05473	2.2
81.07029	15.6
83.04977	13.1
85.02904	13.0
85.06530	2.1
85.33344	1.5
91.05470	14.2
93.07019	17.8
95.04962	18.5
95.08591	13.0
97.02859	6.7
97.06512	7.0
105.07022	12.7
107.08566	11.8
109.02879	6.7
109.06485	12.7
109.10137	6.3
111.08071	8.6
117.07051	1.8
119.04926	3.1
119.08553	34.1
120.08117	2.3
121.06496	4.2
121.10170	2.2
123.04398	2.2
129.06972	2.6
131.08542	3.8
133.06496	4.2
133.10112	6.8
135.08069	12.5
137.05936	2.7
137.09593	10.0
143.08528	2.8
145.10097	4.1
147.08023	67.0
149.09586	2.3
151.07567	2.6
157.10101	4.1
159.08034	1.6
161.06003	3.9
161.09602	3.4
161.13202	2.4
165.05412	16.0
165.51253	1.6
171.11647	2.1
175.07472	14.3
175.11082	1.8
185.13284	3.2
187.14574	1.7
189.12730	11.6
203.14316	9.9
213.12703	2.6
231.13701	17.3
249.14790	100.0
249.17311	3.8
428.69766	1.9
444.60001	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	428.2279
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.2
51.42500	0.2
58.08404	0.3
59.58916	0.2
64.46851	0.2
69.03407	0.3
79.05478	1.8
81.07053	0.3
85.02904	0.3
91.05457	0.4
98.97569	0.4
103.05435	1.1
105.07014	100.0
106.07376	1.5
111.04428	0.5
119.04902	1.3
120.49439	0.3
122.03619	0.3
122.09647	29.7
123.09969	0.3
125.05965	0.3
136.06172	1.1
137.05960	8.4
147.04413	2.2
149.06004	0.4
153.05499	0.4
160.34578	0.3
161.05943	2.2
162.06691	0.5
163.96979	0.3
175.11803	0.2
203.01930	0.2
203.07043	1.8
208.00917	0.2
210.66901	0.3
211.75755	0.3
221.08076	1.1
237.09006	0.3
287.65936	0.3
343.11743	0.6
345.13257	0.6
451.15991	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	428.2125
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03423	0.4
61.57282	0.2
61.58249	0.2
63.89459	0.2
67.95963	0.2
69.03410	0.4
71.04988	0.3
84.08121	0.2
85.02893	1.2
86.09689	100.0
87.10032	0.4
97.02856	0.5
99.08066	2.0
108.94253	0.2
115.22433	0.2
117.09112	1.2
121.06461	1.6
127.03901	0.4
132.10176	41.0
135.04694	0.3
135.10191	0.2
136.06165	1.1
137.37718	0.2
140.66835	0.2
144.94171	0.2
150.05502	1.2
152.05597	0.2
231.87868	0.2
410.14789	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.3567
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	0.9
53.03931	0.5
55.05505	17.0
57.07066	8.5
58.77680	0.3
65.03905	0.5
67.05495	7.4
69.07054	49.1
71.08620	2.6
79.05473	2.0
81.07035	10.6
83.04974	0.6
83.08607	10.8
85.10154	0.6
91.05482	2.9
92.09278	0.8
93.07028	4.0
95.08592	7.6
97.10159	4.7
100.02894	0.4
105.07005	2.3
107.08572	7.0
109.10140	8.7
111.04392	0.6
111.08047	0.4
111.11691	2.8
117.06961	0.7
119.08570	4.1
121.10108	4.2
122.07244	0.7
123.08043	1.0
123.11672	1.5
131.08559	2.3
133.10120	2.2
135.08028	5.1
135.11667	1.9
135.35211	0.4
137.09593	15.2
137.10579	0.8
139.07524	1.7
143.08554	0.6
145.10114	2.0
147.07973	0.6
147.11676	0.7
149.09604	13.9
149.13213	0.8
151.07503	2.3
157.10126	0.6
159.08025	0.9
159.11662	2.0
160.08774	0.8
161.09587	1.8
162.06714	0.8
163.07576	0.8
163.11157	7.9
165.09077	100.0
172.08789	0.7
173.09584	2.1
173.13202	1.0
174.10394	0.6
175.07535	0.9
175.11166	4.5
175.14807	0.5
176.08304	2.3
177.09073	7.5
179.10637	1.9
185.13168	0.5
186.10414	0.5
187.11115	2.6
189.09055	3.3
189.12692	1.9
190.09875	0.7
191.10631	7.2
199.11111	0.6
201.12743	1.8
203.10646	6.9
203.14331	0.8
205.12198	10.3
217.12138	0.8
219.13687	1.5
231.13695	1.7
233.15178	0.4
259.32993	0.4
268.37088	0.4
289.21582	0.5
301.21506	0.5
303.23080	0.5
345.27878	1.9
357.27515	0.5
363.70734	0.5
371.29459	0.6
399.32538	0.6
412.32996	0.5
427.30600	0.7
427.35748	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	427.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	11.6
57.07059	2.6
66.33178	1.2
67.05487	7.7
69.07053	33.7
71.08597	1.5
81.07031	12.5
83.08603	10.3
91.05451	1.6
92.64294	1.3
93.07031	6.8
95.04939	1.3
95.08589	11.6
97.10133	2.2
105.07019	2.6
107.08582	5.6
109.10133	11.4
110.59612	1.3
111.11713	1.7
119.08551	6.8
121.10119	4.9
123.08023	1.6
123.11688	1.9
131.08560	1.8
133.10135	2.9
135.08006	3.0
137.09599	18.3
145.10071	3.1
149.09598	10.7
151.07529	1.6
157.10101	1.5
159.11752	1.9
163.07558	1.4
163.11179	5.3
165.09081	100.0
176.08238	2.0
177.09065	6.8
187.11134	1.7
189.09174	1.7
191.10614	5.3
203.10632	5.3
205.12239	6.9
427.35794	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	427.3568
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28199	1.4
54.81577	1.4
55.05507	18.3
57.07053	7.3
59.71672	1.2
67.05499	9.2
69.07053	15.0
71.08605	2.5
74.92351	1.4
76.80117	1.4
79.05498	3.7
81.07037	15.7
82.21105	1.3
83.08596	13.3
87.66392	1.6
91.05429	1.4
92.96963	1.7
93.07022	9.3
95.08584	10.1
96.08947	1.6
97.10145	3.0
105.07011	8.2
107.08569	7.5
109.10144	8.7
118.82224	1.4
119.08559	8.0
121.10150	2.4
122.07261	1.4
133.10135	2.8
135.08014	3.1
135.11674	1.5
137.09641	16.3
145.10135	1.9
149.09589	7.5
149.13257	1.7
152.57178	1.5
159.11707	2.1
161.48880	1.7
163.07602	2.6
163.11165	3.4
165.09079	100.0
175.07356	2.0
177.09077	3.1
191.10625	3.2
203.10666	2.9
205.12228	8.9
404.65768	1.8
427.35672	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.1958
Annotation	Naucleidinal
Peak:m/z	Relative Intensity
52.30891	1.8
53.03954	1.7
54.81733	1.9
55.01849	2.1
55.05502	8.0
56.96561	2.8
57.03419	1.7
59.04963	1.3
61.02913	1.7
65.03923	2.8
67.05495	11.5
69.03418	27.2
69.07042	2.5
70.06565	12.5
70.31918	1.7
71.04974	12.6
72.08148	3.9
74.06640	1.7
79.05472	7.4
81.03393	2.8
81.07033	9.5
83.04971	3.9
85.02887	13.1
85.06535	3.7
91.05453	24.7
92.08781	1.9
93.03400	2.6
93.07019	18.8
95.04958	24.7
95.08583	15.8
97.02882	6.6
97.06541	3.5
99.04435	3.3
105.07023	30.6
107.04925	2.5
107.08597	14.7
109.02847	2.3
109.06525	15.2
109.10157	3.6
111.04413	15.8
111.08059	3.8
113.06007	4.0
115.05451	1.9
117.07018	8.9
119.04928	3.7
119.08564	48.8
120.36023	1.6
121.06482	26.8
121.10120	10.2
121.36336	1.4
123.04413	13.4
123.08051	10.2
125.09612	2.4
127.03907	1.7
127.11139	2.6
128.06169	2.7
129.07002	10.4
131.08542	27.6
133.06480	7.7
133.10110	12.7
135.04395	6.9
135.08026	35.2
137.05937	3.5
139.03888	25.2
141.07002	2.3
142.07738	3.8
143.08546	10.4
144.09294	2.0
145.06499	9.9
145.10069	19.3
147.04390	6.4
147.08041	22.0
147.11667	11.6
149.05942	3.0
149.09608	4.0
151.03911	2.6
151.07552	2.4
153.06866	2.6
155.08574	3.7
156.09308	2.0
157.10132	7.8
158.07253	12.8
159.08003	18.6
159.11623	23.3
160.08820	2.1
161.05986	3.2
161.09567	18.4
163.03899	2.3
165.09003	12.2
167.76085	1.7
168.09407	2.1
169.10092	2.3
171.07904	2.5
171.11688	6.6
172.08774	14.3
173.09570	9.3
173.13257	8.4
175.07513	35.7
175.11095	18.1
179.03398	2.2
181.06516	1.7
183.11700	8.6
185.09460	3.8
186.10292	2.2
187.11172	19.0
189.09047	6.1
189.12724	8.2
191.03395	2.2
193.08647	5.7
196.08794	3.5
199.11142	3.6
201.12682	20.3
203.03342	3.0
203.10609	17.1
205.12120	2.1
211.11153	10.1
213.08755	1.7
217.12126	13.1
219.13660	3.1
229.12244	13.9
235.13187	2.4
247.05992	4.0
247.13113	27.1
259.06262	2.2
265.14264	100.0
283.06088	3.1
287.05310	3.6
301.07010	2.6
356.25677	1.7
383.16556	2.7
427.15604	20.3
427.19864	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	427.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00273	1.6
53.03933	3.3
55.01863	1.8
55.05489	6.3
56.96561	1.5
57.03423	3.2
61.02901	1.9
67.05476	8.5
68.99768	2.0
69.03415	27.3
69.07044	3.4
71.04972	4.3
79.05466	12.0
80.82749	1.6
81.03388	3.4
81.07029	12.5
81.33640	1.6
83.04971	24.7
85.02868	11.0
85.06522	9.1
91.05466	17.0
93.03399	2.4
93.07021	25.2
95.04931	11.6
95.08578	3.1
97.02855	10.2
97.06499	8.9
98.96627	1.6
101.81743	1.7
105.07015	17.6
107.04945	3.6
107.08572	31.5
109.02881	14.9
109.06524	18.4
109.10143	6.6
111.04397	7.0
111.08060	7.9
112.08862	2.8
117.06947	7.8
119.08556	21.6
121.06480	43.2
121.10088	10.2
123.04412	1.8
123.08025	3.4
125.09612	7.7
127.07495	2.5
128.06192	2.7
129.06953	3.6
131.08528	17.7
133.10072	14.4
135.07059	3.4
135.08026	67.1
135.11626	2.0
137.04074	1.9
137.05951	3.1
142.07704	2.7
143.08514	10.2
144.09305	7.8
145.06458	7.0
145.10103	11.2
147.08008	3.3
149.09604	18.3
150.10376	2.3
151.07521	3.1
151.11200	2.3
153.09087	2.2
154.04994	4.0
155.05286	2.4
155.08456	3.2
157.10097	1.8
158.10875	14.8
159.08015	10.2
159.11642	23.0
160.08771	2.6
161.05804	1.8
161.09601	4.1
163.03862	2.3
163.07497	26.6
163.11104	3.4
165.34497	1.6
167.06972	2.2
168.09221	3.7
170.10823	2.9
171.08047	2.5
172.08766	10.7
173.02301	2.7
173.09604	21.1
173.13206	41.7
183.11685	3.3
184.10805	2.2
185.09656	2.6
186.10376	19.0
187.11133	78.3
191.06972	15.2
196.08626	3.4
201.12698	54.4
203.14355	2.3
205.12234	14.8
211.11217	4.1
214.09625	2.4
215.06839	2.7
219.13777	8.6
229.12190	51.5
229.14413	2.5
247.10632	3.3
247.13214	100.0
260.09970	7.7
339.10956	7.9
427.16537	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	427.1375
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
50.52178	0.9
54.81054	1.0
56.96554	11.8
69.03403	1.4
71.04979	1.4
85.02894	2.8
92.08698	2.5
98.97569	13.1
116.98633	2.5
139.00656	1.9
140.04233	1.3
157.01790	2.3
169.01849	1.3
177.00749	1.8
193.05318	9.4
197.04626	1.6
200.47792	1.2
205.05392	5.1
211.06377	13.9
221.04813	2.9
223.06398	45.5
225.04314	5.0
237.02803	7.7
241.07443	21.0
247.06381	6.7
265.07407	16.1
271.08496	1.6
283.08514	21.2
307.08646	1.5
367.10623	22.5
390.18689	1.5
427.13242	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	427.138
Annotation	5-Hydroxy-8-(4-hydroxy-3,5-dimethoxyphenyl)-10-methoxy-2,2-dimethyl-2H,6H-benzo[1,2-b:5,4-b']dipyran-6-one
Peak:m/z	Relative Intensity
55.05488	2.3
56.96550	11.6
60.98621	1.0
69.03433	1.2
69.07017	1.1
71.04979	1.0
85.02889	3.9
93.07021	1.6
95.04964	1.4
95.68336	0.9
98.97543	13.1
107.08594	1.4
110.97535	2.0
116.98568	8.2
121.10162	1.1
128.98587	1.7
130.74332	1.0
132.90852	1.0
134.99660	1.5
139.00629	2.1
143.00136	1.3
150.79497	0.9
152.05835	0.9
154.02324	1.0
157.01709	4.6
174.86563	0.9
177.00804	1.5
193.05325	7.2
205.05319	8.0
207.03194	1.6
210.15669	1.2
211.06392	16.1
221.04733	7.1
223.06380	42.4
225.04346	2.0
230.36423	1.0
237.02740	9.7
241.07411	17.7
247.06416	7.6
251.05775	1.1
265.07419	20.1
265.09991	1.7
271.08481	1.5
279.09000	1.1
283.08466	21.8
312.67825	1.1
367.10580	29.0
427.13257	100.0
427.18964	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	427.0869
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.1
54.81636	0.1
55.01862	0.2
55.05503	0.6
56.02512	0.1
56.96558	0.1
57.03427	2.3
58.03756	0.1
59.04993	0.1
61.02916	0.7
63.12123	0.1
63.63195	0.1
67.01849	0.2
67.05479	0.1
68.99770	1.0
69.03411	1.3
69.07040	0.1
70.06566	0.1
71.01344	0.2
71.04975	14.2
72.05311	1.3
73.02901	0.8
75.04462	1.0
79.01836	0.2
81.03402	0.8
81.07021	0.4
83.04968	1.9
83.08636	0.1
85.02890	20.0
85.06516	0.1
86.03221	1.9
87.00816	0.4
87.04459	0.4
91.03944	0.1
93.07033	0.1
95.04967	0.1
95.08577	0.1
97.02881	1.1
97.06511	0.2
98.03173	0.1
98.97540	0.1
99.04432	0.7
101.06001	0.2
105.01888	0.1
106.12987	0.1
107.04941	0.1
107.08618	0.1
109.02857	0.8
109.06486	0.1
111.04424	1.9
113.90699	0.1
119.08568	0.1
120.08070	0.2
120.54659	0.1
121.10153	0.1
123.04391	1.1
123.11687	0.1
125.09611	0.4
127.03893	2.2
128.04248	0.1
128.11960	0.1
128.82437	0.1
129.05453	4.4
130.05768	0.8
133.02835	0.2
135.04463	0.2
137.02327	0.4
139.03880	0.1
145.04933	1.2
146.05296	0.1
147.04433	0.2
147.06493	2.2
151.03865	0.1
153.01788	1.4
154.02132	0.4
155.02193	0.2
155.03297	0.8
159.02895	0.1
161.02303	0.2
161.05936	0.4
163.05957	0.2
164.09164	0.6
179.03362	100.0
180.03690	0.5
187.07465	0.1
189.09048	0.1
197.01123	0.4
201.00737	0.1
215.06987	0.5
216.07335	0.1
226.98616	0.1
237.00644	0.4
244.99622	0.2
255.01646	0.1
255.08624	0.4
259.09555	0.1
263.14792	0.1
265.07089	0.2
265.15237	0.1
273.09622	0.1
274.07745	0.1
309.11862	0.2
427.08923	0.8
427.19342	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	1.6
55.01857	2.0
55.05497	6.0
56.96546	1.3
57.03427	12.5
59.04983	1.5
61.02909	2.1
67.05487	6.5
68.99754	1.0
69.03407	5.9
69.07044	5.2
70.06583	1.1
71.01324	5.6
71.04974	77.6
72.08110	1.2
73.02898	4.4
75.04460	5.7
77.55486	0.8
79.05473	4.7
81.03392	2.1
81.07034	5.9
83.04964	13.1
83.08585	1.3
85.02889	100.0
85.06516	1.0
87.04438	1.5
89.92809	1.0
91.05453	5.9
92.48091	0.9
93.07027	1.4
95.04938	7.4
95.08564	4.5
95.09129	0.9
97.02866	5.6
97.06531	8.1
97.10140	0.9
98.97531	0.9
99.04423	1.2
105.06989	2.0
107.08587	3.6
109.02863	4.5
109.06509	1.3
109.10115	2.2
111.04418	6.4
113.09663	1.1
115.05426	1.9
116.98623	0.9
119.04909	1.4
119.08532	1.6
121.02805	1.2
121.10076	2.0
123.04408	33.7
124.04733	6.3
125.04908	2.3
125.05973	1.7
126.31520	1.0
127.03875	4.1
128.06198	1.8
129.05463	25.3
129.06961	3.9
129.34160	0.9
131.08557	2.2
133.06412	1.3
135.04405	2.1
136.12070	1.1
137.05949	25.1
139.03871	8.8
140.04208	4.6
141.04407	1.5
141.06966	7.2
142.07715	1.0
143.08499	3.8
143.10637	1.9
145.04919	5.4
147.04387	4.6
147.06508	12.6
151.03912	1.3
152.06198	1.8
157.06500	1.8
157.10115	1.7
160.05196	8.3
161.05940	27.4
163.03883	12.9
163.05984	3.5
164.09149	4.9
167.07004	4.5
167.08577	7.8
169.06461	3.9
170.07146	1.3
171.07976	2.2
173.05956	3.7
174.06656	1.3
175.03896	2.1
175.07520	9.1
184.05182	1.4
185.05989	4.3
185.09612	3.7
187.07480	5.0
189.05429	1.6
189.09058	18.4
195.08054	6.5
197.05914	1.6
199.07507	1.0
203.06934	2.0
203.10622	5.3
211.16844	1.1
213.09033	10.3
215.06999	30.1
217.08582	1.7
225.09215	1.2
229.14633	1.0
231.10065	3.6
239.10605	1.3
241.08545	3.7
247.09572	16.7
259.09619	28.0
264.11966	1.1
267.10120	1.8
275.08148	1.7
277.10605	1.1
309.11563	2.0
313.10654	2.0
322.01480	1.1
426.16168	2.1
427.19153	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	426.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
55.01880	0.4
55.05512	3.4
57.03429	13.7
59.04993	1.5
61.02917	1.4
67.05496	0.5
69.03403	2.7
71.01340	0.8
71.04977	82.9
73.02896	3.1
74.55934	0.3
75.04458	5.6
79.05504	0.3
80.32175	0.4
81.03389	1.4
83.04964	9.4
83.05434	0.6
83.08630	0.7
85.02890	100.0
86.82490	0.3
87.04445	2.2
91.05476	0.4
93.07052	0.6
97.02872	3.8
99.04417	1.7
103.03931	0.5
109.02858	1.4
110.06036	0.5
111.04422	4.4
127.03867	3.8
129.05453	24.5
130.73956	0.3
143.04898	1.5
145.04933	2.9
147.06514	13.6
150.02371	0.3
153.51743	0.4
161.05913	2.8
163.05940	0.7
164.09155	3.1
174.06847	0.4
175.11107	0.4
189.05437	7.5
215.06950	0.5
231.10150	0.5
255.08603	0.8
263.14804	0.5
273.09677	1.3
309.11679	0.8
375.64975	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.233
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.6
55.01858	0.4
55.05501	2.4
56.96556	0.3
57.03429	12.9
61.02908	2.0
67.05500	0.4
68.99760	0.3
69.03407	3.9
71.01327	0.6
71.04977	72.6
73.02891	3.5
75.04466	5.5
79.05493	0.5
81.03409	2.2
83.04969	9.7
85.02890	100.0
87.04452	1.7
89.99917	0.3
91.03886	0.4
95.08601	0.5
97.02882	5.3
99.04435	2.0
103.03886	0.5
109.02866	2.1
111.04420	4.7
120.70311	0.3
123.04391	1.6
125.09586	3.5
127.03884	5.7
129.05457	24.6
134.43854	0.3
139.03917	0.5
141.07114	0.3
144.51881	0.4
145.04906	5.5
146.08028	0.4
147.06499	13.3
153.01793	3.5
157.06381	0.4
161.05965	0.5
163.05991	1.7
164.09195	2.4
165.07515	0.5
172.73201	0.3
173.23787	0.3
179.03360	32.8
197.01143	0.4
211.16891	0.4
215.06947	1.3
229.17836	0.5
237.00580	0.5
237.07469	0.5
255.08481	1.6
259.09677	1.3
263.14752	0.8
273.09528	1.6
285.86581	0.3
309.11731	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	426.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.66375	0.3
53.03933	0.3
55.01870	0.8
55.05513	0.7
57.03440	0.3
61.02890	0.3
65.03297	0.3
65.03922	1.8
67.05479	1.7
69.03426	1.1
69.07047	3.3
70.10713	0.3
71.04955	0.5
79.05471	2.9
81.06981	0.4
85.02901	2.0
91.05463	100.0
92.08685	0.5
94.06563	0.4
95.04945	4.1
95.08584	0.7
97.02911	0.7
97.06512	17.8
100.09897	0.4
109.10175	0.6
117.03368	0.5
121.02859	0.7
133.02841	0.4
135.04359	1.4
138.05513	0.8
139.03877	1.9
139.05830	0.5
145.02832	0.8
151.18167	0.4
155.08636	0.6
159.04391	0.9
161.02299	3.1
161.05981	0.6
163.03864	7.5
165.06960	0.7
167.08492	2.5
173.02330	6.3
183.07990	0.4
185.09680	0.5
187.07565	0.4
189.05484	0.6
193.15988	0.5
195.07953	0.7
207.02824	3.2
213.09036	0.6
215.07057	8.0
233.42528	0.3
241.08653	2.1
259.09622	14.7
263.13846	0.6
264.14462	0.7
313.72528	0.4
374.74625	0.4
425.32150	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
51.27353	0.4
55.01857	4.2
55.05506	1.1
57.03425	3.9
67.05486	2.9
69.03414	1.3
69.07055	12.3
70.37113	0.6
71.04947	0.5
72.48508	0.6
79.05468	11.1
79.80247	0.6
81.07004	2.4
83.08630	0.7
85.02877	1.1
89.03886	2.6
91.05460	1.1
93.06992	0.8
95.04940	2.9
95.08598	1.2
97.06506	100.0
105.07018	1.1
107.04964	0.7
109.10122	0.8
117.03351	4.1
123.04409	4.9
124.04716	1.0
128.66457	0.7
129.06966	0.7
133.02856	1.0
135.04378	10.9
139.03871	3.3
143.04881	1.0
145.02791	7.8
147.04366	1.2
153.01833	1.0
157.06538	0.8
157.10127	0.7
159.04388	6.3
161.02298	15.6
161.05852	4.9
163.03867	48.1
165.05457	0.6
167.08499	0.9
169.06398	1.1
171.04333	1.1
171.08014	1.0
173.02307	35.9
173.05875	1.1
175.03819	1.5
185.05983	1.3
185.09618	0.7
187.03802	0.7
187.07506	1.5
189.05417	4.4
189.09103	1.4
193.05032	0.9
195.08020	3.1
197.05963	1.6
207.02855	3.8
213.05293	0.8
213.09044	2.7
215.06992	43.4
217.04938	0.9
229.12083	0.8
241.08513	4.7
259.09592	86.9
275.00012	0.8
331.11566	2.5
355.11667	1.1
358.01309	0.8
366.15201	0.7
425.21460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	426.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43794	0.2
53.03943	0.4
54.71167	0.2
55.01865	0.3
55.03574	0.2
57.03440	0.4
59.05015	0.2
59.72812	0.2
61.02910	0.8
67.46841	0.3
69.03407	1.6
69.74477	0.2
70.06584	0.3
81.03403	0.4
81.46825	0.2
84.33298	0.2
85.02888	4.8
91.05465	1.6
93.07016	3.5
94.63570	0.2
95.04948	0.5
95.08578	0.4
97.02879	1.6
97.06476	0.3
99.04374	0.2
103.05464	2.7
107.08596	0.4
109.02882	0.5
119.08576	0.2
121.06482	72.9
122.10438	0.2
127.03892	100.0
135.04405	0.3
138.09119	17.7
145.04935	0.4
147.11792	0.3
163.03874	0.9
171.89520	0.3
211.09605	0.3
289.09216	3.9
382.11780	0.3
422.85361	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3775
Annotation	Unknow
Peak:m/z	Relative Intensity
51.65897	7.6
57.07069	17.6
57.39735	8.4
66.99387	8.4
67.05489	20.5
69.07034	46.8
79.05489	16.1
79.50931	9.6
81.07016	100.0
86.70737	8.7
89.05984	24.5
93.07024	56.7
95.08564	85.7
104.10089	10.3
105.07014	24.6
107.08582	61.6
109.10147	54.1
119.08508	42.9
121.10110	67.8
121.69341	10.0
123.11681	11.0
134.82835	12.0
135.11678	23.5
145.10077	15.5
147.11679	19.8
159.11662	11.2
161.13188	11.9
188.79047	9.1
191.17920	11.5
239.14769	12.6
348.48718	11.4
361.55786	10.9
425.37735	46.2
436.88348	11.0
437.33725	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	426.1395
Annotation	Unknow
Peak:m/z	Relative Intensity
52.58183	1.0
52.59801	1.1
53.00303	1.1
53.03925	1.3
53.35799	0.9
55.01861	2.5
55.05487	1.3
55.69189	1.1
57.03429	1.5
57.49700	1.0
59.64664	1.2
65.61731	1.3
67.05502	9.0
69.03403	1.7
69.06724	1.2
69.07064	23.4
71.04950	1.3
71.73885	1.2
79.05482	14.2
81.07047	2.9
82.70159	1.3
83.04974	2.3
89.03890	6.7
91.05460	2.5
93.06999	1.9
93.50681	1.3
95.04956	6.5
95.08582	1.9
97.06508	35.6
105.07021	2.0
107.04955	2.3
109.02867	1.3
117.03377	10.3
119.08565	1.8
120.45255	1.5
123.04301	1.4
129.06943	2.2
131.04865	1.8
133.02805	2.8
133.10110	1.8
134.03618	5.7
135.04393	25.8
137.06010	1.9
139.03951	1.6
143.04881	5.1
145.02831	23.0
147.04352	2.0
149.05963	1.8
156.05667	1.4
157.06435	2.5
159.04382	2.8
160.05319	1.7
161.02284	4.9
161.05952	6.5
163.03877	100.0
167.08533	2.6
169.06403	1.3
173.02321	2.8
173.05948	1.8
184.05190	1.4
185.05882	1.8
185.09552	1.5
189.05443	8.3
189.09152	1.7
195.07982	5.0
197.05554	1.3
198.06937	1.3
199.03786	1.3
213.09084	6.7
215.07025	5.8
217.04955	12.1
227.02231	1.3
241.08549	64.5
259.09607	50.6
269.79428	1.4
279.38568	1.4
286.62747	1.4
289.10687	1.7
331.11847	2.0
362.87961	1.3
391.09695	2.3
391.14069	3.0
396.13232	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3408
Annotation	Unknow
Peak:m/z	Relative Intensity
52.01704	3.7
54.32074	3.4
55.05499	26.8
64.37418	4.4
67.05492	32.9
69.07051	36.6
71.04971	16.0
78.88332	3.9
79.05466	34.7
81.07040	97.0
81.48281	3.3
83.04964	7.3
83.08607	9.2
85.06525	5.3
89.06026	4.8
91.05460	35.6
92.08624	11.1
93.07027	100.0
94.19186	4.0
95.04944	6.8
95.08582	94.6
97.06525	9.6
97.10112	4.6
104.39796	3.8
105.07012	96.6
107.08585	70.8
109.06493	15.4
109.10138	57.0
111.08073	7.0
117.07038	9.2
119.08559	95.2
121.10110	49.1
123.11710	9.4
131.08572	29.9
133.10127	51.6
135.08038	8.3
135.11690	27.9
142.07707	6.0
143.08562	16.0
145.10110	44.1
147.11684	37.6
149.13243	42.5
157.10118	20.3
158.10822	4.1
159.11665	48.4
161.13225	25.8
163.14836	23.1
169.10114	5.6
171.11641	7.7
173.13229	16.3
175.14738	16.1
177.12752	4.4
185.13193	6.9
187.14844	19.4
189.16339	6.5
191.17998	5.3
201.16374	5.9
213.16319	6.2
215.17844	5.9
217.19456	8.6
219.38628	4.0
227.17848	4.7
229.19635	5.6
407.33005	8.3
425.34149	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	425.3409
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	2.5
54.81589	2.2
55.05307	1.5
55.05506	24.3
55.75182	1.8
57.07059	8.2
59.05000	2.2
67.05495	33.0
69.07053	41.9
71.04988	16.0
75.29716	2.6
79.05470	34.6
81.06596	4.3
81.07037	84.3
83.08588	10.6
85.06544	3.2
88.86546	2.3
89.06005	3.7
91.05451	36.9
93.07021	98.1
95.04922	10.9
95.08582	83.3
97.06503	22.3
97.10123	2.3
105.07006	100.0
107.08569	62.5
109.06498	14.1
109.10135	37.0
111.08035	9.4
117.06989	15.5
119.08556	84.0
121.10115	44.3
123.08042	3.9
123.11687	12.4
125.05970	2.8
129.07019	4.3
130.07748	2.4
131.08519	26.6
133.10115	39.0
135.11638	23.6
142.07776	4.3
142.20341	2.8
143.08527	17.0
145.10141	39.6
147.11661	33.0
149.09612	3.1
149.13229	17.8
150.10538	2.3
157.10155	20.0
159.11679	36.1
161.13197	18.6
163.14803	9.0
169.10118	4.9
171.11636	12.1
173.13239	14.7
175.14784	8.5
177.16367	2.8
183.11656	3.3
185.13261	13.7
187.14818	12.5
189.16373	11.4
199.14809	9.6
201.16386	9.8
203.14417	3.1
213.16307	9.4
215.18001	8.9
222.44110	2.2
262.31778	2.1
274.56830	2.5
407.33105	9.4
425.29852	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3411
Annotation	alpha-Tocotrienol
Peak:m/z	Relative Intensity
52.86647	0.2
54.11138	0.3
55.05498	1.4
57.07064	0.2
57.59694	0.2
66.25072	0.2
67.05492	5.2
69.03401	0.3
69.07068	1.9
79.05476	2.3
80.83865	0.2
81.07040	11.4
83.04959	0.4
83.08588	0.4
91.05457	1.0
93.07025	2.9
95.04943	0.4
95.08590	7.1
97.06505	0.8
105.06995	1.3
107.04918	0.3
107.08570	2.6
109.06517	0.4
109.10140	8.5
117.07056	0.2
119.08569	3.6
121.10131	1.2
122.07274	1.7
123.08016	0.4
123.11682	1.1
125.09606	0.2
133.10075	0.3
135.04425	0.3
135.08014	0.5
135.11646	0.5
137.05965	0.3
137.09598	14.1
137.13182	0.3
140.66795	0.2
147.04356	0.4
147.08054	0.2
147.11772	0.3
149.09595	1.6
149.13274	0.3
151.07538	0.3
159.11665	0.5
161.05896	0.3
161.09489	0.2
163.03894	1.0
163.07568	0.4
163.11095	0.3
165.09082	100.0
166.09413	0.4
177.09117	0.5
179.10599	0.5
180.31015	0.2
189.09010	1.0
190.09802	0.5
191.10599	0.4
203.10696	0.4
205.12210	4.2
215.07002	0.4
237.07436	0.3
251.56305	0.2
259.09656	1.3
261.25806	0.3
361.02103	0.4
385.27155	0.2
425.34122	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.3412
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	25.8
57.07062	7.0
67.05490	32.6
69.07050	23.1
71.04976	16.1
79.05470	36.6
81.07037	84.9
83.08621	7.6
89.06017	19.1
91.05475	33.9
92.08971	24.1
93.07027	67.0
95.04971	17.9
95.08588	72.3
97.06493	8.4
105.07016	92.5
105.07681	6.9
107.08570	41.7
109.06507	4.5
109.10155	35.0
117.07030	19.6
117.54829	3.8
119.08569	100.0
121.10157	26.9
122.81653	4.3
123.08083	5.8
123.11713	17.9
130.07809	4.4
131.08542	31.8
133.10135	24.2
135.11655	8.7
135.14500	3.9
139.95764	4.5
143.08575	9.7
144.01019	4.0
145.10115	42.7
147.11708	18.7
149.13280	4.4
157.10129	21.1
159.11655	43.7
161.13251	7.9
169.10040	6.3
171.11760	5.1
173.13260	21.2
185.13257	4.3
187.14847	7.6
189.16357	5.0
199.14728	5.6
215.64067	4.0
215.95071	3.8
239.14867	5.9
356.19409	3.9
407.38989	5.9
432.94363	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	425.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.5
55.01848	1.8
55.05489	1.4
59.85477	0.3
67.05486	3.2
68.99765	0.5
69.03397	0.6
69.07035	0.8
70.19966	0.4
79.05471	2.5
81.03391	5.3
81.07040	8.0
83.04948	0.6
84.63148	0.3
91.05462	3.1
92.09328	0.7
93.07001	2.3
95.04939	3.4
95.08575	5.8
97.06505	0.7
99.35297	0.3
103.05453	4.5
105.06995	1.9
105.08482	0.3
107.04936	6.9
107.08573	1.6
109.02137	0.6
109.02857	14.8
109.06519	0.7
109.10135	5.4
110.03655	0.3
112.31110	0.3
115.05390	1.4
117.06991	0.5
119.08553	3.5
120.26001	0.3
121.02798	0.3
121.06496	0.5
121.10098	1.4
122.07274	0.8
123.04377	2.4
124.05161	2.4
125.05972	0.6
128.06215	0.5
129.06941	0.6
131.04906	8.5
131.08513	1.9
132.05768	0.4
133.10139	0.4
135.04379	4.4
135.08061	0.7
135.11598	0.8
137.05931	4.9
137.09592	9.7
138.06708	0.6
139.03906	0.4
141.06944	1.5
144.05678	2.1
145.06438	1.5
147.04373	1.4
147.08015	1.8
149.05923	0.8
149.09601	0.7
149.13222	0.4
151.03899	3.0
151.07510	5.2
153.05438	1.5
155.04816	0.4
156.05627	0.5
157.06448	0.6
159.07988	2.5
159.55112	0.4
160.05162	0.8
161.02341	0.4
161.05946	5.8
162.06702	0.4
163.07526	1.9
165.05472	2.8
165.09073	69.3
167.06972	1.8
169.04939	0.8
169.06380	0.7
171.07932	0.4
172.05211	1.3
173.05956	1.5
173.09572	0.4
175.07509	23.6
177.05447	0.8
177.09079	0.5
183.04300	0.6
184.05157	1.7
185.05981	0.5
187.07492	8.6
188.08365	0.4
189.05476	3.5
189.09114	0.7
189.12730	0.4
190.09871	0.5
197.05927	1.3
198.06717	0.8
200.04681	3.5
201.05499	1.3
201.09059	0.7
201.30919	0.4
204.07816	0.5
205.08568	0.6
205.12218	3.2
214.06219	0.5
215.06998	12.4
216.07866	0.5
217.04892	1.4
219.10175	0.7
221.08076	2.5
228.04095	2.9
229.04904	2.0
229.08696	0.6
232.07355	0.8
243.06450	6.2
245.04436	0.7
247.09599	0.8
260.06937	0.5
265.65210	0.4
269.08109	0.4
271.09470	0.5
275.09070	100.0
275.86862	0.3
276.09387	0.5
285.80603	0.3
293.55804	0.4
301.10663	1.5
414.93961	0.4
425.34061	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1407
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72005	0.7
53.03918	1.7
55.01843	3.6
55.05501	20.6
56.05815	1.7
56.96567	0.8
57.03423	7.1
57.07051	3.6
58.70926	0.7
59.04979	1.7
61.02902	3.5
61.58807	0.8
61.94809	0.8
67.05486	6.6
68.05792	1.0
69.03136	0.6
69.03416	9.3
69.07049	27.0
69.07426	1.0
70.07358	3.9
71.04968	12.6
71.08566	1.2
73.06519	1.1
78.36087	0.8
79.05458	11.1
80.05798	1.1
81.03360	3.7
81.07034	54.5
82.07356	8.8
82.53870	0.8
83.04527	1.1
83.04960	24.3
83.08603	13.5
84.05270	2.1
84.08929	3.4
85.02420	1.1
85.02885	22.6
85.06490	5.8
87.04432	1.1
91.05452	13.0
93.06419	1.2
93.07015	40.6
94.07349	6.6
95.04942	46.5
95.08583	22.1
96.05236	5.0
96.08894	5.9
97.02883	6.6
97.06493	13.1
97.10120	1.8
99.04429	10.6
99.08073	15.4
100.04711	1.5
100.08348	1.2
105.07011	14.9
106.07319	1.8
107.08570	57.3
108.08894	10.9
109.06510	12.4
109.10140	25.7
110.06861	1.0
110.10439	5.1
111.08065	13.6
111.11607	0.8
112.08372	2.1
113.09586	1.7
115.07484	3.4
117.06998	1.5
119.08555	14.9
120.08893	3.6
121.06468	8.6
121.10109	47.4
122.09669	1.2
122.10436	15.5
123.04407	1.3
123.08044	9.7
123.11691	11.2
124.08337	1.1
124.11993	1.8
125.05901	1.9
125.09557	4.1
127.03857	4.3
127.07514	10.8
131.08514	8.4
132.08836	1.7
133.10104	22.4
134.10445	6.9
135.08049	11.1
135.11650	24.1
136.08327	1.4
136.11981	6.5
137.02299	1.5
137.09555	4.9
137.13261	1.1
139.07506	1.3
139.11171	6.4
143.08527	1.5
145.10094	6.2
146.10468	1.3
147.04390	2.0
147.11647	19.9
148.11914	5.0
149.09613	6.7
149.13228	27.1
150.09872	1.8
150.13548	8.8
151.11136	11.3
152.11440	3.6
153.09100	11.6
153.12672	3.7
154.09361	2.0
158.10846	5.2
162.09869	0.9
163.14795	15.7
164.15100	8.4
165.12704	17.7
166.13063	7.4
167.14282	15.4
168.14590	5.0
173.13220	17.4
174.13574	6.0
191.14264	44.3
192.14578	16.3
209.15321	98.8
210.13680	1.3
210.15663	40.6
215.07095	1.1
227.12898	1.1
227.16364	44.7
228.13194	1.4
228.16696	22.8
237.02850	1.1
425.13965	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	425.1137
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24698	1.0
56.96545	1.3
65.15032	1.0
68.84170	1.3
82.99863	1.4
95.53049	1.5
97.02888	2.3
98.97576	2.3
101.00861	18.9
109.02855	1.5
113.00846	2.0
119.01892	50.9
131.01854	20.1
133.03470	1.2
136.02017	1.3
137.02934	5.9
143.01883	37.7
145.03432	20.7
147.01326	2.4
147.05011	1.4
149.02992	1.4
155.01869	21.6
157.03439	12.2
161.02922	100.0
163.04520	2.4
167.01840	10.5
169.03462	2.7
171.04999	4.7
173.02927	37.4
175.04472	6.1
179.01920	5.5
179.03867	1.8
184.04547	1.5
185.02924	60.6
187.01146	1.3
187.04480	8.1
191.03996	8.3
197.02928	27.2
201.06070	1.6
203.03975	20.3
209.02940	1.7
215.03981	11.6
219.01778	1.5
221.05060	2.3
227.03943	7.6
231.66805	1.5
233.84872	1.3
239.03889	1.5
245.04990	92.1
246.49139	1.4
257.04901	2.9
263.06049	23.9
269.05170	1.4
275.05969	10.0
293.07211	1.9
305.07025	7.0
365.09119	5.9
425.06076	3.2
425.11694	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05493	19.1
57.03436	5.4
57.07064	6.7
67.05492	54.8
69.03412	5.8
69.07056	48.8
71.04987	11.4
71.08622	6.3
73.02900	5.3
73.24940	2.6
75.78794	2.9
79.05472	15.7
81.03419	4.3
81.07042	100.0
83.04948	7.0
83.08603	22.3
85.02891	59.0
85.06531	19.7
91.05453	19.0
91.36991	3.4
93.07032	41.0
95.08592	51.0
97.02901	4.3
97.06528	32.4
99.04436	5.7
101.02348	17.0
105.07014	21.1
107.08578	22.6
109.06493	15.1
109.10143	6.2
109.94152	3.0
111.08028	6.2
117.07001	7.9
119.08569	6.8
121.10143	27.9
123.08032	5.6
123.11683	45.6
127.07523	11.8
131.08545	18.5
133.10098	17.0
135.11653	33.9
137.06007	11.3
137.13223	5.4
147.11665	47.8
149.13281	40.6
155.14270	6.3
157.08255	3.3
159.11691	36.3
161.02295	7.6
163.03886	15.6
165.12776	33.0
173.02278	4.9
177.12753	14.3
183.13765	75.6
195.13783	54.9
201.14825	64.7
207.02895	7.6
209.15334	6.4
213.14815	44.6
215.07066	14.0
241.08601	12.5
246.80739	3.2
259.09683	13.5
346.08160	3.0
404.66898	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	424.254
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	3.0
55.05493	19.1
57.03436	5.4
57.07064	6.7
67.05492	54.8
69.03412	5.8
69.07056	48.8
71.04987	11.4
71.08622	6.3
73.02900	5.3
73.24940	2.6
75.78794	2.9
79.05472	15.7
81.03419	4.3
81.07042	100.0
83.04948	7.0
83.08603	22.3
85.02891	59.0
85.06531	19.7
91.05453	19.0
91.36991	3.4
93.07032	41.0
95.08592	51.0
97.02901	4.3
97.06528	32.4
99.04436	5.7
101.02348	17.0
105.07014	21.1
107.08578	22.6
109.06493	15.1
109.10143	6.2
109.94152	3.0
111.08028	6.2
117.07001	7.9
119.08569	6.8
121.10143	27.9
123.08032	5.6
123.11683	45.6
127.07523	11.8
131.08545	18.5
133.10098	17.0
135.11653	33.9
137.06007	11.3
137.13223	5.4
147.11665	47.8
149.13281	40.6
155.14270	6.3
157.08255	3.3
159.11691	36.3
161.02295	7.6
163.03886	15.6
165.12776	33.0
173.02278	4.9
177.12753	14.3
183.13765	75.6
195.13783	54.9
201.14825	64.7
207.02895	7.6
209.15334	6.4
213.14815	44.6
215.07066	14.0
241.08601	12.5
246.80739	3.2
259.09683	13.5
346.08160	3.0
404.66898	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	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03912	1.1
55.01858	1.1
55.05502	22.8
56.96528	0.9
57.03421	5.7
57.07050	1.1
60.14294	0.8
60.61916	0.8
61.71213	0.9
63.49055	1.0
67.05492	8.6
69.03407	9.7
69.07056	8.3
70.06566	1.6
71.04969	10.9
79.05476	6.5
81.03404	1.5
81.07034	24.0
83.04935	8.8
83.08604	1.8
85.02879	12.4
85.06512	4.6
91.05459	15.4
93.07012	29.4
95.04952	6.3
95.08568	18.4
97.02869	2.3
97.06517	4.9
98.97534	1.2
99.04443	10.5
105.07004	39.7
107.04922	4.5
107.08575	27.7
109.06506	5.3
109.10133	22.0
111.08059	2.3
112.91289	1.2
116.98643	1.1
117.06989	2.1
119.08551	43.9
120.08081	3.9
121.06528	1.4
121.08445	1.7
121.10097	18.6
123.04408	1.2
123.08039	5.0
123.11663	4.8
125.09618	4.7
127.03868	2.1
131.08540	5.7
133.10097	38.4
135.08023	4.0
135.11673	5.8
137.09578	1.7
139.03894	5.1
139.11151	5.1
141.78905	1.0
145.10068	2.0
147.11670	6.3
149.09546	1.9
149.13240	15.3
149.93443	1.1
151.11137	22.7
155.08540	2.5
159.11656	1.4
161.13219	100.0
163.11177	2.1
163.14760	7.9
165.12735	5.4
173.09628	1.6
173.13231	5.4
179.14262	2.5
191.10721	6.3
191.14279	33.7
197.15326	1.2
209.11674	5.1
209.15311	28.2
227.12871	8.5
227.16383	26.7
245.13791	1.5
285.10162	1.3
437.17303	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2536
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38087	0.9
53.03925	1.2
55.05503	33.9
57.03416	5.4
57.07066	2.2
59.04998	1.8
60.46634	1.0
61.02898	1.6
62.04226	1.0
67.05489	10.0
67.12086	1.2
69.03407	6.8
69.07059	9.1
71.04960	6.2
77.95361	1.0
79.05467	6.5
81.03403	1.5
81.07035	19.6
83.04967	24.1
83.08602	28.4
85.02882	22.1
85.06525	4.7
91.05456	7.0
93.07030	15.4
95.04954	22.6
95.08593	12.1
97.02860	5.7
97.06516	14.1
97.10141	6.4
99.04428	6.1
105.07011	13.8
107.08577	34.6
109.02879	1.7
109.06507	30.7
109.10143	30.5
111.08070	9.4
113.09603	1.5
117.06961	1.2
119.08552	10.6
121.10114	31.7
123.08009	4.3
123.11641	9.8
125.09582	7.0
127.03872	1.7
127.07436	1.4
131.08539	17.4
133.10109	51.3
135.08040	5.9
135.11679	8.0
139.11163	1.7
143.08421	1.4
145.04961	1.2
145.10095	6.1
147.11661	9.3
149.13245	14.5
151.11147	29.9
153.09102	9.5
158.10883	5.0
163.14827	5.9
167.14288	29.8
173.13234	23.4
191.14285	24.5
209.15329	100.0
227.16362	13.8
257.46243	1.1
259.39471	1.3
265.89813	1.3
282.42764	1.5
316.22589	1.3
328.36874	1.2
353.19321	1.3
373.49661	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
55.05499	36.1
57.03410	0.7
57.07058	1.5
58.35187	0.3
59.04972	2.1
67.05476	2.7
69.03413	2.8
69.07049	4.7
71.04967	3.2
79.05456	2.6
81.03394	0.7
81.07030	6.4
83.04957	15.0
83.08595	30.6
85.02882	4.2
85.06533	3.0
91.05458	2.4
92.08611	0.7
93.07018	8.7
95.04941	9.9
95.08572	6.3
97.02845	0.8
97.06501	5.7
97.10146	5.9
99.04425	2.3
99.08082	0.8
105.07005	3.6
106.60379	0.4
107.08564	15.5
109.06478	5.4
109.10133	16.7
111.08050	5.8
112.08825	0.5
113.09589	0.8
115.07498	0.6
119.08555	2.7
121.09243	0.8
121.10113	19.4
123.04411	0.4
123.07977	0.9
123.11661	6.0
125.09583	6.3
127.03877	0.5
131.08539	2.1
133.10098	7.6
135.07993	0.8
135.11618	0.7
137.09567	0.5
139.11160	8.0
145.10074	1.0
147.11668	2.2
149.13231	5.0
151.11147	33.5
153.09058	3.7
158.10835	0.6
163.03857	0.8
163.14767	3.3
167.14267	39.3
173.13164	3.0
175.14865	0.7
191.10478	0.5
191.14246	4.3
193.48685	0.4
196.23575	0.4
209.15318	100.0
227.12750	0.6
227.16405	4.9
264.00241	0.4
322.87360	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01858	4.3
55.05510	17.0
55.75273	1.5
57.03418	10.8
57.07061	3.8
59.05006	4.4
61.02898	2.7
67.05479	17.3
69.03412	28.4
69.07054	20.2
71.04977	18.7
73.02899	2.0
75.21634	1.7
79.05472	13.8
81.03381	13.0
81.06592	3.4
81.07035	69.0
83.04967	38.0
83.08585	9.7
85.02885	41.9
85.06527	21.7
86.09737	1.8
87.00794	4.8
91.05450	9.9
91.51415	1.8
92.08629	5.6
93.07014	42.5
94.04465	1.8
95.04937	12.7
95.08578	52.7
97.02856	17.8
97.06522	17.3
97.10114	2.2
99.04421	18.3
99.08074	18.8
105.01832	7.7
105.07003	13.6
107.04939	17.7
107.08574	59.9
109.02835	4.3
109.06511	13.9
109.10125	36.1
111.04427	2.7
111.08079	15.2
113.05895	9.0
113.09612	13.8
115.03917	2.3
115.07558	2.3
119.08563	11.1
121.06490	8.0
121.10119	44.7
123.04389	4.5
123.08039	17.9
123.11674	30.0
125.09623	17.1
127.03904	11.0
127.07532	34.0
127.11176	3.3
129.06985	2.0
131.08521	4.3
133.10098	19.6
135.08038	12.5
135.11659	41.8
137.05907	2.0
137.09572	4.4
137.13248	2.2
139.03885	2.9
139.11168	4.6
141.09111	3.7
145.04881	3.8
145.10062	4.6
147.11673	14.1
149.09602	8.5
149.13234	32.6
151.11194	15.6
153.07018	2.2
153.09108	15.5
153.12711	4.7
155.08583	2.7
155.10687	2.6
161.05981	4.3
163.11118	3.6
163.14796	12.8
165.12729	7.5
167.10617	3.7
167.14250	7.6
169.06538	2.8
169.12108	3.8
173.05898	2.7
173.13194	19.9
181.12213	2.3
183.08066	2.0
183.13756	2.4
191.14250	33.9
197.31174	2.2
209.12097	2.5
209.15335	100.0
211.07436	4.0
227.12840	5.7
227.16388	61.0
229.08546	3.9
245.17398	16.6
261.07315	8.1
262.07611	16.0
329.15598	2.2
335.14905	2.2
422.68317	2.1
423.93039	2.1
424.12781	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	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	33.9
57.03422	2.8
57.07061	2.1
59.04983	2.2
63.67393	1.5
65.03955	1.4
67.05497	6.3
69.03409	5.2
69.07051	8.5
71.04980	6.5
79.05461	5.7
81.03409	1.3
81.07032	18.0
83.04961	26.2
83.08598	24.4
85.02901	15.0
85.06544	6.1
91.05459	6.8
93.07030	17.0
95.04938	26.8
95.08563	12.8
97.02865	2.9
97.06510	16.5
97.10147	2.1
99.04447	7.6
99.08060	2.7
105.07021	13.0
107.08566	27.3
109.06501	20.0
109.10137	19.6
111.08082	6.9
113.05952	1.3
115.07561	2.7
119.08536	12.0
121.06469	1.8
121.10117	39.1
123.07979	3.2
123.11685	8.8
125.09604	6.0
127.03905	1.9
127.07508	1.4
131.08551	13.5
133.10098	41.4
135.08006	2.9
135.11678	8.5
135.39513	1.6
139.11200	12.3
145.10129	7.3
147.11676	11.9
149.09615	5.5
149.13260	14.4
151.11154	28.9
153.09056	7.4
158.10861	1.7
163.14784	6.9
165.12735	2.4
167.10637	2.0
167.14281	35.8
173.13237	19.8
175.14755	2.9
191.14238	18.7
206.04494	1.6
209.11757	6.6
209.15335	100.0
227.12779	5.3
227.16354	15.7
309.57178	1.3
318.27463	1.5
365.05142	1.9
426.52292	1.5
435.17383	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.2537
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.3
55.05502	29.4
57.03411	2.7
57.07058	2.4
59.04992	2.1
67.05483	5.9
69.03412	8.1
69.07050	8.3
71.04972	4.8
79.05488	8.5
81.03405	1.4
81.07034	18.1
83.04964	22.1
83.08598	24.2
85.02892	20.0
85.06525	5.5
88.78633	1.2
91.05458	7.8
93.07020	18.0
95.04954	23.7
95.08582	10.5
97.02872	5.0
97.06488	9.9
97.10158	2.8
97.93602	1.0
99.04456	2.1
99.08063	2.0
105.07005	17.6
106.20655	1.1
107.08562	28.2
109.06491	25.0
109.10144	29.6
110.12119	1.3
111.08054	6.4
113.09631	1.5
115.07520	2.3
117.06955	1.7
119.08568	10.8
119.50089	1.2
121.10122	34.0
123.08041	2.7
123.11678	7.8
125.09594	12.1
127.03852	2.0
131.08562	10.3
133.10095	46.7
135.08000	5.7
135.11656	9.0
137.09425	1.2
143.08571	1.8
145.10115	2.7
147.11603	9.8
149.13280	13.8
151.11177	22.7
153.09120	12.5
158.10851	5.3
163.14793	6.5
167.14270	29.6
167.15572	1.8
173.13226	29.0
191.14278	30.1
209.15329	100.0
227.16365	14.0
260.10245	1.4
277.22583	1.2
278.11270	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	424.2538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	3.3
55.01857	3.5
55.05507	24.0
57.03419	5.6
57.07072	3.3
59.04983	3.5
59.42929	2.7
61.02890	3.8
66.83947	2.4
67.05493	21.8
69.03410	17.7
69.07062	38.2
70.06570	5.8
71.04980	22.9
74.55994	2.6
79.05482	20.2
81.03403	11.3
81.07039	44.2
83.04964	17.3
83.08597	13.4
84.24448	2.8
85.02893	36.8
85.06533	21.8
86.09699	3.3
91.05462	11.2
92.08691	5.0
93.07018	54.4
95.04944	14.9
95.08597	44.3
97.02864	4.8
97.06516	13.8
97.10129	2.5
99.04434	20.1
99.08085	16.8
101.06016	5.3
105.07014	24.1
107.04881	3.2
107.08569	73.0
109.02879	4.1
109.06513	13.8
109.10152	46.3
111.04404	2.7
111.08109	12.2
111.11708	4.3
119.01880	4.2
119.04955	4.5
119.08557	15.5
121.02849	6.7
121.06448	4.9
121.10116	57.4
123.08019	21.9
123.11687	15.8
125.05994	4.8
125.09613	30.7
127.03893	5.2
127.07520	11.6
131.08543	11.2
133.10103	26.1
135.08034	6.5
135.11691	23.0
137.05959	4.1
137.09602	5.6
139.07545	3.7
139.11131	6.6
141.09048	3.9
147.04398	5.5
147.11656	19.9
149.09607	4.9
149.13252	21.5
151.11157	46.4
153.09120	6.5
153.12778	23.5
155.08656	4.3
158.10886	3.0
158.54182	3.0
161.13266	5.9
163.11165	3.2
163.14835	17.3
165.12747	13.6
167.03406	18.1
167.10680	5.6
173.13243	14.5
181.12215	3.5
183.08102	4.5
183.13849	5.4
191.14249	26.0
197.08125	3.3
203.05164	4.6
208.00081	3.0
209.11729	4.0
209.15343	100.0
211.07571	5.8
217.40889	2.8
225.14929	3.2
227.12727	12.8
227.16351	40.0
229.08685	4.1
233.34004	3.2
245.13803	2.8
245.17418	4.5
424.16379	12.5
425.13992	3.0
448.44308	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	424.2535
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01876	0.8
55.05502	19.4
57.03415	5.7
57.07059	1.9
59.04981	1.4
61.02913	1.8
67.05489	6.1
69.03421	5.5
69.07050	19.0
71.04970	8.1
79.05473	6.3
81.03396	3.9
81.07036	39.9
83.04964	23.3
83.08605	15.6
85.02880	13.9
85.06521	4.0
90.82337	0.7
91.05466	7.1
93.07021	27.8
95.04943	49.4
95.08006	1.2
95.08583	18.0
95.81143	0.7
96.80591	0.7
97.02866	3.9
97.06487	7.3
97.10119	3.1
99.04425	14.2
99.08077	7.6
101.05998	1.4
105.07018	11.3
107.08574	51.3
109.02835	1.2
109.06502	9.8
109.10135	21.8
111.08057	11.4
111.11680	1.0
113.09590	1.6
115.07525	1.7
117.07007	1.0
119.08571	10.8
119.58432	0.7
121.06460	6.9
121.10117	45.8
123.08009	6.9
123.11688	7.1
125.05946	0.8
125.09587	4.7
127.03890	3.1
127.07533	9.0
131.08517	6.3
133.10103	22.2
135.08017	9.0
135.11659	21.1
137.09592	3.7
137.13170	1.3
139.07555	1.0
139.11136	3.6
143.08511	0.9
145.04907	1.4
145.10077	5.4
147.11670	13.6
149.09596	3.6
149.13229	23.4
151.11180	15.7
151.12383	1.3
153.09082	15.4
153.12729	3.1
158.10898	3.2
163.14804	14.2
165.12718	15.0
167.10689	0.9
167.14256	17.4
173.13206	16.5
191.14267	40.2
209.15327	100.0
227.12741	3.0
227.16373	42.6
245.13760	0.9
297.29556	0.9
326.68591	1.1
371.20749	1.2
425.14395	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.9
53.31414	0.7
55.01856	3.4
55.05483	0.9
56.96542	0.8
57.03426	1.5
61.02898	4.4
64.33253	0.8
69.03406	7.0
70.06570	3.9
71.04982	1.1
73.02910	1.8
79.05476	1.6
81.03397	4.8
81.07024	4.6
85.02886	27.2
88.11241	1.0
89.03895	1.5
91.05452	18.2
93.07029	10.1
95.04918	4.6
95.08568	1.1
97.02862	6.1
97.06519	1.8
98.03144	0.9
98.97543	0.9
99.04402	1.0
103.05446	15.9
105.03377	3.5
105.06981	3.4
107.04923	9.7
107.08544	2.0
109.06506	10.6
112.07628	2.6
117.03346	5.2
119.04911	7.2
119.08561	1.2
121.06483	26.9
121.10107	9.5
123.04419	1.7
123.11724	1.3
124.05141	1.4
127.03884	9.1
130.05019	0.8
131.04906	24.0
131.08551	1.1
133.02823	38.7
133.06546	0.9
133.10081	4.4
134.03612	3.2
135.04382	5.4
137.05948	25.4
140.04582	1.1
145.02821	7.2
145.04959	1.6
147.04378	5.0
147.11650	3.3
148.05130	7.9
149.05952	48.2
152.92429	0.7
153.01770	1.8
153.05457	1.2
153.08995	0.9
155.07005	0.8
158.08113	1.2
159.04372	15.8
160.98924	0.8
162.03168	1.1
163.03830	5.8
163.07495	2.0
165.05428	26.6
166.06239	1.7
167.06992	62.0
173.13190	1.5
176.04665	4.0
177.05423	100.0
177.34618	0.8
178.06288	1.1
181.04854	0.9
181.08528	4.3
182.05681	3.9
191.06990	6.9
191.14281	2.0
194.05707	5.3
197.08031	38.3
209.08044	71.1
209.15292	4.3
227.09088	29.2
227.12708	1.0
227.16229	3.0
237.02869	1.2
262.07275	1.2
292.67639	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	0.5
55.01852	1.3
55.05499	0.3
57.03416	1.0
61.02907	2.0
67.05499	0.2
69.03410	2.8
69.85159	0.2
70.06576	1.1
71.04955	0.4
73.02887	0.6
73.06525	0.3
74.90673	0.2
75.48618	0.3
78.04662	0.4
79.05463	1.3
81.03382	1.5
83.05005	0.3
84.04480	1.1
85.02885	9.6
86.09676	0.5
87.04446	0.3
89.03909	0.3
91.05454	3.7
93.07030	3.3
95.04936	1.2
97.02877	3.3
98.97536	0.4
103.05437	5.4
105.06982	0.4
106.04131	0.5
107.04930	2.7
109.02850	1.1
109.06509	0.6
116.98557	0.3
117.03337	0.5
119.04914	1.2
121.06480	11.6
123.04409	3.6
123.58036	0.3
124.05182	1.2
127.03888	0.4
131.04906	5.6
133.02838	0.7
134.03592	1.6
134.05945	0.5
135.04393	1.2
137.05962	9.7
140.03648	0.3
140.04657	2.6
145.02806	1.8
145.04941	0.5
146.06015	0.6
146.74796	0.3
147.04431	0.7
148.05167	3.2
149.05952	15.4
151.03896	0.9
152.04601	1.1
155.06967	1.2
159.04372	4.6
162.03125	0.5
162.05421	1.5
163.03879	0.6
163.07513	0.7
165.05452	1.2
167.06998	100.0
168.07239	0.4
171.01062	0.6
172.01431	0.4
173.00673	1.8
176.04683	1.4
177.05429	29.5
179.06975	0.4
181.08565	1.7
182.05611	0.4
191.07021	1.6
193.08562	0.6
194.05739	1.6
195.06480	0.5
204.06526	1.2
209.08047	15.7
211.09622	1.7
221.09230	0.3
227.09099	31.7
237.02736	0.4
298.59686	0.3
334.59518	0.3
360.27023	0.3
405.18655	0.3
409.12805	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00677	0.2
54.81580	0.3
55.01852	0.7
55.46935	0.3
57.03403	0.6
61.02900	1.2
63.31435	0.3
69.03413	2.8
73.02896	0.6
76.39758	0.3
78.04718	0.5
79.05462	0.7
81.03397	1.7
85.02892	7.4
86.09715	0.5
89.03879	0.5
91.05460	4.1
93.07015	3.0
95.04921	1.6
95.61575	0.3
97.02860	2.8
98.97565	0.3
103.05446	5.9
106.04136	0.5
107.04930	2.6
107.42500	0.3
109.02872	0.6
109.06487	0.4
117.03345	0.7
119.04916	1.2
121.06484	10.2
123.04408	2.6
124.05197	0.5
127.03898	0.5
131.04897	7.2
133.02821	1.5
133.06441	0.4
134.03578	1.4
135.04443	0.6
137.05954	7.9
140.04672	2.1
145.02814	1.1
145.04980	0.4
147.04399	1.5
148.05188	2.0
149.05960	13.8
151.03905	0.4
152.04668	1.3
155.07024	1.4
159.04396	4.0
161.68047	0.3
163.03854	1.3
163.07541	0.5
165.05434	1.6
166.06203	0.5
167.06999	100.0
176.04697	0.5
177.05428	29.6
178.06224	0.5
180.07729	0.4
181.08553	1.3
191.06967	1.4
192.15002	0.3
193.08662	0.3
194.05621	1.2
195.06400	0.4
197.08083	0.7
204.06487	0.6
209.08061	13.7
211.09586	1.2
227.09102	28.9
443.10635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.1811
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	5.5
55.01876	0.8
55.05505	7.0
57.03173	0.8
57.03428	14.0
58.00684	0.5
59.04996	1.3
61.02916	1.2
62.58461	0.6
67.05480	0.7
69.03435	1.9
71.04977	97.9
73.02900	2.9
75.04460	3.6
81.03400	98.5
81.07030	0.8
83.04958	8.9
83.08601	2.8
85.02891	100.0
87.04443	2.2
93.07029	1.0
95.04955	11.0
95.08628	1.1
97.02862	3.4
97.06474	0.7
97.53007	0.6
99.04439	2.7
101.84160	0.5
107.04890	0.8
107.08598	2.5
109.10138	2.4
111.04446	2.6
121.10136	5.7
123.04409	6.9
123.11659	0.6
127.03910	1.2
129.05450	22.4
133.10095	1.3
135.04352	0.6
139.11156	3.7
146.08159	0.7
147.04405	1.3
147.06512	11.5
151.11183	3.2
158.73610	0.7
163.07524	1.0
164.09106	4.6
167.14310	5.4
173.13159	0.7
190.06386	0.7
191.07001	0.7
191.14366	1.0
209.08066	3.4
209.15329	13.0
227.09035	2.6
255.08607	0.7
426.54581	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	424.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.1
53.38282	0.0
55.01850	0.1
57.03420	0.3
61.02907	0.5
65.03921	1.0
68.63347	0.1
69.03414	0.9
69.07052	0.1
71.04971	0.1
71.77464	0.1
73.02917	0.1
74.11020	0.1
76.56997	0.1
81.03397	0.3
81.07045	0.1
81.66659	0.1
85.02887	2.6
91.05461	100.0
92.05769	0.5
92.08677	0.1
95.04939	0.1
95.08601	0.1
97.02872	0.7
97.06539	0.1
107.08592	0.1
109.02869	0.3
121.10142	0.1
127.03890	0.4
135.04378	0.1
137.02324	0.3
144.76195	0.1
145.04980	0.1
163.03844	0.1
167.03366	0.3
174.03978	0.1
194.20398	0.1
195.07948	0.1
228.54143	0.1
245.08044	0.9
259.09671	0.1
378.81964	0.1
425.38913	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	424.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12419	0.1
55.01849	0.2
55.05484	0.1
56.69263	0.1
57.03429	0.3
57.86257	0.1
61.02908	0.7
65.03909	1.0
67.05490	0.2
69.03412	1.4
69.07056	0.2
71.04984	0.1
81.03391	0.7
81.07053	0.6
83.08590	0.3
85.02885	3.5
91.05460	100.0
92.05795	0.3
93.07040	0.2
95.04984	0.2
95.08587	0.3
97.02882	1.2
97.06500	0.2
99.04459	0.1
105.42071	0.1
107.04915	1.1
107.08565	0.2
109.02850	0.2
109.10146	0.6
111.08072	0.2
121.06424	0.2
121.10113	0.2
123.04431	0.2
127.03841	0.1
133.10132	0.2
135.08032	0.1
137.02348	0.5
145.04919	0.2
148.32367	0.1
163.03778	0.1
167.03395	0.2
167.07028	0.1
173.06001	0.2
197.61584	0.1
243.06201	0.1
245.08067	2.7
269.08136	0.2
293.08072	0.2
422.67365	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	424.0245
Annotation	Unknow
Peak:m/z	Relative Intensity
52.88025	0.3
56.90333	0.3
56.96556	8.0
57.71085	0.3
59.10730	0.3
60.59592	0.3
71.95254	0.4
76.46489	0.3
92.08765	0.4
92.44192	0.3
98.97556	99.5
116.98592	86.1
121.99191	0.4
134.99625	38.4
140.00159	0.4
148.94852	0.3
153.00685	4.7
158.01367	0.6
180.87775	0.3
216.98611	0.5
219.01913	0.3
234.99661	2.4
240.98520	4.3
242.14400	0.4
248.74965	0.3
258.99686	49.6
259.99799	1.3
261.03101	1.4
274.97516	0.7
277.00742	100.0
278.00949	1.9
279.01028	0.7
282.01349	0.7
282.99902	1.5
292.98611	0.5
295.01779	1.7
298.97360	0.3
300.02380	1.9
301.00943	3.8
303.00903	0.6
316.98740	0.6
358.99762	0.5
363.35147	0.3
382.99677	4.3
401.00906	19.4
419.01898	7.9
443.01993	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.3467
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	11.8
57.07063	13.7
65.03930	2.1
67.05495	37.7
68.56194	1.8
69.07053	26.6
71.04965	11.5
71.08596	8.6
71.42358	1.8
71.46605	2.0
79.05470	3.0
81.07031	21.5
83.08617	15.5
83.09030	1.8
93.07038	8.3
95.04948	12.4
95.08576	15.2
97.06525	1.9
97.10147	3.8
99.04429	7.6
105.07001	8.0
107.08595	7.7
109.10116	25.9
110.10467	9.8
111.11694	3.5
113.05994	4.6
119.08536	8.7
121.10097	7.7
123.04388	21.3
123.11682	4.1
125.05963	3.9
127.11153	19.7
128.11520	9.6
128.27774	2.1
133.10088	2.6
135.11659	1.9
141.05444	100.0
145.10126	3.7
147.11655	3.6
149.02324	32.0
150.02660	9.4
152.23122	1.9
159.11652	3.6
163.11154	2.1
188.16232	2.0
210.19635	2.5
229.34010	1.9
405.33572	79.7
412.28189	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	423.3252
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.7
55.01868	3.2
55.05499	18.1
57.07067	5.4
67.05491	33.2
69.07047	22.6
71.04968	5.9
79.05462	34.1
81.06595	5.2
81.07039	95.0
82.11252	3.2
83.04966	3.9
85.06519	3.3
91.05463	52.6
93.07023	100.0
95.04938	16.7
95.08585	71.2
97.06486	5.1
103.05452	3.2
105.07011	83.9
107.08578	79.1
109.06499	15.2
109.10114	25.2
111.08049	5.4
117.07005	18.0
119.07729	3.6
119.08565	95.0
119.64966	2.8
121.06459	4.5
121.10126	41.0
123.08009	4.6
123.11710	6.6
129.06963	10.7
131.08548	31.3
133.10109	31.5
135.08066	6.2
135.11618	29.2
137.09634	3.3
142.07776	5.6
143.08553	20.5
144.09389	3.9
145.10091	39.2
145.88815	2.6
147.11688	21.3
149.09596	6.6
149.13190	17.2
155.08545	4.5
157.10109	27.5
159.11668	51.9
161.13229	14.4
163.14757	6.2
169.10094	13.0
171.11647	15.9
173.13264	10.3
175.11047	4.2
175.14795	4.7
177.12880	3.9
183.11600	4.5
185.13220	13.0
187.11194	4.3
187.14850	14.4
195.11809	4.4
199.14763	4.8
201.16360	4.0
203.17877	6.6
209.13438	3.0
216.31181	3.4
223.14867	4.3
227.17867	3.2
402.52490	3.3
405.31067	4.0
423.36533	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	423.1435
Annotation	Asperlicin E
Peak:m/z	Relative Intensity
53.03927	0.2
55.01866	0.4
55.05496	0.4
56.96558	0.2
57.03432	0.3
57.07020	0.3
62.29397	0.2
62.99084	0.2
64.97437	0.2
65.03912	0.6
65.89638	0.2
66.99899	0.2
67.05496	2.5
69.07060	0.4
79.01839	0.6
79.05467	0.5
79.67740	0.2
81.03383	0.4
81.07028	1.5
83.01334	0.3
83.04954	0.3
91.05457	1.0
93.06992	0.4
95.04967	1.8
97.90288	0.2
107.08585	0.2
108.02088	0.3
109.10130	1.1
111.04423	1.0
113.02333	1.1
117.07070	0.2
119.08566	0.4
121.02828	1.4
123.04395	1.2
131.03381	1.8
131.04927	0.5
133.49052	0.3
137.05937	0.3
151.03915	2.7
158.73050	0.3
161.02356	0.3
163.07547	0.3
167.00664	0.3
168.20160	0.3
169.05049	0.3
172.36806	0.2
178.02867	0.3
179.03366	100.0
197.04424	24.7
247.52640	0.3
272.21100	0.3
273.07529	23.3
350.15900	0.3
423.14227	1.2
423.27197	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	1.1
53.03932	4.3
55.01865	1.0
55.05507	1.3
55.08128	0.6
56.96550	0.7
67.01856	1.1
67.05479	3.4
68.99779	1.4
69.03411	0.9
69.07042	1.3
71.59033	0.6
74.19413	0.8
77.03905	1.5
78.04605	0.9
78.23290	0.7
79.05465	1.8
81.07026	3.7
83.04953	0.8
86.72218	0.7
89.24591	0.7
91.05431	1.1
92.09286	0.9
93.07012	3.2
95.04937	17.1
95.08575	1.5
105.04523	1.4
105.07014	3.1
107.04959	6.6
107.08563	1.8
109.06483	1.0
109.10126	1.1
117.07063	1.0
119.08530	1.8
121.02845	1.4
121.06390	1.1
123.04404	15.2
123.11673	0.9
129.06935	1.7
130.07254	0.9
131.03349	1.5
131.04916	1.2
131.08539	1.0
131.11885	0.9
136.01425	0.9
137.05946	3.3
139.03886	3.6
141.06976	1.4
143.08511	1.3
145.02817	0.7
145.06474	0.9
145.10233	1.3
151.03880	33.1
157.06436	12.7
167.04907	0.9
171.04414	1.4
178.99715	5.5
179.03401	3.1
184.05185	1.7
185.05972	11.9
197.00775	33.6
199.07513	0.8
212.04688	1.2
213.05463	6.9
219.06511	4.4
227.06792	0.8
229.04900	1.1
230.05762	1.2
241.04906	7.1
242.05586	1.0
245.08078	3.1
247.26299	0.7
273.04056	6.1
273.07510	100.0
329.06482	1.5
356.20706	0.8
361.37689	0.8
391.07837	1.1
423.23187	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	423.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.01854	0.5
55.05493	0.1
63.44476	0.1
64.33397	0.1
65.03916	0.5
65.06370	0.1
66.23148	0.1
66.44818	0.1
67.05482	0.3
68.99768	0.5
73.06518	0.3
79.01839	0.8
79.05431	0.1
81.03403	0.1
81.07027	0.2
83.01324	0.1
83.04946	0.1
85.02855	0.1
91.05444	0.2
92.99754	0.4
93.03363	0.1
93.07056	0.1
95.04943	1.5
95.08562	0.2
101.05988	0.1
107.04906	0.1
107.08534	0.1
108.02069	0.4
109.10134	0.1
111.04405	0.6
113.02343	1.7
121.02858	1.3
123.04385	1.0
125.02335	0.2
131.03377	1.9
136.01541	0.1
137.02298	0.4
137.05984	0.1
149.02330	0.2
151.02022	0.1
151.03873	3.8
153.05426	0.1
154.02637	0.1
161.02310	0.5
169.04848	0.4
179.03352	100.0
180.03683	0.5
197.04411	21.0
197.32022	0.1
200.10739	0.1
228.04066	0.5
271.05927	1.6
273.07504	22.9
274.07791	0.2
381.09763	0.2
393.88135	0.1
416.82285	0.1
423.23578	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1257
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78775	0.4
55.01846	0.5
55.05470	2.9
57.03409	0.7
60.67079	0.4
63.30151	0.4
67.05464	0.9
69.03380	2.6
69.07052	13.7
69.54745	0.4
70.07360	0.8
71.04932	2.3
72.69608	0.4
73.06527	0.8
75.28580	0.5
76.22878	0.4
79.05440	1.1
79.61066	0.4
80.30280	0.4
81.07057	4.0
83.04929	0.6
83.08564	1.1
85.02850	2.5
85.06490	2.7
88.58604	0.4
91.05434	1.1
91.44413	0.7
93.07031	3.4
95.04948	0.8
95.08544	2.0
97.02844	0.9
97.06473	2.5
98.06847	0.5
99.04427	8.5
99.08045	0.6
100.04723	0.5
103.93464	0.4
105.06979	3.0
107.08572	5.2
108.08893	0.5
109.06487	2.6
109.10130	1.8
111.08051	5.5
113.05759	7.0
115.07569	3.8
116.65820	0.4
119.08518	2.6
120.08850	0.6
121.10116	4.0
123.04396	2.5
123.08005	0.7
123.11655	1.0
124.08273	0.6
125.09548	0.5
127.03879	0.6
127.07487	2.3
133.10088	2.3
135.11649	1.1
139.03882	1.1
139.11172	7.8
140.11469	1.1
145.10022	0.8
147.11635	1.7
151.11089	0.9
153.12679	0.8
161.13173	0.7
163.11234	0.6
167.10620	0.9
171.00441	2.5
171.11569	0.6
179.14151	0.5
181.12196	2.0
183.13792	0.6
197.11777	0.5
199.13266	6.9
200.13576	1.8
207.13741	4.0
208.14131	0.9
225.09163	0.5
225.14775	9.1
225.18472	0.6
226.15123	3.6
243.06145	0.7
243.19484	0.7
244.16374	0.8
261.07272	100.0
277.50778	0.5
423.12521	50.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2899
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00282	0.4
55.05489	1.0
56.96547	0.9
57.07066	8.2
58.06574	2.0
61.02869	0.4
65.03914	2.7
67.05482	1.8
69.07034	0.6
70.06197	0.7
70.06578	19.1
71.08596	2.8
79.05489	0.4
81.07027	2.1
85.10169	0.8
86.29036	0.4
88.07609	18.8
91.05447	0.7
93.07002	2.0
95.04918	1.7
97.02888	0.6
102.09154	14.5
105.06998	0.5
107.04926	1.8
107.08527	0.6
109.06487	0.5
111.81274	0.4
119.08518	1.7
121.02832	1.8
133.10147	0.4
137.81161	0.5
139.03870	2.5
149.02321	100.0
149.03362	4.7
151.07564	0.4
193.04929	89.7
210.71779	0.4
212.23619	0.5
256.26288	39.8
273.07437	0.9
422.28909	65.9
423.28735	0.6
437.42834	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	423.1256
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.9
67.05485	1.4
69.03414	1.1
69.07059	1.3
70.06573	0.5
71.04974	1.1
73.02892	0.5
76.56245	0.6
77.31042	0.5
79.05479	2.9
81.03409	0.7
81.07027	6.1
83.08597	0.7
85.02874	2.9
85.06541	1.3
85.82658	0.6
89.36120	0.5
91.05430	0.6
92.09280	0.9
92.50589	0.7
93.07017	3.9
94.32493	0.6
95.04898	0.7
95.08575	3.3
97.06512	0.8
99.04417	1.3
105.07030	3.7
107.00145	0.6
107.04942	0.9
107.08603	4.9
108.08869	1.1
109.06506	1.3
109.10151	2.3
110.10528	0.6
111.08057	1.0
111.47419	0.7
113.05755	13.1
115.07584	0.6
119.08556	2.6
121.06485	0.9
121.10108	4.1
123.08037	1.4
123.11630	0.9
125.09554	0.8
133.10066	1.1
135.08034	1.0
135.11690	0.9
137.09622	0.9
147.08031	0.7
147.11641	0.7
149.09579	0.6
150.10010	0.6
151.07542	2.6
151.11172	0.9
161.13257	1.2
162.13573	0.7
165.08951	0.7
167.06964	0.8
171.00494	1.3
179.14270	1.4
189.12785	2.2
190.13589	0.7
207.13815	4.5
208.14102	1.3
225.14807	6.1
226.15112	4.5
228.41740	0.6
243.06326	0.7
243.15773	2.7
244.12230	0.6
261.07272	100.0
275.10931	0.8
377.03418	1.4
395.04431	1.2
423.12494	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	422.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.63645	1.3
54.63652	1.4
55.05504	1.2
55.85291	1.3
57.07071	17.3
59.99139	1.4
64.33241	1.4
67.97771	1.3
69.07043	1.5
71.08618	19.5
85.10152	1.3
87.04447	2.8
89.06013	1.6
95.08547	1.9
113.13243	1.9
121.02825	3.6
121.09201	1.5
149.02315	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15379	0.7
54.81590	0.8
55.05489	1.0
57.03421	1.1
57.07069	21.0
60.29813	0.8
67.05488	15.4
67.20771	0.9
69.07052	19.0
71.04958	8.8
71.08611	19.7
74.52754	0.9
78.10642	0.8
81.07021	5.7
83.08614	9.1
83.09019	1.0
91.05433	1.6
92.08949	1.1
92.64039	1.0
93.07010	2.1
95.08582	1.2
105.07001	2.2
109.10136	75.4
113.13190	1.2
121.02831	5.0
121.10144	1.1
123.13773	1.1
127.11161	90.6
149.02315	100.0
167.03340	2.1
183.83446	0.9
186.74060	1.0
257.33154	1.2
380.92017	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2895
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96630	1.0
57.03429	68.7
57.07050	1.7
67.05485	1.3
69.07064	1.3
71.08619	2.2
79.76774	1.1
81.07030	2.5
91.08810	1.2
92.09185	2.8
93.07032	2.1
96.32903	1.2
96.93168	1.4
103.06789	1.4
127.11169	100.0
131.08554	1.7
140.73482	1.4
149.02330	20.6
155.10378	1.5
203.99643	1.4
211.87962	1.2
351.11157	1.3
412.04681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2896
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28563	1.1
50.56947	1.0
55.05501	2.4
56.82642	1.1
57.07069	19.0
57.20765	1.1
60.41155	1.2
62.07321	1.3
64.82452	1.1
67.41227	1.4
69.07058	2.3
71.04957	5.9
71.08617	23.0
79.05447	1.8
79.36392	1.3
81.07013	1.5
84.41019	1.3
89.06012	1.6
96.51123	1.3
103.30877	1.2
111.01286	1.1
121.02823	5.9
127.11166	7.6
145.12190	1.6
149.02321	100.0
154.29152	1.3
177.14227	1.4
195.12210	1.7
223.06099	1.5
295.64368	1.4
312.07217	1.4
353.68741	1.5
379.61835	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.238
Annotation	Unknow
Peak:m/z	Relative Intensity
51.87482	1.6
52.80022	1.7
53.14383	1.6
55.01874	2.5
55.05507	15.6
57.03424	8.6
61.02891	3.3
67.05490	16.8
69.03417	21.0
69.07047	9.0
70.06576	2.4
71.04977	11.0
73.02898	1.8
79.05460	16.9
81.03396	12.5
81.07038	32.6
83.04962	31.8
83.08602	2.8
85.02898	34.0
85.06534	4.7
91.05460	22.5
93.07016	40.0
94.16860	1.8
95.01322	4.3
95.04948	16.8
95.08590	43.2
97.02865	9.3
97.06516	10.2
98.97550	2.4
99.04433	9.8
105.03414	2.3
105.07024	52.1
107.04926	9.3
107.08573	82.9
109.02866	2.8
109.06492	13.6
109.10134	10.8
111.04446	2.8
111.08088	2.4
113.06013	2.3
115.07552	2.3
117.06950	3.4
119.04882	2.4
119.08545	58.4
121.06464	15.9
121.10098	27.3
123.08038	11.3
123.11678	20.2
125.06017	3.7
125.09645	7.2
127.03908	3.8
127.07554	1.9
128.06099	2.7
129.06934	2.7
131.08563	18.7
133.06496	2.4
133.10106	85.2
135.08026	4.9
135.11676	10.6
137.05902	1.9
137.09573	12.1
139.11195	3.0
143.08525	8.2
145.10107	11.5
147.04398	4.4
147.08051	10.7
147.11676	23.1
149.05968	2.2
149.09595	21.0
149.13257	11.2
151.07535	4.8
151.11160	72.0
159.11652	16.3
161.09521	3.0
161.13229	39.5
163.11186	8.4
165.09091	4.0
165.12654	4.4
169.08487	2.0
171.11652	12.2
177.12711	35.0
179.10669	4.1
179.14265	15.8
181.08589	7.3
181.12192	100.0
189.12746	33.5
195.13759	12.2
207.09935	2.7
207.13760	85.4
225.14816	31.0
236.19643	2.1
243.12262	9.6
243.15904	9.3
248.27647	2.2
260.10007	3.6
416.61710	2.0
442.45386	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00316	0.8
53.03932	1.3
54.81654	1.1
55.01865	3.3
55.05498	5.4
57.03426	6.8
57.07045	0.8
59.04981	1.2
59.34247	0.6
61.02911	3.6
66.87260	0.7
67.05491	8.4
69.03410	12.6
69.07050	22.0
70.06573	0.9
71.04974	9.2
73.02876	1.3
79.05464	6.9
81.03402	6.9
81.07038	17.0
83.04972	6.1
83.08578	1.6
85.02884	23.3
85.06545	1.1
87.04450	1.2
91.05442	9.5
91.64221	0.7
93.07013	20.3
95.04936	10.2
95.08578	18.6
97.02867	8.8
97.06480	7.0
97.10138	0.9
99.04424	11.7
99.08072	1.9
105.07005	20.0
107.04939	3.6
107.08566	22.0
109.02869	3.0
109.06487	21.9
109.10125	13.5
111.04449	1.1
111.08083	1.7
113.05988	3.4
114.36949	0.8
117.06986	2.0
119.04917	1.2
119.08546	29.3
121.06499	3.1
121.10106	27.4
123.04412	5.3
123.08038	38.0
123.08916	1.6
123.11708	4.0
125.06010	1.1
125.09611	1.8
127.03890	4.2
127.07547	4.0
128.06236	1.3
129.06984	1.1
131.08533	5.3
133.06412	1.4
133.10088	15.4
135.08055	3.6
135.11635	8.6
137.05957	3.3
137.09572	11.5
137.13249	3.2
139.07491	2.0
139.11140	1.2
141.05411	1.4
141.09114	1.3
143.08527	5.5
145.04967	1.6
145.06471	0.9
145.10106	6.2
147.04413	1.1
147.07993	16.8
147.11678	7.3
149.05911	1.0
149.09570	9.3
149.13202	6.1
151.07535	9.2
151.11145	5.6
153.01799	31.5
153.03001	1.7
155.07007	1.0
156.09279	2.0
159.11636	8.0
161.05894	0.9
161.09549	7.5
161.13228	12.5
163.11153	8.2
165.09068	100.0
165.12692	5.6
167.07002	1.2
167.10672	4.3
169.12219	1.2
171.02890	4.0
171.11710	1.1
174.10394	1.2
177.12695	18.7
179.07050	1.6
179.10649	4.4
179.14302	1.7
181.12190	3.3
183.06512	1.7
189.09081	6.2
189.12730	10.7
193.04944	1.2
195.13770	36.1
207.10115	20.4
207.13737	20.3
207.15498	1.5
225.11198	36.1
225.14749	21.2
237.02780	0.9
243.12192	12.7
243.15787	9.4
297.06036	0.9
315.07065	4.2
394.18515	0.9
432.10086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78852	0.7
52.92496	0.8
53.03932	1.6
53.23342	0.8
55.01858	4.4
55.05501	10.1
57.03424	5.4
57.07055	0.9
61.02911	4.4
61.58709	0.9
67.05486	23.4
69.03413	9.1
69.07043	12.0
71.04960	3.8
73.02903	1.8
79.05476	13.4
79.47356	1.1
81.03381	5.0
81.07032	73.5
83.04961	5.0
83.08610	7.5
85.02882	31.1
85.06528	5.9
87.04452	1.2
90.91763	0.9
91.03940	1.1
91.05445	25.5
93.07030	11.3
95.04939	6.1
95.08567	17.2
97.02849	11.6
97.06507	11.3
97.10126	3.7
99.04436	1.7
99.08085	2.4
105.07001	28.8
107.04945	1.2
107.08560	10.8
109.02892	1.8
109.06496	7.5
109.10168	1.5
111.08086	1.5
119.08549	29.6
121.10110	18.5
123.04269	1.1
123.08014	3.8
123.11675	23.3
125.09593	1.9
127.03889	6.7
129.06989	2.0
131.08542	5.8
133.10091	17.6
135.08032	1.4
135.13425	1.0
137.13232	2.4
145.04901	2.0
147.11659	100.0
149.02353	2.1
149.09576	1.3
151.03943	1.2
157.10136	8.0
165.12708	55.3
175.11108	12.5
180.08690	4.9
189.11218	1.6
190.50168	1.1
193.04950	1.8
193.12190	33.8
197.15314	20.3
225.14793	29.1
229.14302	1.0
243.15852	71.6
288.26044	1.1
405.17981	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	1.1
54.08728	0.8
55.01851	1.3
55.05513	8.1
55.05720	0.8
57.03425	2.2
57.07070	1.2
58.19248	0.9
59.05005	3.5
61.02929	1.7
61.59389	0.9
63.64392	0.8
67.05501	7.9
69.03426	8.2
69.07053	100.0
70.06559	1.1
71.04980	7.3
73.02899	1.2
73.06542	12.2
79.05474	8.1
81.03397	1.3
81.07045	19.2
83.04965	5.4
83.08618	6.0
85.02896	15.7
85.06518	6.9
87.04477	1.3
91.05465	6.7
93.07018	36.7
95.04949	5.0
95.08585	13.1
97.02893	1.8
97.06509	27.2
99.04437	28.9
101.09692	1.1
105.07013	18.0
107.04948	4.1
107.08585	20.4
109.06510	7.0
109.10116	13.0
111.04434	4.7
111.08073	57.5
115.07546	48.3
117.07002	1.3
119.04889	1.9
119.08556	18.4
121.06477	1.4
121.10126	19.2
123.04391	1.6
123.08040	17.1
123.11683	1.9
124.03969	1.4
125.05985	2.2
125.09581	4.4
126.09136	1.1
127.07511	1.8
127.11143	1.6
129.09134	1.4
131.08617	1.3
133.10123	8.3
135.11705	4.0
137.05946	5.5
137.09631	5.3
139.11159	32.9
141.09059	1.4
143.08542	1.2
143.10684	2.1
145.10162	2.1
147.04405	6.7
147.08011	1.3
147.11708	2.5
148.04739	1.1
149.09618	5.2
149.13225	8.0
151.07576	2.0
151.11157	2.4
153.09137	1.4
159.11671	1.7
161.09613	12.1
161.13222	13.6
163.11195	4.5
165.09100	5.4
165.12688	2.5
167.10669	1.7
171.11685	1.2
177.12717	21.8
178.48669	1.0
179.10657	1.1
179.14308	5.1
181.12244	5.4
189.09027	1.8
189.12740	6.0
195.13799	4.5
197.11725	1.1
199.13277	17.4
207.10147	6.3
207.13795	21.6
225.11356	11.6
225.14807	55.7
243.12152	1.4
243.15854	30.1
292.26370	1.1
306.28033	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2383
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.0
55.01859	2.1
55.05502	11.5
57.03429	7.3
61.02922	3.6
67.05488	7.5
69.03410	24.7
69.07062	46.8
71.04977	23.9
72.60357	1.6
73.06560	2.1
79.05470	15.4
80.51293	1.8
81.03400	10.7
81.07040	52.3
82.77360	1.6
83.04977	14.7
83.08597	2.0
85.02893	36.5
85.06522	6.9
91.05463	14.2
93.07024	26.5
95.04956	12.6
95.08586	32.4
97.02867	10.6
97.06512	18.2
98.97559	9.9
99.04456	28.7
99.08080	17.0
101.05989	1.9
105.07021	35.0
106.07767	1.7
107.04968	2.6
107.08581	54.3
109.02853	3.8
109.06564	14.4
109.10149	28.4
111.04433	4.4
111.08069	30.9
113.05932	1.9
115.07558	25.0
116.98608	3.2
117.07034	2.6
119.08569	29.3
121.06498	4.4
121.10129	58.0
123.04396	10.2
123.08047	77.3
123.11702	8.3
125.06011	2.5
125.09605	11.5
127.03909	3.7
127.07542	3.7
127.11174	3.6
129.05620	1.7
131.08554	7.5
133.10101	14.2
135.08061	2.9
135.11679	11.9
137.05965	3.6
137.09608	54.9
139.03876	7.0
139.07507	2.8
139.11171	23.8
141.09111	2.7
143.10658	3.2
145.04948	3.5
145.10101	26.4
147.08051	3.4
147.11687	39.0
149.09618	38.6
151.03900	2.8
151.07559	7.0
151.11163	10.2
156.09331	3.0
161.13232	35.1
162.92635	2.1
163.03790	3.0
163.11151	45.7
165.09148	2.5
165.12691	13.1
167.07022	3.2
167.10681	7.4
167.82979	2.0
169.08684	1.7
171.04892	3.7
171.11578	7.3
177.00656	2.2
179.03822	2.3
179.14241	9.3
181.12199	61.4
187.03941	2.5
189.12730	48.6
193.57372	1.8
199.13280	11.7
207.13797	94.4
209.76366	1.9
219.01784	3.4
225.14835	100.0
228.06506	3.1
237.02771	3.6
243.12039	2.3
243.15881	44.7
271.06064	2.5
283.12073	2.0
289.07095	2.6
341.09015	2.0
422.16614	2.8
423.12686	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2379
Annotation	Unknow
Peak:m/z	Relative Intensity
50.56884	1.0
53.00294	1.4
55.01863	3.1
55.05492	12.8
57.03423	6.7
57.25616	1.1
59.04990	1.5
60.57041	1.2
63.63149	1.2
67.05486	8.0
69.03407	10.8
69.07052	95.7
71.04974	25.3
73.06528	10.0
79.05475	8.2
81.03393	2.3
81.07045	17.5
83.04961	6.0
83.08600	14.1
84.22896	1.1
85.02889	15.8
85.06530	8.3
91.05471	7.1
93.07023	17.3
95.04951	8.7
95.08586	15.0
97.02883	5.0
97.06501	22.8
98.97563	2.0
99.04431	81.0
101.05988	6.4
105.07014	16.5
106.19782	1.5
107.08569	35.6
109.06503	24.1
109.10117	10.9
111.04419	2.1
111.08051	40.3
113.05884	2.9
113.09640	2.0
115.07539	36.9
119.08569	18.0
121.06475	2.3
121.10120	23.3
123.04424	5.8
123.08018	16.7
123.11671	13.1
125.09624	2.6
127.03925	2.2
127.07524	16.0
127.11186	1.6
129.05499	2.2
129.09100	2.4
131.08569	5.7
132.95796	2.0
133.10083	12.0
134.56294	1.4
135.08064	5.9
135.11644	10.8
137.06007	2.3
137.09583	8.2
139.03893	2.3
139.11156	53.4
143.08595	1.7
145.02829	1.8
145.10114	6.6
147.08102	2.3
147.11665	19.3
149.09663	10.2
151.07504	5.5
151.11160	8.7
153.12686	7.4
159.11694	3.0
161.09624	2.9
161.13248	9.3
163.11174	8.2
165.12766	9.0
167.10622	20.0
169.08583	1.7
174.96884	1.8
176.98422	2.8
177.12747	2.6
179.14243	6.2
181.12195	18.6
183.13757	16.6
189.12688	9.7
195.13750	1.9
199.13243	56.6
200.98447	6.9
202.96994	1.4
207.10243	1.5
207.13786	31.7
225.11348	4.2
225.14804	100.0
243.15854	12.0
261.00592	2.5
261.07254	42.2
268.70428	1.5
279.40231	1.4
321.02417	1.7
369.19019	1.9
423.12482	25.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
53.95064	0.3
55.01863	0.8
57.03430	3.6
57.98084	0.3
61.02915	3.0
63.66321	0.3
65.16795	0.3
67.05475	0.7
68.99777	0.4
69.03411	6.8
71.04966	0.9
73.02876	0.8
79.05453	1.9
81.03390	2.3
81.07020	1.7
83.04955	0.7
85.02885	19.0
85.06512	0.5
87.04445	0.6
91.05474	4.8
92.08667	0.4
93.07004	2.3
95.04932	1.9
95.08575	2.0
96.15717	0.4
97.02874	6.2
97.06499	1.7
99.04430	1.6
105.03373	0.5
105.07014	4.6
107.04922	2.9
107.08573	0.8
108.05691	1.0
109.02862	2.1
109.06491	3.4
111.08067	0.4
117.06923	0.4
118.04102	0.4
119.04865	0.6
119.08553	2.2
121.06444	3.6
121.10098	2.4
123.04402	1.4
123.08039	2.7
125.05983	1.0
127.03886	2.1
131.08508	0.5
133.06468	2.8
133.10097	0.6
134.07227	0.9
135.04335	0.8
135.08046	3.2
135.11623	0.7
136.05153	1.8
137.09583	0.9
139.03871	0.6
139.07518	2.2
143.08563	0.5
145.04927	0.7
145.10101	0.6
147.04367	0.9
147.07964	0.9
147.11647	1.5
149.05936	0.7
149.09593	0.8
150.06715	6.5
151.07513	59.1
152.08253	2.2
153.05432	5.8
153.09065	0.5
153.12935	0.4
154.06221	0.5
161.05931	2.2
161.09589	0.7
161.13242	0.7
162.06720	11.5
163.03770	0.5
163.07480	2.1
163.11185	0.7
165.05341	0.7
165.07956	0.4
165.09070	25.1
167.06993	53.1
168.07782	16.3
169.08633	0.4
169.92227	0.4
175.07474	0.5
176.08321	3.1
177.05434	3.5
178.06076	0.7
178.09821	0.9
178.76768	0.4
179.06969	1.7
179.10570	0.8
181.08557	6.0
181.12196	0.8
182.09305	0.9
183.10161	2.3
189.09027	0.5
189.12779	1.4
190.09724	0.5
192.07716	4.5
193.08559	23.4
193.10307	0.7
194.09328	3.4
195.10133	1.6
207.10106	3.5
207.13773	2.6
209.11731	3.6
210.08844	14.2
225.11172	100.0
225.14796	2.5
243.12222	1.0
243.15746	0.6
247.76570	0.4
328.91721	0.4
370.86432	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01856	3.5
55.05496	3.5
57.03418	4.3
59.64637	0.7
61.02904	3.1
67.05493	12.6
69.03415	9.2
69.07047	0.8
71.04957	4.2
73.02905	0.8
76.49086	0.7
79.05476	7.6
81.03398	8.6
81.07023	3.3
83.04468	0.8
83.04966	25.2
85.02888	26.2
87.04450	0.9
91.03896	1.2
91.05464	27.6
93.07024	6.8
95.04966	8.9
95.08591	1.5
97.02856	8.0
97.06493	5.3
98.97545	1.4
99.04417	4.4
100.11251	0.8
105.07017	28.0
107.04928	4.6
107.08593	4.8
109.02853	1.7
109.06486	4.0
109.10154	1.9
115.05451	1.2
117.06995	13.8
119.04934	1.9
119.08564	54.0
121.06493	8.5
121.10117	5.0
123.04395	6.4
123.08030	3.6
125.05947	5.2
127.03899	5.0
128.06197	8.3
129.06987	44.8
131.08525	4.4
133.06500	1.1
133.10123	14.3
135.08028	5.9
135.11659	1.1
137.05975	4.3
137.09589	4.6
141.05455	4.0
143.06953	1.6
143.08542	38.0
144.10165	0.8
145.06494	5.4
145.10112	3.5
147.08032	88.1
147.11685	3.0
149.09622	3.4
151.07521	13.2
151.11153	0.9
153.07013	11.0
154.06241	2.8
155.07022	1.9
159.11618	1.2
161.09578	27.2
163.07491	8.0
163.11134	2.8
165.05421	3.6
165.09087	17.8
167.07030	4.2
167.10638	3.5
168.07352	0.9
171.08023	8.7
171.11577	0.9
177.12714	1.0
179.10641	5.2
181.08495	1.2
187.20364	1.0
189.09065	31.9
189.12717	1.1
197.08083	1.0
207.10136	100.0
207.13736	3.9
225.11192	28.0
225.14810	4.0
243.12245	6.3
243.15918	6.1
317.64072	0.8
388.87415	0.8
399.40225	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.5
54.81419	1.3
55.01855	1.1
55.05501	2.6
55.29628	0.8
57.03448	1.2
58.09275	1.2
61.02916	1.3
62.73369	0.8
63.57903	1.0
64.75724	0.9
67.05494	8.0
69.03426	9.9
69.07055	7.8
69.07360	0.9
71.04983	9.1
74.64383	0.9
79.05472	22.4
81.03394	1.7
81.07029	23.8
81.07469	1.5
83.04943	5.4
85.02886	10.5
85.06551	1.6
91.05434	8.1
92.09238	1.4
93.07010	14.7
95.04936	7.8
95.08582	9.1
97.02863	4.7
97.06504	6.5
99.04427	17.8
105.07008	17.2
107.04941	16.8
107.08583	7.5
109.06485	10.9
109.10141	41.5
111.04444	8.5
112.96615	1.2
113.05958	1.8
117.06963	2.2
119.08546	21.1
121.06475	2.5
121.10120	13.1
123.04456	1.3
123.08052	6.7
125.05947	5.1
127.07520	1.5
128.06192	2.4
129.06976	1.9
131.08482	1.3
133.06493	1.6
133.10094	19.2
135.07994	1.7
135.11711	2.0
137.06018	1.1
137.09587	66.4
143.08546	17.3
145.05147	1.2
145.10147	4.8
146.07233	4.6
147.08022	21.0
147.11649	2.4
149.09610	2.2
151.11143	1.3
161.09584	100.0
161.13200	2.1
163.11147	7.2
165.09074	66.6
165.12720	1.6
169.08720	1.3
171.08107	1.4
177.12790	7.2
179.10643	12.2
181.12146	1.8
189.09081	17.7
189.12746	4.5
207.10130	52.7
207.13788	7.4
213.00787	1.1
219.54942	1.1
225.11191	27.8
225.14735	7.7
243.12230	2.7
243.15929	1.9
313.74640	1.2
384.60342	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
50.55304	0.4
51.17782	0.4
53.03934	0.5
55.98707	0.3
55.99018	0.4
57.03420	2.0
59.04975	0.5
60.31104	0.4
61.02906	3.2
62.65977	0.4
67.05501	0.4
67.42248	0.4
69.03426	5.6
69.07059	0.9
71.04968	1.0
75.04447	0.5
75.98637	0.4
79.05465	1.0
81.03403	2.6
81.07047	0.9
83.04961	0.5
85.02892	17.8
86.07315	0.5
87.04467	0.5
89.07589	0.5
90.23842	0.4
91.05470	3.5
93.07006	2.1
95.04925	3.0
95.08595	1.6
97.02861	5.6
97.06516	0.9
99.04455	1.5
103.05437	0.5
105.03363	0.8
105.07005	5.2
107.04926	2.8
107.08575	1.0
107.19527	0.4
109.02855	2.4
109.06534	3.1
109.10126	0.7
119.08538	1.9
121.06469	4.0
121.10117	2.2
123.04399	0.5
123.08053	1.8
125.05983	0.6
127.03900	2.1
132.02003	0.6
133.06444	2.8
133.10156	0.6
134.07321	0.7
135.04404	1.0
135.08046	3.2
136.05159	2.0
137.05966	1.8
137.09547	0.6
139.07527	2.1
145.04929	0.9
145.10059	1.1
147.04391	1.0
147.08006	1.8
147.11674	0.7
149.05956	0.6
149.09578	0.7
150.06766	6.7
151.07521	56.6
152.08279	2.7
153.05461	8.5
153.09106	0.6
161.05975	1.9
161.13190	1.0
162.06735	9.7
163.07483	2.3
165.05443	2.1
165.09081	23.9
167.06999	47.9
168.07776	15.8
175.07443	0.6
176.08266	2.5
177.05438	2.7
178.06131	1.0
178.09787	1.9
179.06979	1.7
179.10663	1.0
181.08556	6.1
182.09373	0.8
183.06509	0.5
183.10101	3.9
189.12784	0.7
191.07022	0.5
192.07753	4.7
193.04803	0.6
193.08562	25.8
193.10332	0.8
193.36978	0.5
194.09334	4.4
195.10179	1.9
207.10210	3.2
207.13809	1.9
209.11726	5.4
210.08829	17.2
225.11182	100.0
225.14832	2.7
241.38649	0.4
243.15791	1.9
322.04352	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	422.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47623	1.4
53.03926	1.9
54.81082	1.8
55.01861	2.3
55.05495	15.9
55.90324	1.8
57.03421	8.6
61.02933	2.3
67.05485	8.6
69.03413	15.1
69.06698	2.4
69.07051	28.0
71.04971	12.9
71.63755	1.6
79.05464	18.8
81.03380	2.0
81.07029	29.9
83.04957	12.3
83.08596	12.8
85.02894	28.3
85.06510	4.1
90.24553	2.4
90.63156	2.2
91.05451	16.0
93.07021	21.4
94.01647	1.8
95.04955	13.0
95.08570	17.9
97.02867	11.0
97.06512	18.2
99.04425	18.7
101.03001	2.1
101.06010	2.9
105.06997	27.5
107.04952	7.7
107.08567	54.3
109.06487	19.1
109.10141	42.5
111.04435	24.9
111.08056	19.5
113.06006	2.4
115.07555	7.1
117.06941	2.9
119.08556	39.7
121.06475	4.4
121.10120	34.0
123.04395	2.4
123.08041	12.6
123.11680	3.1
125.05947	2.9
125.09631	3.1
127.03893	4.7
127.07523	4.4
128.06206	2.5
128.57733	2.1
129.06955	2.2
130.06596	1.9
131.08501	2.4
133.06483	2.5
133.10109	26.4
135.08057	4.7
135.11696	7.1
137.09589	52.6
139.11147	20.9
143.08562	23.8
145.10086	8.1
146.07269	4.1
147.08014	18.7
147.11668	11.4
149.09595	10.3
151.07533	16.5
151.11176	4.1
153.09079	2.6
153.12723	3.8
159.09137	2.3
161.09570	100.0
161.10852	4.2
161.13217	30.5
163.11171	12.2
165.09076	59.2
165.12726	2.7
171.07935	2.5
173.05957	2.9
177.12743	3.7
179.10637	11.5
179.14268	13.2
181.12228	10.1
189.09061	22.7
189.12703	2.7
197.06009	4.4
199.13239	18.5
207.10146	48.7
207.13745	45.1
215.07005	2.5
225.11224	52.7
225.14771	46.8
243.06450	26.1
243.12221	10.0
243.15906	10.9
293.65173	2.1
441.07849	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	422.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.5
54.50060	0.4
55.01854	1.7
55.05493	0.8
57.03428	0.5
59.08443	0.4
65.03934	0.5
67.05484	2.2
69.03405	0.9
69.07034	2.9
71.04975	1.0
74.94926	0.4
77.44229	0.4
77.82999	0.4
79.05457	1.9
80.47590	0.4
81.03377	1.0
81.07026	5.0
83.08593	1.9
85.02876	4.3
85.06535	0.7
91.05458	15.0
92.09312	1.5
93.07019	3.3
95.04949	2.4
95.08590	3.4
97.02847	2.0
97.06512	0.9
103.05421	1.0
105.07021	9.7
107.04280	0.8
107.04938	14.0
107.08565	2.4
109.00514	0.6
109.10123	2.5
111.57964	0.4
119.04918	11.6
119.08575	2.0
120.05692	1.9
121.02818	1.0
121.05592	1.0
121.06477	27.1
121.10108	2.2
123.04408	7.1
123.11672	1.9
124.05229	1.7
125.05962	2.6
125.09538	0.7
131.04950	0.5
131.08560	0.7
133.06473	12.1
133.10081	1.0
134.03555	0.5
134.07269	0.5
135.04395	5.9
135.11641	0.7
137.05914	3.8
139.03885	2.3
141.07045	0.5
145.06462	2.4
147.08041	0.7
149.05952	16.4
149.13165	0.5
150.06720	3.0
153.06979	1.7
154.07744	0.7
155.08536	0.8
157.06441	1.1
159.08012	2.3
161.05920	0.7
165.06938	6.5
166.07768	0.6
167.08379	0.6
179.08563	0.8
181.06464	0.7
182.07248	2.2
183.08012	4.9
189.16417	0.8
193.06409	0.8
194.07207	0.9
197.09607	2.5
203.05112	0.7
207.17413	0.6
210.06740	4.2
211.07486	4.0
212.08380	2.4
225.09096	2.8
225.18414	1.9
227.07001	0.7
228.07721	4.7
241.21521	1.0
243.10106	100.0
325.77109	0.5
421.21710	6.6
422.22180	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	421.3672
Annotation	3beta,5alpha,6beta-Cholestanetriol
Peak:m/z	Relative Intensity
53.03924	1.2
55.01863	2.1
55.05503	13.6
56.48137	0.8
57.07060	8.3
59.24892	0.8
67.05492	20.7
68.61683	0.9
69.07053	22.2
71.08614	5.2
81.07040	4.9
83.08607	11.5
85.10199	1.2
91.05467	8.7
93.07022	67.3
95.04942	1.7
95.08588	38.9
97.06490	1.6
97.10135	6.8
105.07026	1.9
107.08608	8.2
109.06533	1.7
109.10133	2.2
111.08063	33.1
111.11684	1.6
113.44183	1.0
119.08591	1.9
119.25585	1.1
121.06485	4.1
121.10130	1.7
125.09605	4.0
127.07545	4.4
135.11658	1.4
139.07523	34.0
144.75497	1.1
149.14745	1.0
151.11250	1.3
153.09105	17.3
157.08598	2.0
163.11130	1.1
165.09158	1.2
167.10655	13.0
181.12202	8.3
193.12189	3.9
195.13788	6.8
207.13930	1.4
209.15393	5.0
223.16978	1.6
237.18481	1.4
265.21655	2.1
327.39014	1.4
403.35629	22.0
421.36673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.3669
Annotation	5beta-Cholestane-3alpha,7alpha,24-triol
Peak:m/z	Relative Intensity
53.03926	0.8
53.26796	0.5
53.70086	0.4
55.01866	2.3
55.05501	9.6
57.03437	1.0
57.07068	5.1
67.05484	13.2
69.07047	24.1
69.07402	1.1
71.08601	4.0
71.92236	0.5
72.04453	0.5
79.05469	0.9
81.07031	5.5
83.08590	11.1
91.05460	7.0
92.08758	0.7
92.09244	0.7
93.07017	48.2
95.04945	2.4
95.08578	27.3
97.06494	0.7
97.10139	5.6
105.07000	2.4
106.12759	0.6
107.08564	6.6
109.06500	1.0
109.10152	3.2
111.08057	25.4
111.11710	0.8
119.08578	2.3
121.06492	4.3
121.10135	3.1
122.89811	0.7
123.08047	1.4
125.09556	1.3
125.13240	0.6
127.07501	4.1
133.10095	0.9
135.07986	0.8
137.09554	1.1
139.07507	24.1
145.10124	0.8
151.11189	2.3
153.09064	15.2
157.08606	5.1
165.09114	1.1
165.12791	0.7
167.10643	9.5
181.12177	8.7
193.12242	2.2
195.13776	6.9
207.13736	3.7
209.15350	3.5
221.15425	1.2
223.16908	1.3
237.18489	2.5
251.20103	0.8
265.21573	4.2
277.21567	0.8
307.26370	0.7
335.29388	2.1
341.92401	0.7
347.29358	0.7
402.36176	0.8
403.35599	100.0
404.36060	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01873	1.8
55.05496	1.0
60.79543	0.8
61.92168	0.7
67.05486	1.9
68.17451	0.8
68.99771	1.3
75.40420	0.8
79.05475	3.9
81.07037	3.3
91.05466	2.1
91.17957	0.9
93.07040	1.7
93.21899	0.8
95.04925	4.1
95.08577	1.7
99.04456	1.6
105.07031	1.6
107.04939	72.0
109.06504	1.4
116.98666	0.9
121.02852	1.2
121.06493	1.7
125.05974	1.8
131.04971	1.8
135.03423	1.0
135.04405	5.2
137.05965	16.1
139.03903	1.9
141.07004	1.5
143.08591	1.0
145.06421	0.9
151.03928	1.3
151.07527	3.9
153.05457	3.8
161.05978	1.4
163.03799	1.4
165.05472	11.2
169.06444	3.5
171.04469	1.1
177.07127	1.1
181.06435	1.6
183.08025	0.9
193.04933	1.1
195.07964	1.5
197.05972	5.3
198.06726	1.1
203.07048	0.9
213.05446	1.1
222.37733	1.1
223.07584	3.2
225.05443	3.7
226.06227	1.3
229.08685	1.6
241.04930	4.1
243.10028	1.6
251.06998	5.1
255.06601	3.5
257.08023	100.0
283.09595	25.9
301.10663	15.5
403.32260	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	421.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07220	0.8
55.01865	1.9
55.05508	1.2
56.96531	1.0
57.03056	0.8
58.57280	1.0
67.05484	3.9
67.50230	0.9
68.99771	1.9
69.03426	1.2
70.13741	0.9
73.51359	1.0
79.05460	6.2
81.03419	1.0
81.07030	2.1
83.04999	1.2
85.02879	1.1
91.05466	6.2
93.07024	4.2
95.04940	6.0
97.10160	1.1
103.05463	1.6
105.06973	3.3
107.04932	100.0
107.08603	1.4
112.47000	1.0
119.04972	1.1
119.08586	1.4
121.06458	7.9
121.10133	1.5
123.04398	1.4
125.05973	1.4
131.08469	1.1
133.10075	1.0
135.04448	7.3
139.03899	1.4
145.10046	1.7
147.04401	2.3
149.05978	1.9
151.07605	1.2
153.05440	30.9
162.03038	1.3
165.05431	6.5
168.58748	1.0
175.11108	1.0
177.05447	31.9
181.06447	1.5
187.07579	1.3
201.05437	18.7
223.07532	1.6
227.06970	7.6
241.04904	1.9
245.08006	1.3
251.06799	1.1
255.06461	26.1
257.08038	4.5
269.08047	6.0
271.05869	1.3
271.09262	1.1
273.07574	4.5
281.04474	1.3
283.09589	7.9
287.09088	38.5
287.12250	1.4
299.09122	1.3
340.16824	1.0
393.13272	33.8
403.11420	2.2
421.12607	6.0
421.21765	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	420.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	4.4
54.81360	3.1
55.01863	5.7
55.05492	21.9
57.03423	17.8
57.07055	15.6
59.04982	3.5
61.02905	5.7
63.83907	2.6
67.05486	34.8
67.58923	2.4
69.03410	38.0
69.07047	29.9
71.04973	25.4
75.02721	3.1
79.05480	21.1
81.03407	6.1
81.07034	50.1
83.04955	11.9
83.08605	15.4
85.02885	88.2
85.03366	5.7
85.06523	100.0
87.04440	4.8
91.05459	20.4
93.07017	65.9
95.04949	14.4
95.08586	55.8
95.83080	2.7
97.02868	36.5
97.06494	12.4
99.04397	4.9
99.08055	4.9
105.07009	67.0
107.04935	6.5
107.08569	95.1
109.02827	6.8
109.06495	12.5
109.10135	46.9
111.08080	11.2
113.09577	3.3
117.06969	6.0
119.08556	79.9
121.06496	13.1
121.10129	74.4
123.04327	4.2
123.08070	18.0
123.11668	13.9
125.09623	15.9
127.03886	16.1
131.08542	14.5
133.10098	64.2
135.08051	21.4
135.11676	44.1
137.02277	3.1
137.06010	3.2
137.09619	19.0
137.13211	3.1
139.03853	4.6
139.07570	3.3
139.11179	5.8
145.04921	3.6
145.10097	67.7
147.08029	3.7
147.11661	48.6
148.06325	3.0
149.05881	5.0
149.09618	12.4
149.13231	10.9
151.07600	3.0
151.11218	5.8
151.14836	4.0
153.01761	6.0
153.09074	17.7
156.39412	3.0
157.10117	7.1
159.08060	4.0
159.11652	28.3
161.09576	3.3
161.13193	6.7
163.11169	20.1
163.14781	5.1
165.12698	16.1
167.07002	41.0
175.14775	52.7
177.12709	17.4
177.16365	14.9
179.07004	15.6
181.12209	4.8
187.14812	19.2
193.15826	45.7
205.12242	19.3
205.15797	38.8
211.16927	15.1
223.09642	6.0
223.13315	46.9
223.16870	33.0
237.02759	3.5
241.14331	11.5
241.17894	18.2
242.40732	3.5
249.11298	3.2
300.05920	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	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.10152	1.1
51.44137	1.1
52.95736	1.2
53.03933	5.5
55.01868	11.3
55.05500	7.3
56.96553	1.4
57.03424	17.2
57.07059	2.5
59.04996	3.2
61.02911	15.0
65.69537	1.3
67.05496	9.7
68.65821	1.3
69.03416	40.1
69.07059	7.0
70.06557	3.0
71.01331	1.7
71.04974	8.4
72.08113	1.7
73.02898	46.3
73.66630	1.3
79.05481	12.0
81.03410	21.3
81.07047	13.5
83.04971	22.4
83.08630	1.7
85.02891	100.0
85.06527	3.7
86.09678	1.6
87.04445	8.3
91.05457	73.7
92.09309	1.5
93.07026	36.9
95.04948	14.3
95.08590	18.8
97.02878	41.3
97.06506	11.7
98.97584	2.2
99.04447	13.9
105.07003	31.3
107.04933	8.0
107.08578	46.0
107.09283	1.9
109.02868	13.4
109.06496	25.9
109.10149	18.3
110.10419	1.8
111.04435	6.4
111.08082	7.6
113.02363	2.7
114.37622	1.5
115.03920	9.7
116.98639	1.6
117.06987	10.6
119.04922	2.9
119.08543	22.9
120.08120	1.7
121.06468	20.9
121.10117	58.0
123.04446	6.0
123.08033	23.6
123.11664	2.5
125.05965	7.8
125.09595	2.5
127.03883	15.6
129.07028	2.5
131.04935	2.4
131.08525	15.4
133.04970	7.0
133.06476	2.6
133.10094	15.5
135.04395	1.7
135.08037	24.1
135.11682	21.1
136.07477	1.6
137.02316	18.7
137.05949	16.9
137.09595	34.3
139.07492	18.2
139.11150	8.6
143.08534	2.7
144.09389	1.8
145.04945	12.8
145.06477	6.3
145.10085	18.2
147.04381	3.5
147.08054	7.8
147.11702	3.1
149.05975	18.6
149.09612	26.2
149.13242	3.1
151.11194	6.4
153.09055	3.0
155.03374	19.3
157.06430	1.8
157.08611	1.7
159.08046	3.2
159.11647	20.2
161.09581	13.0
163.06271	2.0
163.07466	14.0
163.11163	17.2
165.09081	15.3
167.06995	31.3
167.10628	20.4
175.11162	3.5
177.09100	6.9
177.12706	27.7
179.07089	1.8
179.10693	13.2
181.04817	1.6
181.08505	3.3
187.11179	7.6
193.12247	16.5
195.10138	2.7
197.11644	3.0
201.51007	1.5
205.08569	9.1
205.12204	46.6
209.11671	8.8
223.09608	7.3
223.13232	42.1
241.10587	6.0
241.14301	58.1
241.99202	1.6
376.16205	1.8
379.09839	2.8
420.18771	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
52.41525	0.6
54.81932	0.6
55.01864	1.3
57.03430	32.6
59.04986	4.9
60.04528	2.4
61.02901	1.1
68.63633	0.7
69.03416	87.8
73.02883	3.4
75.04455	4.1
79.05480	1.3
81.03394	3.5
85.02363	1.1
85.02890	61.3
87.04451	55.9
91.05460	100.0
97.02869	68.8
99.04435	3.8
105.07018	4.6
107.04910	6.6
109.02853	1.3
115.03912	57.0
117.05449	1.0
117.07015	0.9
119.08656	0.9
121.06496	1.0
127.03866	3.6
129.06960	1.7
131.08563	0.8
133.04938	50.2
133.06438	1.6
143.08501	0.8
145.04942	6.9
145.06409	1.6
145.71138	0.8
150.07603	7.6
161.04346	1.6
162.56898	0.8
177.05470	0.8
205.08609	1.0
217.08504	1.2
223.06018	0.9
223.09648	6.6
234.59273	0.9
241.06941	0.9
241.10658	1.1
253.10716	3.5
259.08063	3.4
277.09055	1.3
280.79877	0.9
295.10150	1.6
325.85504	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	420.2222
Annotation	Unknow
Peak:m/z	Relative Intensity
51.57496	0.9
53.03928	2.0
55.05500	6.0
56.22025	1.0
57.03421	1.2
58.25132	1.3
59.05004	1.2
61.02908	2.3
62.12241	1.1
67.05488	2.6
67.91870	1.4
69.03407	11.3
69.07050	2.1
71.04965	5.7
71.08641	1.4
73.02897	1.3
79.05480	3.2
81.03391	2.3
81.07035	13.7
83.04966	15.6
85.02898	31.3
85.66336	1.1
91.05461	6.7
93.07021	55.4
95.04944	5.5
95.08577	22.9
97.02871	5.5
97.06522	2.2
98.10435	1.4
99.04448	9.1
99.08088	6.7
105.07017	6.5
107.04946	2.5
107.08572	34.0
109.02857	2.1
109.06502	11.9
109.10162	3.0
111.04436	2.0
111.08054	12.8
117.07009	3.2
117.13460	1.4
119.08537	18.6
121.06510	11.3
121.10133	18.9
123.04429	1.7
123.08024	8.3
125.05923	1.6
125.09597	1.6
127.03893	1.7
131.08542	2.3
133.10092	14.3
135.08034	16.2
135.11668	50.3
137.05975	2.4
137.09595	98.8
139.07494	12.6
141.05446	1.6
145.10135	1.9
147.08092	1.7
149.05994	2.9
149.13232	19.2
151.11307	1.2
153.05457	8.5
153.09111	6.7
153.12698	1.8
159.11685	23.9
163.07523	7.0
163.11159	10.2
165.09116	1.6
166.60240	1.4
167.07057	1.6
175.11240	1.8
177.12709	100.0
179.10654	1.6
181.08521	27.7
195.13763	98.6
205.12239	15.2
223.13243	64.1
223.15332	2.6
241.14316	28.9
397.54117	1.3
419.18774	2.6
420.19193	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	420.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78461	0.6
53.03932	1.0
55.01863	6.1
55.05498	1.1
57.03430	20.3
59.04989	1.3
61.02911	17.1
66.03604	0.9
67.05509	1.0
69.03415	29.1
69.07054	2.2
69.57446	0.8
70.06581	1.9
71.01340	4.4
71.04978	3.9
73.02902	100.0
79.05470	1.8
81.03402	6.3
81.07037	9.2
82.07365	1.5
83.04959	4.9
84.04486	1.7
84.99660	0.8
85.02891	63.3
87.04436	3.7
91.03918	1.5
91.05453	4.6
93.07027	8.8
95.04975	3.4
95.08579	4.0
97.02873	39.2
97.06481	1.1
99.04438	1.6
105.07005	8.4
107.08597	10.7
109.02880	7.8
109.06504	9.2
109.10130	6.3
110.10486	1.1
115.03914	18.1
117.06991	1.5
119.08575	14.9
120.08094	1.3
120.08860	1.6
121.06484	5.1
121.10124	6.0
123.04372	1.2
123.08057	4.5
123.11658	1.8
127.03898	15.9
127.11143	1.7
131.08563	3.5
133.04939	12.0
133.10152	5.8
133.69949	1.0
135.08038	3.7
135.11665	6.8
136.07582	1.3
136.11086	1.1
136.12012	1.8
137.09583	1.3
139.03908	1.6
145.04933	18.3
145.06169	1.1
145.06410	0.9
145.10092	1.9
147.08096	1.1
147.11694	3.7
149.05949	1.6
150.07607	1.9
151.11183	1.7
159.11676	11.6
161.13255	3.7
163.06003	7.2
163.07315	1.2
163.11159	1.7
166.88184	0.9
176.74670	0.8
177.12733	4.9
187.11087	1.8
203.17975	4.7
204.18285	2.0
205.12242	13.5
221.18979	5.4
222.19312	3.6
223.05980	2.1
223.09648	1.5
223.13268	11.4
240.72675	1.1
241.07002	4.4
241.14270	1.4
259.08127	4.2
277.09128	1.3
295.10187	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.3514
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
54.61365	1.5
54.81808	2.3
55.05502	13.5
57.07055	4.3
67.05496	3.7
69.07055	28.3
71.08607	2.1
79.05458	9.4
81.07038	15.5
83.04972	4.0
83.08602	14.0
87.15813	1.7
91.05450	16.3
92.08614	3.3
93.07036	8.6
95.08582	8.8
102.51389	2.0
105.07019	9.2
107.08591	4.7
109.06503	27.1
115.48917	1.9
119.08539	3.9
121.10098	3.3
123.11700	2.1
125.05961	7.0
133.10194	2.1
137.05949	100.0
151.07533	16.7
155.07022	8.8
163.07414	2.4
165.09090	9.3
178.79694	1.8
179.10643	4.4
193.12230	9.0
205.12154	3.9
205.58031	1.9
221.15311	2.7
249.18420	2.3
288.86322	2.0
355.74884	1.9
401.34055	83.4
419.34598	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	420.1499
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60868	1.0
55.01869	4.9
57.03425	1.1
58.67704	0.9
61.02914	1.3
62.19853	0.9
69.03413	1.6
76.55609	1.1
79.05487	4.2
84.74815	0.9
85.02877	8.9
87.00835	1.1
91.05459	6.0
95.01317	1.3
95.04943	4.3
97.02881	4.4
101.07109	1.2
103.05444	4.9
105.07011	52.0
107.04948	8.9
109.02873	1.4
113.06047	2.2
115.05446	11.4
117.06993	1.4
120.08086	1.2
121.06471	1.3
123.04422	8.2
127.03892	2.4
131.04933	5.6
133.02725	1.1
133.06464	58.4
137.05963	1.8
140.04594	1.8
143.04982	1.2
143.06046	2.2
145.06511	6.8
147.04413	5.7
155.07068	1.9
157.06483	2.1
159.08080	1.2
161.05945	100.0
163.03912	1.4
163.07518	1.5
167.06979	19.5
170.06358	1.5
173.05983	4.3
175.03899	2.4
175.07538	4.2
177.05438	1.4
179.03363	1.2
179.06921	1.0
181.04898	1.7
185.05782	1.6
186.03055	1.4
187.07559	2.2
189.05476	1.9
190.06207	1.5
191.07011	2.1
193.08545	41.7
201.05406	2.3
205.04878	1.9
205.08621	5.1
207.06503	10.2
213.05396	1.4
219.06552	2.0
221.07986	1.8
223.06024	2.2
229.04819	4.4
231.06488	2.4
233.04472	7.3
233.08046	7.0
245.08009	2.2
247.06039	1.8
251.09024	14.1
259.06042	1.7
261.07483	8.7
275.08987	2.6
277.07095	1.9
279.08636	1.2
289.06985	2.2
293.10059	3.6
304.49072	1.0
305.10181	1.8
307.08090	9.7
367.10220	4.7
374.25137	1.1
385.11258	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	419.3516
Annotation	4beta,24S-dihydroxycholesterol
Peak:m/z	Relative Intensity
54.09440	2.1
55.05497	11.1
55.65171	1.8
55.94739	1.9
69.07056	24.4
71.08624	3.1
79.05461	6.0
81.07039	13.9
83.04970	3.3
83.08601	5.3
91.05456	10.0
95.08559	5.8
97.10149	4.3
105.07045	3.6
107.08582	3.1
109.06505	30.9
117.16921	2.4
119.08581	2.9
125.05934	4.6
137.05948	100.0
149.86481	2.7
151.07501	19.3
155.06979	9.3
163.11160	2.5
165.09122	4.9
179.10579	5.0
376.04800	2.8
401.34262	19.3
419.35080	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.1
53.03937	1.7
54.46743	0.9
55.01865	1.5
55.05505	10.4
57.07040	1.9
65.03907	1.3
67.05483	5.8
69.03404	4.2
69.07055	10.3
71.04973	18.4
79.05467	21.3
81.03358	1.6
81.07034	100.0
82.72310	0.9
83.08582	4.5
85.02907	7.5
85.06509	3.7
89.36188	1.1
91.05456	9.4
92.08709	1.4
93.07014	29.7
95.04919	4.4
95.08585	21.4
97.02908	1.3
97.06526	1.2
97.10125	2.1
99.08057	4.5
99.54969	1.0
103.05450	1.7
105.07013	22.5
107.04934	58.2
107.08572	61.3
109.06476	1.1
109.10136	23.1
113.32130	1.0
115.05426	1.2
117.06940	1.2
119.08549	31.2
121.10122	10.3
123.11677	17.5
125.09640	8.1
127.11160	10.6
129.06909	1.2
131.04929	1.0
131.08516	1.7
133.06422	4.1
133.10098	28.8
135.11662	89.3
137.05920	1.3
137.09657	1.1
137.13222	3.9
143.10670	14.3
145.10080	2.0
147.11676	14.6
149.13264	2.0
151.11131	1.6
153.12714	2.1
159.08099	1.9
159.11630	1.6
161.05931	1.3
161.13261	10.2
163.07497	1.5
163.14801	2.1
165.12724	1.3
167.07011	5.7
175.07188	1.0
177.05339	1.0
181.04851	6.1
191.06860	1.2
203.17906	30.1
205.08540	1.6
209.08112	1.2
221.18954	40.3
239.19952	5.9
249.11192	1.6
257.11569	1.3
313.44098	1.1
315.08624	2.1
330.11102	1.9
383.24231	1.1
414.10205	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2635
Annotation	Dendronobiloside B
Peak:m/z	Relative Intensity
52.78902	0.9
53.03925	1.3
55.01848	2.5
55.05493	7.3
57.07039	2.3
57.35331	0.9
59.04971	1.2
61.02904	1.1
65.04279	1.3
67.05483	8.8
69.03406	4.3
69.07053	14.4
71.04973	19.7
79.05481	14.2
81.07034	100.0
83.08569	1.4
85.02879	16.9
85.06504	1.3
91.05461	9.5
93.07018	40.4
95.04953	1.8
95.08574	24.1
97.02867	2.3
97.06489	4.2
99.04391	1.1
99.08054	5.8
103.05445	1.5
105.07011	50.2
107.04941	2.3
107.08579	42.9
109.06527	1.2
109.10139	38.3
117.07001	2.3
119.08559	91.5
121.10111	12.0
123.11690	9.9
127.11168	25.5
133.10109	16.9
135.11671	64.1
139.03886	6.5
147.11667	23.8
149.13271	5.0
155.10574	1.2
157.06392	1.3
157.10100	1.2
161.13197	8.0
167.07018	4.4
174.26833	1.2
175.07440	1.3
175.14897	1.2
181.04919	2.5
191.07007	2.3
203.17923	39.4
219.10077	1.7
221.18968	53.7
239.20035	4.5
257.21082	2.7
305.52258	1.3
330.10599	1.5
357.35220	1.3
370.27948	1.2
401.15640	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.5
53.03912	1.4
55.01875	2.0
55.05502	8.9
57.03442	1.2
57.07066	2.6
59.04992	2.2
65.50358	0.9
67.05489	10.2
67.75131	1.2
69.03422	1.9
69.07059	14.5
71.04971	14.9
75.10683	1.0
79.05482	16.5
81.03407	1.6
81.07037	100.0
83.08596	2.5
85.02893	11.9
85.06534	1.6
91.05459	9.9
93.07026	33.2
95.04949	2.2
95.08595	30.3
97.02873	4.3
97.06528	5.0
99.08088	2.5
105.03348	1.4
105.07010	42.8
105.07655	2.2
107.04956	1.7
107.08576	47.6
109.02874	1.3
109.10139	42.3
109.10854	2.0
114.95746	1.2
117.07006	2.0
119.08561	75.3
120.08115	1.4
121.10126	11.4
122.84399	1.2
123.04428	2.8
123.11684	15.3
125.09575	1.9
127.11170	20.9
129.07011	1.4
131.04865	1.2
131.08528	1.7
133.10118	22.6
135.11667	70.1
135.68179	1.2
137.13261	1.9
139.03928	1.4
143.08519	1.8
143.10670	2.2
145.06471	1.3
147.11670	22.7
149.13254	2.8
161.13216	9.3
163.06020	1.5
163.07565	2.2
163.14769	2.6
167.07005	2.3
183.94746	1.3
187.07481	1.2
197.11861	1.8
203.17924	42.7
204.18346	1.2
221.18980	63.7
239.20094	7.6
257.21136	4.2
260.04013	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.1478
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01849	0.6
61.88033	0.8
61.94141	0.9
67.05486	0.8
76.56415	0.8
79.05480	1.5
81.07024	1.3
82.57789	0.7
86.50896	0.8
95.04943	1.9
95.08595	1.0
107.04943	16.4
109.06487	3.2
119.08595	1.0
122.03627	4.3
125.05953	1.6
131.10358	0.8
135.04431	1.5
135.05421	0.8
165.05443	100.0
168.04143	1.5
230.58496	0.9
266.05524	1.0
281.07916	0.9
282.07928	0.9
419.14838	19.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
54.51578	0.1
55.01857	0.2
57.03427	9.9
61.02911	2.2
64.33528	0.2
66.71891	0.1
68.99767	0.7
69.03403	0.7
71.01349	0.6
73.02897	16.7
79.05485	0.2
85.02894	0.3
93.07024	0.2
96.88496	0.2
103.26788	0.2
105.03374	0.4
107.04951	0.8
109.02889	0.3
111.00789	1.4
114.54318	0.2
115.03900	0.7
121.02042	0.3
121.02836	4.9
127.03886	0.2
129.06999	0.2
133.02827	0.7
135.04411	0.2
137.02286	1.3
145.06412	0.4
147.04404	0.8
153.01801	6.9
157.06490	0.7
165.01793	2.8
171.04388	0.2
178.71309	0.2
183.02858	1.5
185.05936	0.4
203.06972	0.3
213.05424	2.3
231.06529	0.9
241.04927	1.4
253.17378	0.2
258.05176	1.7
259.05847	0.7
269.04227	0.2
287.05432	100.0
288.05710	0.7
325.31958	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	419.0968
Annotation	Kaempferol-3-O-alpha-L-arabinoside
Peak:m/z	Relative Intensity
50.78823	0.1
55.01870	0.1
57.03420	1.2
57.60412	0.1
61.02908	2.4
65.03922	0.1
67.05466	0.1
68.99768	0.7
69.03408	0.8
69.07036	0.1
71.01342	0.5
72.81268	0.1
73.02896	17.3
79.05485	0.2
81.07030	0.3
85.02893	0.9
85.06523	0.6
87.04479	0.1
87.66203	0.1
91.05450	0.1
93.07010	0.2
95.04934	0.1
95.08595	0.5
97.02863	0.3
99.08015	0.1
105.03394	0.2
105.07017	0.2
107.04925	0.6
107.08559	0.1
109.02849	0.2
109.10108	0.1
111.00777	1.0
112.50048	0.1
115.03910	0.8
119.08599	0.1
121.02831	3.9
121.10105	0.2
133.02771	0.7
137.02303	1.3
141.07005	0.2
141.50815	0.1
145.06483	0.1
147.04369	0.8
153.01799	5.8
157.06435	0.6
157.12271	0.2
161.05937	0.3
165.01793	2.6
165.03192	0.1
169.06410	0.1
171.04372	0.2
175.03909	0.1
183.02798	1.2
185.05940	1.0
189.05415	0.2
197.05888	0.2
203.07014	0.1
213.05402	2.0
231.06464	1.2
241.04875	1.3
241.08565	0.3
258.05191	2.0
259.05969	0.7
269.04407	0.1
287.05426	100.0
288.05798	1.2
314.94052	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	418.3886
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81296	0.9
56.47261	0.7
57.07069	9.3
58.06591	4.5
64.32932	0.8
69.07056	1.7
70.06577	28.6
71.08614	6.0
72.08138	4.8
76.47124	0.8
80.08743	0.9
80.31110	0.8
84.08130	1.7
86.09682	5.2
88.07616	9.6
99.28273	0.9
99.67520	0.9
102.09168	3.6
103.62733	1.0
107.04946	12.4
108.05275	1.4
132.10167	11.5
146.11745	11.0
151.07442	1.0
175.07468	1.3
177.84816	0.9
191.07196	0.9
268.29959	3.5
270.00449	0.9
294.31549	4.3
312.32614	13.4
356.35159	70.7
373.67648	0.9
418.38846	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2795
Annotation	Unknow
Peak:m/z	Relative Intensity
54.29873	1.5
55.01867	2.1
55.05500	10.8
57.03428	3.7
57.07072	2.2
61.02897	3.7
66.60931	1.3
67.05489	19.2
69.03415	13.3
69.07050	20.1
71.04951	3.2
73.02892	1.6
79.05466	19.2
81.03386	3.0
81.07036	44.8
83.04973	1.9
83.08593	3.4
85.02895	39.8
91.05463	21.0
93.07016	28.3
95.04938	6.6
95.08581	43.6
97.02863	13.2
97.06484	7.9
97.10163	2.7
99.04430	1.8
105.07011	50.1
107.04952	3.3
107.08573	32.9
109.02847	2.2
109.06505	3.1
109.10143	34.8
119.08549	43.7
121.10127	27.2
123.04309	1.8
123.10912	1.7
123.11668	15.5
127.03860	8.9
131.08527	3.2
132.22891	1.6
133.10098	20.9
135.11655	7.9
137.09644	1.9
137.13229	7.4
139.05087	1.3
145.04997	2.2
145.06416	1.9
145.10101	3.3
147.11662	80.9
149.13245	3.5
159.11656	3.4
161.06039	1.4
161.13231	13.9
163.14796	3.1
165.12694	6.3
167.07011	7.1
167.47649	1.4
168.07352	3.7
175.14801	7.1
177.16464	1.6
181.04904	2.0
193.19341	2.3
201.16425	1.9
203.17914	100.0
207.40016	1.6
221.18964	40.7
365.23206	3.6
418.30579	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	418.2798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.8
55.05497	6.5
57.03417	3.6
57.07058	1.1
59.05014	0.8
60.70390	0.8
61.02906	6.4
67.05492	15.5
69.03407	10.6
69.07053	15.2
71.04971	1.8
72.29401	0.8
73.02906	1.0
79.05471	15.8
81.03397	5.9
81.07037	42.9
83.08591	5.5
85.02421	1.8
85.02892	34.1
85.06495	1.3
91.03909	1.2
91.05464	18.3
93.07027	26.5
95.04971	5.1
95.08587	49.0
97.02874	12.0
97.06495	6.3
97.10145	2.2
99.04424	1.7
99.08068	1.1
99.10913	0.9
101.05991	1.6
105.07012	51.2
107.04964	1.6
107.08571	27.2
109.02863	2.2
109.06470	1.1
109.10147	36.6
117.07014	2.1
119.08561	50.7
121.10106	16.3
123.11684	13.5
127.03910	5.5
131.08540	4.5
131.12910	1.0
133.10110	32.0
135.11662	11.7
137.09595	1.8
137.13240	1.7
139.03920	1.9
143.08537	1.0
145.04939	1.9
145.10110	4.7
147.11667	94.0
157.10007	1.3
159.11697	1.7
161.13246	11.4
163.14777	3.8
165.12779	4.0
167.06995	4.0
175.14815	10.0
180.08611	1.6
193.15878	5.5
202.16705	1.4
203.14673	2.7
203.17931	100.0
219.46295	1.0
221.15303	6.2
221.18959	21.6
242.95065	1.0
243.72943	1.0
245.06935	1.1
256.93759	1.1
264.45850	1.2
285.10294	1.4
437.63077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2793
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.05505	4.8
56.01256	0.6
57.03432	1.5
57.07059	1.4
59.04984	1.0
61.02912	1.3
64.44517	0.7
65.03919	0.8
67.05495	9.2
69.03407	4.3
69.07043	11.7
69.32272	0.8
71.04970	1.2
79.05016	0.8
79.05467	7.5
81.03428	1.3
81.07037	29.9
83.08604	3.6
85.02885	19.6
85.06534	1.0
91.05459	10.3
93.07021	13.4
95.04945	1.1
95.08582	47.0
97.02873	5.5
97.06516	1.8
97.10163	1.8
98.21631	0.8
99.04450	1.2
105.07013	48.8
107.04974	1.8
107.08576	14.0
109.02840	1.0
109.06522	1.1
109.10136	27.6
117.07033	1.2
119.08556	59.4
121.10104	14.2
123.11676	15.4
127.03893	1.7
129.07007	0.8
131.08528	1.3
133.10095	21.9
135.11700	1.9
135.58279	0.8
137.09590	1.6
137.13193	0.8
145.05026	1.0
145.10097	1.7
147.11658	54.9
161.13223	13.3
163.14784	4.6
165.12755	1.5
167.07063	1.6
168.07330	1.4
175.14745	1.8
181.04887	0.9
203.17915	100.0
221.18962	15.3
357.65445	0.9
365.22836	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2797
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	1.7
53.03951	1.4
55.01852	1.3
55.05504	7.1
57.03425	2.3
57.31567	1.1
61.02900	7.5
67.05492	14.5
69.03398	10.8
69.07054	17.1
71.04977	3.3
73.02917	2.0
79.05460	12.3
81.03394	5.6
81.06586	2.8
81.07034	41.6
83.04962	1.6
83.08585	2.6
85.02883	34.0
85.06547	2.0
85.14853	1.3
86.89468	1.2
91.05471	20.3
93.07025	24.4
95.04996	2.5
95.08583	46.8
97.02876	12.2
97.06516	6.7
97.10174	1.9
99.04422	1.6
105.07008	60.9
107.04967	5.2
107.08588	25.8
109.02885	1.4
109.06507	1.9
109.10136	33.2
111.08077	1.3
117.07024	2.5
119.08552	58.4
121.10139	16.5
123.04408	1.4
123.11692	13.9
127.03887	7.1
131.04900	1.4
131.08556	1.7
133.10091	34.6
135.11691	11.1
137.09665	1.9
137.13275	2.4
139.03911	5.7
143.08597	1.6
145.04974	2.1
147.11667	100.0
149.13295	1.5
159.11697	1.9
161.13243	15.8
165.12715	1.4
167.07005	7.4
175.14734	10.5
181.04982	2.1
184.79860	1.4
193.15862	5.5
201.16339	1.6
203.17924	92.9
221.15413	5.9
221.18968	21.1
239.16432	2.3
288.12936	1.5
344.40952	1.5
400.26233	2.4
418.26752	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	418.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01486	0.6
51.26417	0.6
53.03912	0.7
55.01855	0.6
57.03413	1.0
58.64302	0.5
61.02906	0.9
69.03399	3.2
71.04966	0.7
85.02877	13.6
85.40479	0.8
87.04465	0.6
87.16663	0.6
89.06004	100.0
92.61872	0.7
97.02865	3.4
107.07050	3.3
107.16995	0.6
109.02806	0.9
127.03910	2.6
133.08568	34.8
133.10088	1.1
151.09624	2.9
177.11230	5.1
195.12189	0.8
239.14832	78.5
259.65912	0.8
346.12100	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45163	0.1
52.46016	0.1
53.39584	0.1
56.80610	0.1
57.13766	0.1
61.38637	0.1
73.06529	0.2
75.35435	0.1
77.87930	0.2
79.05474	0.3
85.02907	0.2
86.10287	0.2
91.05467	0.3
93.07021	0.9
103.05448	5.0
107.04929	1.8
120.08081	100.0
121.07577	0.1
121.08446	0.3
127.03864	0.2
131.04889	2.2
149.05936	1.7
166.08601	25.8
226.82426	0.1
269.48935	0.2
296.92905	0.2
359.30487	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.2066
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96230	0.8
53.03931	5.7
55.01847	2.3
55.05510	11.7
56.19517	0.8
57.03430	1.3
58.84703	0.8
58.95645	0.9
61.02907	1.6
61.41063	0.8
65.03917	2.0
67.05492	6.4
69.03412	7.4
69.07062	10.3
71.04968	1.7
79.05480	23.5
81.03391	4.6
81.07041	18.3
83.04948	2.1
83.08605	1.6
85.02894	12.3
85.06516	1.3
87.00803	4.1
87.95364	0.9
91.05463	33.8
93.07024	100.0
94.07831	1.2
95.04954	10.5
95.08604	11.4
97.02863	5.5
97.06499	1.5
99.04435	4.2
105.01877	2.2
105.04494	1.9
105.07018	22.9
107.04952	1.7
107.08575	95.9
108.04451	1.6
109.02840	5.8
109.06517	9.6
109.10136	6.1
111.04411	1.0
119.06047	2.1
119.08546	11.9
121.10101	7.1
123.08068	1.5
123.11669	2.3
127.03920	7.8
131.08556	1.3
133.10112	6.3
135.08022	1.7
135.11665	25.3
137.05919	1.1
145.04915	2.2
145.10106	2.2
146.10551	1.3
147.11668	7.3
154.20950	0.9
159.02890	1.8
161.13190	1.8
167.07047	8.9
168.07318	4.6
172.09576	1.0
175.14772	2.3
203.17905	7.5
221.15332	9.1
221.18768	1.1
239.16492	1.1
418.15384	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	418.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
53.26352	0.3
55.05503	82.5
60.41651	0.3
61.02910	0.4
61.23146	0.4
65.03922	0.6
68.48552	0.3
69.03418	0.5
71.21328	0.3
73.06532	18.5
74.12358	0.4
79.89698	0.4
85.02893	3.3
91.07568	34.8
92.08692	0.6
97.02861	0.6
121.02831	3.6
147.02820	0.4
149.02315	100.0
152.31995	0.4
156.58430	0.5
167.03343	1.8
221.08012	10.8
239.09128	4.0
249.17789	0.4
282.80109	0.4
333.47083	0.5
398.14847	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	418.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
50.53526	0.2
53.03942	0.3
55.05263	0.3
55.05506	4.8
65.03920	0.4
69.03418	0.4
70.12857	0.2
73.06530	1.8
81.03384	0.3
85.02865	1.6
91.07560	0.3
93.07014	0.3
97.02865	0.4
111.04433	0.2
115.79435	0.2
119.08584	0.2
121.02838	2.6
122.99626	0.2
125.52208	0.2
129.07025	0.3
131.08525	0.2
141.02043	0.2
148.08687	0.2
149.02328	100.0
150.02664	1.0
161.05974	0.3
167.03380	1.3
175.07510	2.6
185.06105	0.2
193.12381	0.3
203.07002	1.4
221.08060	14.8
221.11580	0.4
239.09065	0.4
277.87814	0.2
405.14771	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.3357
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23722	7.9
55.05501	19.2
57.07073	45.0
65.85328	8.6
67.05486	9.7
69.07047	60.7
71.08594	9.5
79.05472	10.9
81.07029	19.8
83.04930	10.0
83.08598	17.9
85.10208	10.7
92.09335	21.3
93.07047	20.6
95.08586	44.9
97.06513	11.6
109.10136	16.6
120.89671	9.3
121.10075	13.6
125.05973	23.5
129.01817	100.0
151.07535	65.0
153.05434	23.2
157.01239	12.2
193.08537	24.6
209.43431	12.2
271.98227	11.4
282.79678	11.5
375.99454	10.1
417.33752	41.4
444.87238	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	418.1243
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81723	3.2
55.05501	3.8
56.01558	2.4
56.96585	2.0
59.52323	2.3
65.81987	2.3
67.05482	4.6
67.06071	2.2
69.03413	12.6
69.07055	4.1
71.05003	3.3
72.08138	3.3
77.07832	2.6
79.05486	3.3
81.03374	2.7
81.07018	6.1
82.79659	2.3
85.02884	15.8
86.09728	3.1
91.05470	4.9
93.07024	5.4
95.08579	3.1
97.02851	5.2
97.06496	3.1
105.07038	12.1
107.08601	5.2
109.02888	2.8
109.06519	4.1
109.10158	4.7
119.08533	4.5
121.10108	2.4
127.03933	3.2
131.08521	3.1
133.10065	6.1
139.16013	2.5
143.08583	3.4
145.10075	9.9
147.11658	5.2
155.06038	34.0
167.05972	5.9
168.06741	3.2
169.07573	47.6
173.13194	2.9
175.14728	3.6
179.05995	16.2
181.07509	2.9
183.05496	25.6
183.09090	2.9
185.07066	13.9
193.07614	16.4
195.05511	42.6
196.06281	23.0
197.07100	41.4
198.05525	10.7
201.06548	3.8
201.16388	3.3
203.14275	2.9
207.05508	10.6
209.07018	3.4
211.05125	3.0
211.08781	4.6
213.06528	35.5
220.17567	3.1
221.07031	31.9
221.15260	5.2
225.06552	62.4
227.11760	16.6
228.12068	4.3
229.06079	27.4
237.06621	5.4
237.18391	4.3
238.07413	5.3
239.08093	45.4
241.06084	5.5
243.07526	11.4
249.06567	12.8
255.11327	13.6
255.57385	3.2
256.11539	13.2
257.05518	4.1
267.07639	23.2
271.07104	41.2
277.05981	19.6
285.08682	45.6
295.07089	41.8
313.08115	38.3
331.08914	3.8
358.10306	34.8
400.11359	37.5
418.12344	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	2.7
53.03929	3.3
55.01859	3.0
55.05502	15.8
57.03423	2.9
57.07048	2.5
59.04975	4.2
61.14848	1.5
64.18797	1.9
67.05489	19.1
69.03404	10.6
69.07044	16.4
71.04971	37.9
73.06544	3.2
77.12254	2.0
78.22516	1.5
79.05468	25.7
81.07029	47.0
83.04951	3.0
83.08596	4.3
85.02877	9.5
85.06522	4.3
91.05462	25.8
93.07017	35.1
95.04922	6.8
95.08587	39.7
97.02823	2.7
97.06515	15.0
97.10153	3.1
99.08056	11.2
103.05462	4.2
105.07007	81.4
107.04926	4.3
107.08575	40.5
109.06481	4.1
109.10129	24.4
117.07016	8.3
119.08537	25.2
121.10115	23.1
123.04416	4.3
123.08051	2.1
123.11684	4.6
125.09610	23.6
127.07486	3.4
127.11152	3.9
131.04889	3.2
131.08556	19.1
133.09070	3.3
133.10097	100.0
135.08011	3.5
135.11714	2.7
143.08571	2.0
143.10667	23.4
145.10078	16.6
147.11658	18.0
149.13237	14.6
151.11183	7.3
153.01788	9.9
159.11667	15.9
161.13211	8.7
167.06992	30.9
167.14282	29.7
173.05905	2.0
173.13210	2.8
181.04910	14.0
191.18031	2.2
201.05699	2.1
201.16336	10.9
219.17346	31.9
220.17719	1.9
237.18411	9.9
255.10071	7.5
267.06458	11.6
297.07602	4.3
313.66785	1.8
387.14786	2.0
417.15329	2.7
417.24615	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	417.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.9
54.81619	1.8
55.05498	11.7
57.03440	2.0
59.04955	1.7
67.05493	11.2
69.03403	8.2
69.07057	14.8
69.07362	1.5
71.04972	37.4
73.06526	4.2
79.05476	22.2
81.07040	49.2
83.04975	2.3
83.08598	4.3
84.08119	1.8
85.02872	7.8
85.06529	4.0
91.05456	25.7
93.07021	32.8
95.04939	3.1
95.08585	42.2
97.02892	2.6
97.06512	12.1
99.08056	13.3
101.55352	2.2
105.07017	71.4
107.04940	4.5
107.08575	33.9
109.06515	2.8
109.10139	20.6
111.04359	2.0
117.07011	9.6
119.08579	18.7
121.10121	18.6
123.04427	4.5
123.08031	2.5
123.11703	8.8
125.09597	23.1
127.07544	2.5
127.11135	2.3
131.08562	16.2
133.10103	100.0
135.11710	2.4
139.03896	2.6
143.10664	20.4
145.10060	14.3
147.11629	13.6
149.13231	17.5
151.11157	2.7
153.01767	2.5
157.59489	1.7
159.11676	11.8
161.13318	3.1
167.07011	14.8
167.14281	28.8
181.04935	6.9
201.16354	9.7
219.17415	39.4
237.18443	4.1
417.20859	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	417.1747
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81181	0.2
53.00311	0.3
53.03925	0.6
55.01861	0.5
55.05501	3.6
57.03424	14.0
59.04972	1.5
61.02910	2.3
67.05511	0.3
68.24960	0.3
68.80658	0.3
69.03410	4.0
70.06564	1.3
71.01325	1.8
71.04972	40.8
73.02886	6.7
73.06536	0.5
75.04455	11.3
75.06393	0.3
76.74571	0.3
79.05477	0.4
81.03396	0.7
83.04961	8.9
85.02882	100.0
86.09692	1.5
87.04465	2.6
91.05453	38.0
93.07027	0.4
95.04970	0.4
95.08582	0.4
97.02865	9.9
98.50592	0.3
99.04432	2.1
101.05973	1.1
102.90079	0.4
103.03912	1.3
104.35810	0.3
105.07014	4.1
109.02842	1.3
109.06496	0.5
111.04408	3.8
115.03892	0.4
117.07015	0.7
119.08565	0.3
121.10110	0.8
123.04368	0.5
127.03863	4.1
128.06091	0.3
129.05440	19.5
129.06982	1.2
133.06480	1.8
139.03801	0.4
145.04944	1.8
145.06473	1.4
145.10130	0.4
147.06493	12.6
151.03860	0.6
163.03938	0.4
163.06154	0.4
165.07550	1.3
175.07527	1.2
225.07639	0.5
249.36821	0.4
255.08557	1.7
272.17578	0.3
294.24841	0.3
309.11923	1.3
417.21213	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1539
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
53.56749	0.3
54.80936	0.2
55.01846	1.4
55.05492	0.6
56.96571	0.3
57.03426	1.4
61.02905	1.7
67.05482	1.5
69.03407	4.7
69.07053	2.1
71.04970	1.5
73.02905	0.6
79.05467	3.0
81.03396	2.7
81.07028	3.6
83.04955	0.4
85.02883	15.1
85.06529	0.4
91.03932	0.4
91.05457	2.5
93.07010	3.4
95.04952	1.5
95.08594	2.1
97.02857	4.5
97.06515	2.9
99.04440	1.1
99.08052	0.3
101.05988	0.5
103.03934	0.5
105.07009	4.1
106.07360	0.4
107.04929	100.0
107.08566	2.5
108.05291	0.3
109.02857	0.6
109.10126	1.8
115.03877	0.3
115.05397	0.7
117.06986	1.8
118.07314	0.3
119.08559	1.6
121.06473	4.6
121.10109	1.4
123.04370	0.7
123.08054	0.6
125.09602	0.6
127.03890	2.0
127.11175	0.4
129.07048	0.4
131.04900	1.8
131.08533	1.5
133.06392	0.5
133.10107	4.3
135.04372	1.3
135.08044	0.4
135.11674	1.1
144.05692	0.4
145.04941	2.1
145.06435	2.5
145.10100	2.8
146.10422	0.3
147.04430	1.1
147.08063	0.3
147.11656	0.6
149.05937	9.0
149.13203	0.4
151.03938	0.3
151.11110	0.3
153.01811	2.5
159.11624	2.6
160.11943	0.4
161.05928	3.1
161.13219	0.6
167.07001	5.5
173.05977	2.3
173.13232	0.5
181.04924	2.2
185.05939	0.5
191.06931	1.3
197.05884	0.4
201.16336	2.8
202.16745	0.3
203.07022	0.4
215.07027	0.6
219.17363	1.4
233.07869	0.4
237.18327	0.6
252.48755	0.4
255.10091	9.2
257.07776	0.3
265.08426	0.5
267.10123	2.4
269.10184	0.6
279.10175	0.4
297.11160	1.9
321.11047	1.0
325.41513	0.3
351.12411	0.3
371.11163	1.1
381.13226	0.4
417.15311	1.8
417.20337	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.154
Annotation	Comazaphilone C
Peak:m/z	Relative Intensity
54.70489	0.2
55.01846	0.5
55.05484	1.6
57.03414	0.2
59.05021	0.3
65.03909	1.2
67.05482	2.0
69.03398	1.5
69.07034	1.6
71.04961	0.6
78.04692	2.5
79.05472	3.5
81.03371	0.5
81.07016	3.9
82.04148	0.3
83.04977	0.4
83.08579	0.4
85.02889	2.8
85.06516	0.6
91.05465	2.1
92.08691	0.6
93.03352	0.4
93.07025	2.2
95.04897	1.2
95.08589	2.3
97.02852	0.6
97.06477	1.8
103.05413	0.6
105.07014	3.1
106.04136	1.5
107.04919	1.6
107.08548	1.8
109.02805	0.6
109.06503	0.4
109.10138	1.7
110.03633	0.3
110.54267	0.3
111.04467	0.4
111.08043	0.4
113.99925	0.3
115.05437	3.9
117.06995	7.8
119.08529	1.9
121.06481	0.3
121.10142	2.3
121.47636	0.3
122.03683	0.3
123.04396	8.7
123.08064	0.6
123.11685	0.6
124.05209	3.2
125.05962	0.5
127.03905	0.7
127.05330	0.5
128.06213	0.3
130.04022	0.3
131.04884	1.8
131.08534	1.2
133.10078	1.7
134.03557	0.3
135.04356	0.4
135.11662	0.7
137.05965	1.3
139.03909	0.5
142.02550	0.5
143.10625	0.3
144.05698	0.5
145.06461	11.2
145.10088	1.8
147.08044	0.4
147.11670	0.8
151.03841	2.1
152.04675	3.1
153.01775	2.6
155.05959	3.0
159.11581	2.1
161.05994	0.5
161.13165	1.2
167.06999	100.0
171.06569	1.2
173.05948	15.4
173.13202	0.5
181.03311	0.7
181.04910	18.3
191.06927	0.3
191.17892	0.3
194.25500	0.3
195.02789	0.6
201.05507	0.6
201.16513	0.9
205.08549	2.2
219.17413	1.5
233.08118	3.5
235.09608	1.4
237.18494	1.3
255.10034	1.1
255.19502	0.5
285.56250	0.3
340.76108	0.4
363.28867	0.4
373.08078	0.4
387.14258	9.1
417.15369	22.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	417.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.2
55.01855	5.5
55.05496	5.8
56.96534	1.4
57.03420	1.8
57.07057	2.4
65.03894	2.2
67.05479	10.0
69.03402	8.7
69.07060	13.2
70.17477	1.3
71.08623	2.0
73.02926	1.6
76.11984	1.6
78.04681	3.5
79.05476	18.8
81.03389	1.5
81.07027	17.2
83.04945	2.3
83.08600	2.3
85.02895	14.2
91.05452	23.0
93.07023	23.7
95.04936	17.5
95.08575	16.6
97.02834	3.2
97.06491	6.2
97.10152	1.7
101.06036	1.5
103.05434	21.2
103.15942	1.3
104.06232	19.6
105.03368	3.2
105.07009	63.3
106.04144	1.7
106.07326	3.2
106.69843	1.7
107.04919	43.5
107.08566	14.2
108.08902	1.7
109.02843	1.7
109.06466	3.0
109.10127	16.0
111.04440	1.8
115.05405	18.1
117.03335	5.8
117.06978	10.0
118.04111	2.5
119.04895	3.3
119.08529	17.3
121.06475	6.7
121.10133	11.6
123.04398	22.0
123.08044	1.7
123.11684	2.6
125.06023	2.0
130.04108	1.6
131.04903	100.0
131.08554	13.9
132.05679	91.9
133.02821	18.4
133.06476	21.9
133.10081	11.5
135.08031	5.9
135.11658	24.9
136.12021	6.3
137.05981	2.2
138.03072	1.7
143.08530	2.2
145.06418	10.4
145.10085	28.5
146.03596	7.8
146.10448	6.1
147.04376	3.2
147.11644	3.4
148.05174	2.4
149.02341	2.1
149.05998	13.9
149.13171	5.5
151.03865	5.8
153.01813	6.6
159.04254	1.9
159.11674	16.8
160.05159	29.1
160.12064	3.6
161.02264	8.2
161.05943	54.4
162.06731	3.0
163.03833	6.9
163.07491	3.6
163.11124	1.5
165.05424	7.5
167.06998	44.1
173.05951	5.8
173.13159	2.7
175.07518	9.7
177.05434	19.7
178.06253	2.0
179.03299	11.2
180.07773	2.9
181.04909	16.9
182.09340	2.5
191.07011	11.3
191.17856	2.7
192.07759	38.3
193.08517	2.2
194.02132	1.9
201.16364	20.5
202.16676	7.3
207.02812	15.6
209.04410	2.3
219.17336	12.3
220.17712	3.5
233.08221	2.1
236.04750	2.1
255.06468	46.6
255.09419	3.2
255.09901	2.9
255.19432	2.9
279.06268	1.9
321.07321	2.5
339.08377	2.2
367.03381	2.6
367.08020	75.9
399.10538	9.8
417.11258	17.8
417.21332	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	417.1179
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.0
53.03920	1.9
55.01856	3.4
55.05497	7.2
57.03430	3.4
57.07063	2.2
62.30626	1.5
67.05486	23.5
67.54010	2.1
67.93164	1.8
69.03408	10.5
69.07055	18.9
71.04958	2.4
77.03913	2.3
78.04688	3.3
79.05473	32.2
81.03402	3.9
81.07037	35.5
83.04946	3.2
83.08598	4.0
85.02888	19.3
85.06518	2.9
87.04436	2.2
90.04671	2.6
91.05457	36.3
92.14509	2.0
93.07027	36.7
94.07342	3.5
95.04951	23.4
95.08585	31.5
96.23766	1.8
97.02843	8.0
97.06509	2.8
100.22647	2.0
102.04628	2.4
102.65974	2.1
103.05457	20.5
104.06235	17.1
105.03348	2.1
105.07012	77.7
106.07318	2.7
107.04938	43.3
107.08569	42.8
108.08902	2.9
109.02854	2.2
109.06464	3.6
109.10133	28.5
111.08073	2.9
115.05448	16.8
117.03413	6.0
117.06998	18.5
117.63234	1.9
118.04174	3.2
119.04897	8.6
119.08559	22.0
120.08866	2.8
121.06452	9.5
121.09370	2.0
121.10107	18.9
123.04403	19.3
123.11662	9.1
127.03918	2.7
130.04079	3.1
130.07805	2.6
131.04904	99.3
131.08542	24.7
132.05690	100.0
133.02823	18.6
133.06477	25.2
133.10092	18.1
134.10493	2.4
135.04495	2.6
135.08017	12.3
135.11661	49.6
136.11998	9.0
137.05969	3.4
143.04927	3.4
143.05998	2.4
143.08548	3.9
145.04997	3.2
145.06467	3.9
145.10094	41.0
146.03589	4.4
146.10417	8.2
147.04364	8.6
147.11665	4.3
148.01537	2.7
148.05154	4.7
149.02350	3.2
149.05931	11.2
149.09567	2.9
149.13232	8.4
151.03854	8.3
151.07520	2.9
151.11148	2.1
153.01797	8.3
159.11658	31.4
160.05188	35.0
160.12027	4.2
161.02313	9.1
161.05937	72.0
161.13231	4.1
162.06781	2.8
163.03809	8.1
163.11131	4.0
165.05402	8.1
165.09038	3.1
167.07014	51.2
173.05931	7.3
173.13280	7.0
175.07494	12.5
176.85896	2.1
177.05415	19.2
178.06161	2.9
179.03334	12.8
179.07111	2.2
180.07797	8.3
181.04926	16.1
191.06981	11.3
191.14305	2.6
191.17896	13.1
192.07748	40.5
192.18205	2.3
193.08466	2.8
195.30232	2.2
201.16344	25.4
202.16702	13.5
207.02812	14.1
217.07928	2.0
219.17400	19.6
220.17766	4.4
237.10245	3.3
237.18304	2.1
255.06470	40.4
255.10030	6.5
255.19435	2.3
278.92773	2.2
307.06024	2.0
339.08606	3.1
339.56656	2.5
349.07193	2.2
353.32452	2.1
367.08038	83.1
387.10468	2.8
399.10834	10.0
417.11227	17.3
417.16458	3.0
417.21262	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	416.9863
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60414	0.5
56.96557	10.7
64.33502	0.5
71.95254	0.7
97.02891	2.8
98.97564	100.0
99.97942	0.7
105.93494	0.6
116.98601	99.0
119.01913	2.9
134.99637	54.7
137.02878	0.7
153.00668	8.7
156.97456	4.0
158.01134	0.6
165.15788	0.6
168.72305	0.6
172.94243	4.2
174.98555	5.5
177.00905	3.5
182.99088	0.9
190.95335	6.5
194.99020	1.1
198.98480	6.3
201.00070	1.4
208.96443	3.0
213.00034	5.5
214.95299	1.2
216.99367	0.9
219.01932	5.1
223.99426	0.6
232.96429	10.6
234.99898	0.8
236.99760	0.6
240.99451	0.8
250.97458	7.5
256.96317	10.9
258.99796	5.6
261.00006	1.0
261.02975	14.2
262.03159	4.4
263.02881	3.7
264.02893	0.7
264.99365	0.8
274.97452	95.2
275.98114	0.9
276.97607	4.2
277.00882	12.5
278.01047	2.5
279.00662	1.4
282.99921	6.8
284.00092	2.3
284.99817	2.5
292.98505	86.4
293.98956	1.1
294.98474	2.7
297.99158	1.4
301.01163	20.8
302.01132	4.3
303.00787	4.1
316.00076	1.0
318.98520	1.2
319.02264	0.9
357.04355	5.6
398.97607	3.9
416.98737	12.2
422.01886	0.8
434.99673	2.9
443.02045	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	416.2638
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07591	2.2
52.54348	1.8
53.03930	2.6
54.82189	2.3
55.05507	5.4
57.03415	4.1
57.07066	4.0
61.02901	11.3
67.05485	10.0
69.03426	19.9
69.07058	17.4
71.04973	3.8
71.08622	2.7
79.05478	20.1
80.48069	2.4
81.03411	5.2
81.07031	22.6
83.04939	3.9
85.02892	47.5
89.84276	2.2
91.05457	20.6
93.07036	21.1
93.72212	2.3
95.08579	21.6
97.02852	12.9
99.04463	4.3
100.53833	2.3
105.07006	41.6
107.08591	30.2
109.10139	22.7
115.05471	3.0
117.06998	21.8
119.08562	32.1
121.10096	22.4
123.11710	4.2
127.03908	9.6
130.07739	2.8
131.08545	26.8
133.10115	14.0
135.11658	38.2
143.08554	2.9
145.04959	5.3
145.10104	65.6
147.11668	5.5
149.13278	3.1
157.10080	3.1
159.11650	45.9
161.13271	4.4
163.07610	3.0
167.06970	11.5
173.13211	12.8
181.04903	9.1
191.17903	16.5
201.16365	100.0
219.13792	9.3
219.17384	33.8
237.18053	2.8
244.46194	3.0
248.33710	2.7
286.14328	2.9
427.26962	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	416.2639
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12767	0.6
53.00314	0.6
53.03910	0.7
53.58222	0.5
54.01086	0.6
54.31821	0.5
55.05508	6.4
56.79588	0.6
57.07048	4.4
61.02905	1.6
67.05489	25.1
69.03411	1.3
69.07050	26.1
71.08607	1.3
72.42787	0.7
79.05472	30.7
81.07036	32.3
83.04941	1.1
83.08597	4.3
85.02886	8.5
91.05456	49.2
92.09388	1.4
93.07019	45.9
95.04948	4.6
95.08580	38.3
97.02896	1.3
97.06493	1.2
97.10136	2.9
105.07007	79.6
107.04964	0.8
107.08574	46.0
109.06524	1.1
109.10133	38.8
111.08022	1.2
111.11745	0.8
117.06993	26.6
119.08556	26.3
121.06462	7.1
121.10116	25.7
121.16611	0.7
123.11707	7.1
123.12491	1.1
125.13378	0.7
127.03939	0.9
129.06966	1.0
130.07770	2.9
131.08540	36.1
133.10094	17.2
135.08040	21.5
135.11662	100.0
140.60033	0.7
142.07735	0.7
143.08543	1.8
144.09358	1.2
145.04883	0.9
145.10100	54.1
147.11630	4.2
149.09605	3.1
149.13217	8.4
157.10143	1.6
159.11668	30.4
161.13174	3.0
163.11140	12.3
173.13214	8.1
175.14809	4.1
177.12630	0.8
189.16324	6.3
191.17897	35.2
198.45189	0.9
201.16347	42.7
219.17398	58.7
227.31090	0.8
306.97693	0.9
381.23029	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.2307
Annotation	Tentoxin
Peak:m/z	Relative Intensity
53.03939	0.6
55.01849	0.7
55.05491	1.2
57.03416	1.2
58.78688	0.5
61.02907	1.1
64.32904	0.7
67.05467	2.9
67.12485	0.6
68.99792	0.8
69.03415	4.7
69.07052	1.4
71.04994	2.5
76.48254	0.6
79.05481	2.7
81.03405	1.6
81.07037	3.5
83.04964	1.4
85.02902	8.3
85.03331	1.1
85.06527	2.7
86.09676	1.0
87.66652	0.6
87.71749	0.7
91.05453	3.9
93.07007	5.2
95.04942	1.6
95.08571	3.5
97.02872	2.8
97.06502	8.4
98.97538	1.2
99.04436	0.8
101.06021	0.7
102.14730	0.6
105.07021	4.7
107.04906	2.5
107.08566	4.2
109.10133	1.1
111.08074	4.2
117.07015	1.6
119.08578	5.5
121.06467	0.9
121.10133	3.0
123.04395	0.6
125.09663	1.5
127.03886	0.9
131.08534	1.5
133.06445	0.9
133.10104	4.3
135.08057	1.3
135.11681	2.7
137.09593	0.7
139.03860	1.1
143.08540	1.0
145.10101	2.4
147.08008	1.1
147.11696	2.8
151.11208	2.8
153.01810	7.6
157.10121	1.4
159.11623	2.6
162.10422	0.7
162.38300	0.7
163.11104	0.8
173.13304	1.3
175.11156	1.2
177.12697	12.7
179.03336	1.0
189.12729	1.1
199.14760	1.0
217.04878	1.2
217.15828	5.6
235.16861	14.8
253.14484	1.0
253.17924	4.6
297.04224	1.0
325.07083	0.8
371.07739	4.6
397.21915	1.2
415.10614	4.1
415.22925	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	415.1748
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.9
55.01858	3.4
55.05508	9.2
57.03421	1.7
67.01837	1.0
67.05486	1.6
69.03416	0.9
71.04951	0.9
77.26192	0.7
77.26766	0.6
77.39505	0.7
79.05466	4.5
80.56209	0.8
81.03382	1.0
81.07030	4.5
83.01311	3.1
83.04964	17.9
85.02879	1.4
88.62317	0.8
91.05463	6.6
93.03393	1.1
93.07018	4.4
94.04153	3.4
95.04926	5.3
95.08561	1.7
97.06505	5.0
99.04426	1.1
103.05447	16.6
105.07005	5.8
107.04927	1.7
107.08540	2.9
109.06482	1.5
109.10109	1.2
111.04415	1.5
115.05444	1.6
117.06973	1.6
119.04880	1.3
119.08548	3.5
121.06489	1.8
121.10112	1.3
122.03631	15.1
123.04421	7.5
125.02354	0.8
125.05978	1.5
127.03896	0.8
128.06166	0.9
129.07031	1.3
131.04903	36.0
131.08536	8.0
133.06471	4.6
133.10086	1.5
134.40501	0.8
135.04398	6.0
135.11688	1.0
137.05957	29.6
139.03880	9.2
141.06964	1.8
143.08549	1.1
143.17714	0.8
145.06433	1.1
145.10130	1.7
149.05931	1.0
149.09502	1.1
150.03084	1.3
150.06741	13.5
151.03824	5.4
153.01820	0.9
153.05429	4.9
155.03308	0.8
157.10147	1.6
158.07272	1.0
159.08029	5.8
161.05943	1.1
161.09608	3.2
163.03825	1.7
163.07518	6.8
165.05428	1.1
166.02568	7.3
167.03319	1.7
168.04131	16.0
169.04964	19.4
169.06378	2.5
171.11598	1.0
173.13200	1.1
175.07518	1.0
176.04662	0.9
177.05487	1.2
180.00491	1.7
181.04919	100.0
182.05675	2.9
183.06522	5.5
187.07541	6.0
189.05441	4.8
189.16267	0.9
191.03316	1.2
193.05011	5.3
195.02856	53.3
195.06636	1.2
195.32448	0.7
198.01547	11.1
201.09103	3.2
204.07788	10.6
205.04950	5.0
205.08568	1.5
207.06494	1.1
209.04420	3.2
211.06065	2.7
215.06976	4.2
217.04953	1.1
219.10121	3.0
232.07242	4.5
233.08186	1.4
247.09587	33.1
262.13617	0.9
265.10645	93.4
317.10181	3.8
318.10803	4.6
327.22107	0.8
397.16257	0.9
415.10098	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	414.9538
Annotation	Unknow
Peak:m/z	Relative Intensity
56.94166	0.9
56.96558	16.0
61.02887	1.1
66.69339	0.9
71.95255	1.5
85.02898	1.8
92.09397	1.8
97.02873	8.5
98.97563	100.0
102.96863	1.1
116.98596	80.9
134.99635	53.9
140.01503	1.1
152.57390	1.0
153.00719	7.9
154.94125	2.0
172.95325	2.1
190.95407	6.4
208.96513	1.6
214.95352	1.9
219.02028	2.3
232.96436	8.5
235.93481	1.1
241.96614	1.1
250.97466	5.5
256.96201	9.7
258.99744	1.9
261.02975	5.5
263.02884	1.5
274.97458	77.4
277.00806	6.5
292.98508	67.8
301.00922	1.2
315.92957	1.2
316.99155	2.3
335.00351	1.9
363.48874	1.3
391.02975	1.2
400.94870	1.4
414.95422	1.6
432.96277	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	415.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.2
54.81626	0.7
55.01863	3.0
55.05497	1.0
56.51520	0.7
57.03425	12.5
59.04999	0.8
61.02911	4.1
63.23474	0.7
65.03880	0.7
69.03410	7.9
69.07020	1.0
70.06572	0.8
71.04974	60.9
72.05303	8.2
73.02894	4.2
75.04475	6.4
79.05428	0.8
81.03384	3.4
81.07059	0.8
83.04958	6.9
84.99722	0.8
85.02888	82.5
85.39175	0.7
86.03213	9.4
86.09685	11.5
87.04450	3.1
91.05456	3.7
93.07015	1.8
95.04926	1.4
95.08537	0.7
97.02845	5.7
97.06498	1.5
99.04439	1.3
99.28723	0.7
103.05422	1.8
105.07011	1.8
107.04932	25.6
109.02822	1.3
109.06487	1.0
111.04413	5.9
115.03968	0.8
115.05431	4.2
117.06927	0.8
119.04922	3.3
119.08592	1.1
121.02843	20.5
123.04428	1.7
127.03866	4.0
127.07438	0.9
129.05447	18.0
130.05788	1.6
131.04898	58.8
131.08566	1.0
133.10136	1.4
135.04431	1.4
141.06989	0.9
142.07762	0.8
143.04900	1.1
144.05687	12.2
145.04927	4.2
145.10139	1.1
147.04340	1.3
147.06514	5.3
157.10120	1.8
159.04405	4.4
159.11674	1.0
160.05157	3.6
163.03844	1.0
163.06029	1.1
164.09128	1.5
165.06953	1.2
167.08536	1.9
171.53412	0.7
172.77722	0.9
173.13263	1.4
175.11151	1.1
178.07773	3.3
179.08485	11.6
181.06468	1.5
182.07233	6.2
183.08031	4.8
189.07057	1.8
197.05934	1.3
197.09592	7.4
199.18164	0.8
207.08003	11.2
210.06758	9.5
217.06496	1.1
217.12407	0.8
217.15833	1.0
218.07246	1.6
225.09053	40.2
234.06717	1.2
235.07457	10.6
253.08527	100.0
254.08746	1.4
267.46887	0.8
309.11755	1.0
328.93875	0.8
415.19641	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	414.3572
Annotation	Unknow
Peak:m/z	Relative Intensity
51.22961	2.3
55.05501	47.6
55.14766	2.6
56.92308	2.7
57.07071	26.2
58.06590	4.5
67.05482	11.8
69.07051	65.5
71.08611	14.0
75.15298	3.0
79.05496	3.2
81.07034	20.9
83.08591	43.2
83.55930	2.9
85.10169	5.4
89.05969	3.1
92.09413	6.9
93.07039	6.8
95.08591	21.4
97.10146	36.2
102.05524	16.9
104.07076	100.0
107.08556	4.2
109.10189	2.9
111.11697	15.4
121.10138	6.7
123.11670	3.3
164.57767	3.0
181.46077	3.2
208.24619	3.4
275.27466	5.4
293.28265	12.1
299.84363	3.1
370.88187	3.5
396.34634	27.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	414.2332
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
55.01864	7.6
57.03426	17.0
59.05004	1.8
61.02919	18.1
65.76667	1.2
67.05511	2.0
67.50989	1.1
69.03415	42.5
69.07040	1.9
71.01324	5.2
71.04979	2.5
73.02902	84.4
81.03400	7.8
85.02893	100.0
85.10207	1.3
87.04446	5.3
89.25764	1.5
91.03951	2.2
93.06994	1.5
97.02873	54.5
99.04446	6.6
103.03952	2.2
109.02872	7.4
115.03907	18.7
120.08076	2.6
123.04404	63.4
125.02346	10.0
127.03896	24.3
128.95627	1.2
133.04951	20.7
139.03885	10.0
145.04950	32.4
150.07675	1.7
151.03812	2.0
160.05473	1.4
163.06026	13.5
193.04895	1.7
215.27541	1.2
223.06033	2.1
241.07077	1.7
259.08102	5.6
260.48987	1.3
265.16415	1.6
281.28772	1.4
382.72681	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	413.2658
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75889	2.4
55.05513	4.0
58.99372	2.8
63.83830	2.8
65.71233	3.2
67.05487	5.5
69.65488	2.5
70.86796	2.5
71.83685	2.6
79.05485	4.7
81.07044	12.8
83.04987	3.7
85.06534	4.2
91.05460	7.3
93.07019	13.8
95.08566	5.3
105.07005	15.8
107.08575	6.2
110.38660	2.8
115.54926	3.0
119.08582	6.9
123.08070	4.4
125.05787	11.3
133.10115	4.4
135.11644	3.1
136.30273	3.6
157.10068	3.2
159.11674	5.0
160.56305	3.7
168.49893	3.2
217.12013	15.0
241.70235	3.2
245.15076	100.0
381.23779	13.2
395.25562	27.2
410.01901	3.6
413.26447	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	413.2659
Annotation	Epopromycin A
Peak:m/z	Relative Intensity
55.05486	7.5
57.20194	5.2
67.05504	15.1
79.05472	11.2
80.31454	6.8
81.07030	24.6
91.05451	9.7
92.95596	6.0
93.07033	35.8
95.05003	7.7
95.08587	23.9
96.16560	5.7
100.57065	6.2
105.07014	15.1
107.08553	9.4
109.10149	13.8
119.08559	15.0
121.10110	7.5
131.08521	11.2
141.23120	6.3
145.10034	7.1
147.11673	7.3
177.08850	100.0
238.55508	6.1
259.16605	11.5
312.48959	7.7
395.25397	33.3
413.26346	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	413.2657
Annotation	Unknow
Peak:m/z	Relative Intensity
50.76233	1.8
55.05500	2.6
63.49684	2.3
67.05492	5.3
69.07057	4.0
71.05028	2.8
72.04505	2.4
77.68196	2.1
79.05466	4.7
79.43010	2.4
81.07027	17.4
89.96671	2.0
91.05450	9.8
92.63594	2.5
93.07034	20.1
95.08592	11.7
105.07003	17.2
105.86234	2.4
107.04934	2.6
107.08559	14.2
109.02623	15.6
109.10152	3.7
118.67014	2.3
119.08538	14.5
121.06486	4.6
121.10104	4.9
123.04174	9.5
124.32269	2.4
125.09546	3.4
131.08517	3.3
133.10143	7.6
145.10052	3.8
177.12717	9.7
180.10110	21.6
181.10515	5.4
192.10159	4.4
236.16490	3.8
237.16666	4.5
248.16451	5.1
302.21704	2.9
313.17938	5.0
313.21338	100.0
327.22894	30.1
413.26096	21.4
438.70923	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	413.1778
Annotation	Fluocinolone
Peak:m/z	Relative Intensity
57.03410	0.8
69.03410	1.0
70.06577	1.1
73.02899	1.1
85.02877	3.6
93.06998	1.0
94.02904	3.0
95.08546	0.7
97.02863	0.8
97.06528	0.8
101.20017	0.6
112.03963	0.6
145.05003	0.7
251.12457	2.9
413.17661	100.0
414.17712	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.3054
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13089	3.3
52.33428	3.0
53.00297	3.3
54.21314	3.1
55.01891	3.7
55.05491	22.7
59.94016	3.6
62.56370	3.7
67.05498	37.8
67.62462	3.3
69.07044	23.7
71.04958	6.5
79.05466	25.5
81.07036	67.3
83.04977	8.5
83.08587	5.4
85.06517	6.9
90.95734	3.5
91.05473	39.8
92.08674	16.2
92.09292	18.7
93.07029	100.0
95.04950	19.9
95.08579	44.7
95.26947	3.9
97.06515	19.9
103.64806	3.8
105.07018	64.4
107.08571	60.2
109.06503	15.9
109.10145	47.2
112.15644	3.8
116.10732	6.6
117.06995	7.2
119.08566	52.6
120.08839	4.3
121.10123	22.4
123.08002	4.7
123.11692	5.5
129.06955	9.4
131.08524	25.5
133.10094	46.9
135.11716	30.9
142.07724	4.2
143.08531	7.6
145.10101	24.0
147.11650	21.5
149.09618	5.0
149.13254	5.3
156.09413	4.1
157.10092	27.6
158.10899	4.2
159.11618	34.1
161.13205	6.6
163.11098	4.2
171.11676	16.2
173.13277	8.6
175.14767	6.2
183.11533	5.0
185.13246	9.4
187.14809	9.6
211.14922	5.1
214.18082	4.4
216.81412	3.8
227.17952	4.7
233.11639	6.9
267.69852	5.0
327.26801	6.8
412.33856	7.1
413.26529	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	412.2539
Annotation	Unknow
Peak:m/z	Relative Intensity
52.42591	1.5
55.05505	16.0
55.11849	1.5
57.03432	2.7
57.07083	21.8
58.35023	1.5
59.04990	100.0
61.02882	2.9
67.05479	3.6
67.32174	1.6
69.03407	11.3
69.07056	75.4
71.08609	13.2
73.06540	22.4
77.05997	3.0
77.40110	1.7
80.35614	1.7
81.07008	2.6
83.08610	3.3
85.02893	24.5
85.10175	4.2
87.04448	22.4
92.08650	3.3
95.08595	3.8
97.02866	9.1
97.10147	2.3
105.05483	26.9
109.10144	14.8
111.11705	65.6
111.12999	1.6
119.08568	2.4
127.11160	3.5
129.12729	85.6
143.08464	2.3
155.08551	2.5
167.08508	2.6
169.10170	3.4
197.13252	12.5
197.15161	1.6
215.16385	3.9
224.85921	1.9
233.17493	7.2
249.14754	2.5
250.15201	2.6
314.67065	1.8
327.94467	2.1
362.32254	1.8
367.08313	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	412.223
Annotation	Phe Val Phe
Peak:m/z	Relative Intensity
54.81319	0.3
55.05501	2.7
56.96552	0.3
58.42381	0.3
70.06565	0.9
72.08138	37.5
77.01420	0.4
81.07032	0.5
85.02886	0.7
88.42162	0.3
91.05495	0.4
93.07017	1.8
95.08572	0.5
97.06487	0.4
103.05439	2.4
105.07059	0.3
110.07118	0.4
120.08085	100.0
123.11704	0.6
133.10052	0.4
155.19643	0.4
166.08607	2.4
219.14893	17.2
247.14362	8.8
265.15402	0.9
412.20358	0.6
413.21323	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19068	0.6
52.77064	0.6
53.00301	1.0
53.03941	0.9
55.01858	1.4
55.05499	4.5
55.21453	0.7
57.03427	32.5
59.04984	6.9
59.27232	0.6
60.04503	1.4
61.02913	6.1
67.05478	0.8
69.03414	92.6
69.07058	1.3
69.62264	0.6
71.01345	0.8
71.04977	3.4
73.02884	5.2
75.04451	4.4
79.05453	0.7
81.03401	4.2
81.07029	1.6
83.08615	4.0
85.02886	100.0
87.04446	55.9
91.03924	1.5
91.05470	0.9
93.07038	1.1
95.08593	1.3
96.94638	0.7
97.02866	59.5
99.04439	3.9
103.03915	1.4
105.06995	1.4
107.08583	1.5
109.02867	4.3
111.04503	0.9
111.08047	1.6
113.09610	0.8
115.03903	61.1
123.04395	0.9
127.03880	11.0
133.04929	55.0
143.07024	0.8
145.04929	16.2
150.07550	6.2
163.05994	5.3
167.10669	4.3
169.05031	0.8
187.06038	0.8
190.11403	0.8
197.11761	0.8
208.55286	0.8
223.06172	0.7
241.06917	0.9
259.08093	1.7
263.14835	1.5
277.09207	1.2
285.67334	0.8
295.10245	3.3
412.19818	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72338	0.5
51.72595	0.4
53.00307	1.2
53.03939	0.9
55.01862	1.3
55.05272	0.5
55.05497	4.8
55.54576	0.5
57.03428	34.7
59.04988	6.8
60.04509	1.3
61.02917	5.5
61.11810	0.4
63.35220	0.4
67.05490	0.9
69.03416	93.7
69.07056	1.3
71.01342	0.8
71.04971	3.2
72.20733	0.5
73.02903	5.9
75.04448	4.6
77.93478	0.6
79.05472	0.6
81.03395	6.4
81.07034	1.3
81.65333	0.5
83.04971	1.0
83.08601	4.9
85.02888	100.0
87.04449	58.8
91.03943	2.7
91.05444	0.7
93.07024	1.2
95.04903	0.7
95.08562	2.2
97.02870	71.5
97.06495	0.8
99.04442	3.6
101.02357	1.0
103.03905	1.2
105.07014	1.2
107.04922	0.7
107.08587	0.5
109.02227	0.5
109.02853	4.2
109.06446	0.6
111.08062	1.9
115.03910	62.2
119.08568	0.6
121.06480	0.7
123.04382	0.6
125.09604	0.7
127.03894	13.5
133.04944	56.8
135.08075	0.5
137.09618	0.7
139.07504	0.8
141.09108	0.9
145.04935	16.8
150.07611	7.1
163.05956	3.8
166.97775	0.5
167.10669	2.8
169.04913	0.7
179.10593	0.7
180.13986	0.5
183.18430	0.5
197.11763	1.9
215.12894	0.9
223.06079	0.7
227.12787	0.6
233.13814	0.7
241.07016	1.0
243.40160	0.6
245.13774	1.0
256.29810	0.6
257.16663	0.6
259.08093	4.0
263.14810	2.8
277.09109	2.2
295.10135	3.3
343.01706	0.5
412.20187	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	2.6
57.03430	23.2
59.05001	4.2
61.02901	6.6
67.05494	1.5
69.03413	74.2
70.06586	1.3
71.04970	7.2
73.02908	5.6
75.04470	2.5
81.03390	7.7
81.07047	6.1
83.04992	1.1
83.08620	2.5
85.02890	100.0
85.06545	1.2
85.46964	1.2
87.04449	41.3
90.05673	1.1
91.03931	2.7
91.05458	2.0
92.08703	2.7
93.07025	2.2
95.08583	5.5
97.02873	49.7
99.04440	4.6
99.08080	1.6
101.02354	5.2
103.03927	1.7
107.08556	1.8
109.02864	6.4
109.06520	1.9
109.10148	2.0
115.03910	45.8
124.07594	2.1
127.03922	16.3
129.01834	7.9
133.04938	42.6
137.05966	1.5
139.11018	1.2
145.04945	23.8
150.07623	2.6
158.00491	1.2
163.06001	11.9
197.15182	1.2
213.07500	1.4
231.02644	1.1
250.10767	4.4
258.93292	1.3
259.08090	2.1
263.15018	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	412.2173
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.7
55.01856	0.5
55.05509	1.2
55.67263	0.4
57.03428	12.7
59.04969	0.4
61.02896	1.9
67.05503	0.9
69.03408	3.3
69.07051	5.9
71.01342	0.6
71.04975	79.4
73.02894	2.7
75.04466	5.1
81.03413	0.6
81.07049	1.1
83.04967	9.1
84.79308	0.5
85.02888	100.0
85.06540	1.0
87.04457	2.3
93.07014	1.8
94.70226	0.5
95.08607	0.9
97.02880	4.6
99.04426	2.0
109.02918	0.7
109.10091	0.5
111.04445	5.1
111.08083	0.9
123.08078	0.6
127.03890	3.1
129.05453	27.6
139.11055	0.5
145.04919	2.7
146.08154	0.5
147.06511	13.1
152.53386	0.5
153.09096	0.6
163.06000	2.0
164.09198	3.6
179.10507	0.7
197.11569	0.5
208.67003	0.5
215.12772	0.9
245.36433	0.5
250.11156	0.6
255.08446	0.7
277.36597	0.5
289.21301	0.5
309.11615	2.1
411.16220	3.0
412.16449	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	412.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.78403	0.6
53.03923	0.6
55.01849	3.0
55.05490	3.1
55.55885	0.6
57.03425	16.2
59.04984	0.8
61.02914	6.3
67.05478	0.8
69.03415	12.9
69.07052	6.1
70.06580	0.7
71.01315	1.4
71.04977	57.0
72.44350	0.6
73.02894	20.6
75.04440	3.1
79.05469	1.7
81.03391	4.2
81.07017	4.1
82.07376	0.7
83.04974	6.0
83.08615	0.9
85.02888	100.0
85.06529	1.7
87.04456	2.6
92.09351	0.9
93.06995	1.2
95.04935	0.9
95.08557	3.7
97.02870	15.8
98.58921	0.8
99.04437	3.2
99.08044	1.5
100.27131	0.6
107.08592	1.0
108.81257	0.6
109.02882	2.8
109.06454	0.9
109.10151	1.6
111.04417	4.1
111.08031	1.1
115.03897	4.1
121.10071	0.8
127.03892	8.5
127.07533	0.7
129.01791	0.9
129.05452	19.1
130.95277	0.7
133.04927	4.7
137.05910	1.2
145.04950	12.0
147.06500	9.7
147.09122	1.5
148.09509	1.1
153.58484	0.7
163.05977	4.4
163.07417	0.9
164.09097	2.7
164.10390	0.7
165.08997	0.8
179.10683	1.0
213.18417	0.9
215.12822	0.9
250.10921	0.8
259.07877	1.3
273.09442	0.7
282.15228	0.8
295.10107	1.2
309.11664	1.0
411.19635	4.5
412.20367	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	411.2584
Annotation	Unknow
Peak:m/z	Relative Intensity
52.18412	1.1
53.00312	1.5
53.03934	1.6
55.01860	2.8
55.05505	32.4
57.03419	3.2
57.07069	7.3
59.04989	3.6
60.53872	1.1
64.32999	1.7
67.05499	21.5
69.03411	16.8
69.07053	68.8
70.06590	13.2
70.06890	1.5
71.04970	27.2
72.08131	7.7
72.86863	1.2
73.06538	1.8
74.07839	1.3
74.89032	1.2
79.05473	14.9
81.03404	1.9
81.07037	69.0
83.04970	6.5
83.08606	15.6
85.02891	21.3
85.06528	36.2
91.05486	2.3
92.63944	1.5
93.07018	38.7
95.04939	2.9
95.08582	69.5
97.02863	7.7
97.06508	3.3
97.10154	9.3
98.97516	1.7
99.04431	16.6
99.08059	34.1
100.04768	1.8
105.07001	3.1
107.04925	2.3
107.08576	46.2
109.06505	2.1
109.10135	56.3
111.07426	1.7
111.08043	13.2
111.11719	9.6
113.09629	2.6
114.36509	1.5
116.98586	2.4
119.08565	3.2
120.08053	1.6
121.10110	71.4
123.07971	1.8
123.11705	6.8
125.09605	24.4
125.13198	1.7
131.08521	2.7
132.71272	1.4
135.07999	1.8
135.11659	25.6
137.09576	1.5
137.13220	28.0
139.11159	14.3
141.05447	2.1
145.10130	1.6
146.76611	1.4
149.13235	7.7
151.14790	1.7
153.09143	1.8
153.12746	6.1
155.10698	1.5
160.08038	1.4
167.10681	1.6
169.13379	3.2
177.12921	1.9
177.16348	100.0
195.13701	6.6
195.17403	66.6
195.19189	2.5
197.12840	2.0
203.05225	10.7
213.14908	6.4
213.18457	78.2
214.11609	2.0
214.15045	1.6
231.15886	2.7
231.19479	11.6
233.11053	1.4
234.53770	1.6
249.15941	2.1
249.20593	6.6
267.10684	2.4
410.18494	1.7
411.10794	3.4
411.15378	37.3
411.20264	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	411.1986
Annotation	diflorasone
Peak:m/z	Relative Intensity
55.05499	3.6
57.07047	1.0
59.02811	0.2
66.66627	0.2
67.05478	0.4
69.03400	1.1
69.07041	1.3
71.04945	0.3
71.08575	0.3
79.05467	0.3
81.03379	0.3
81.07019	1.5
83.04957	2.1
83.08598	3.6
85.02888	0.6
85.06519	1.3
91.05453	3.4
93.07002	1.4
95.04930	0.3
95.08571	1.6
97.02886	0.3
97.10139	0.5
98.97548	0.5
99.08092	0.5
105.07039	0.4
107.08563	1.5
109.10140	1.9
111.08061	0.7
116.98560	0.3
119.08566	0.4
121.02868	0.4
121.06439	0.3
121.10094	1.1
123.04404	3.6
123.11658	0.6
125.09563	0.4
133.10085	0.4
134.99664	0.4
139.03909	0.5
145.10101	0.3
147.04367	0.4
149.13243	0.4
151.11121	2.5
165.05440	1.1
167.14276	3.7
168.14568	0.4
177.16357	0.6
191.10411	0.4
195.11737	0.3
195.13774	0.6
196.14026	0.3
203.05235	2.8
209.15343	1.4
213.14783	0.5
231.13521	7.0
249.14667	0.6
269.10303	0.3
317.10385	0.3
359.18402	0.3
411.19778	100.0
412.19974	0.4
416.88184	0.3
421.30045	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1984
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	3.7
57.03419	1.4
57.07052	0.7
59.26804	0.6
59.59858	0.7
61.02909	0.6
64.33085	0.6
67.05484	5.0
69.03415	2.8
69.07050	4.2
71.04968	5.5
79.05484	3.0
81.03422	1.0
81.07033	10.1
83.04939	0.7
83.08608	1.7
85.02883	5.9
85.06534	10.5
87.00784	0.7
92.08724	0.8
93.07026	4.4
95.04960	0.9
95.08579	7.2
97.02905	1.2
97.06518	2.8
98.97536	0.8
99.04446	1.6
99.08067	5.2
105.07011	0.9
107.08596	5.2
109.10119	5.0
111.08074	0.9
111.11728	0.7
121.10131	6.4
123.11698	1.1
125.09603	0.9
127.03898	0.9
133.10138	0.7
135.11711	3.1
137.05952	1.4
138.05499	3.9
139.11018	0.7
147.09189	4.2
149.09569	0.7
177.16391	2.9
191.08145	2.8
195.13719	1.1
195.17473	1.6
196.14188	0.8
203.05234	1.5
213.14708	2.3
213.18468	6.5
231.19548	1.3
249.20590	3.0
268.87213	0.7
281.15005	1.0
301.31036	0.9
325.13928	1.6
410.18781	1.5
411.19821	100.0
412.20236	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1986
Annotation	diflorasone
Peak:m/z	Relative Intensity
53.03938	0.4
55.01858	0.5
55.05495	0.7
57.03410	0.5
59.11856	0.4
61.02895	0.4
61.53091	0.4
67.05480	2.4
69.03408	1.9
69.07053	4.1
71.04969	2.1
79.05472	2.1
81.03398	0.6
81.07044	4.6
83.04988	0.8
83.08630	0.6
85.02898	3.9
85.06538	3.3
86.51107	0.4
91.05454	1.1
93.07022	3.7
95.08585	2.9
97.02844	0.7
97.06497	0.8
99.08103	2.3
107.08569	2.6
109.06568	0.6
109.10139	3.9
111.08044	0.5
114.36440	0.5
121.10112	2.1
127.03885	0.7
133.10110	3.9
134.10468	1.9
135.11653	6.3
136.11971	1.0
137.05937	0.7
147.11705	0.7
149.04846	0.5
149.13303	0.7
151.11131	1.0
152.11449	0.7
177.16351	0.8
193.12158	0.7
195.13800	0.8
195.17532	0.6
196.14072	0.5
203.05275	0.6
211.13312	0.5
212.13614	1.1
213.14882	0.8
213.18605	1.9
214.15089	0.6
214.27803	0.5
230.14685	0.5
231.19533	1.0
232.15984	0.5
249.20802	0.5
250.65417	0.5
259.10364	0.5
294.32101	0.6
411.19843	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.1619
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06090	0.4
54.75672	0.4
55.01870	0.4
55.05499	2.1
57.03416	0.5
60.03519	0.4
67.05490	1.1
69.03399	0.8
69.07050	3.4
70.06583	0.5
71.04971	1.1
72.24048	0.4
79.05465	0.4
81.07028	3.0
83.08639	0.5
85.02893	2.7
85.16134	0.4
87.00800	0.8
87.51633	0.4
89.23087	0.4
92.63957	0.4
93.07034	2.6
95.08582	3.0
97.02905	0.5
99.08051	1.0
105.07014	0.5
107.08585	3.5
109.06449	0.5
109.10156	4.2
111.08080	0.6
121.10130	2.6
125.09597	1.0
127.03882	0.8
135.11684	1.8
135.49434	0.4
137.13232	0.7
138.39519	0.4
147.04303	0.5
149.13342	0.5
152.11522	0.4
153.12820	0.6
177.16362	2.0
195.13774	0.5
195.17415	2.5
203.05241	30.6
213.18486	2.0
231.09883	4.5
249.11005	1.0
249.15784	0.5
267.10675	1.9
291.10754	0.6
294.98129	0.5
309.11804	0.7
364.59210	0.5
411.16159	100.0
412.16937	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	411.107
Annotation	Epicatechin 3-O-p-hydroxybenzoate
Peak:m/z	Relative Intensity
51.02367	0.3
53.03933	0.4
55.01856	0.4
55.05498	1.8
59.04970	0.3
62.91315	0.3
64.54720	0.3
65.03912	2.1
67.05490	2.4
68.99782	0.4
69.03417	1.7
69.07037	2.1
70.13145	0.3
71.04977	0.6
73.02946	0.4
77.03896	0.5
79.05471	0.5
81.07040	2.9
83.04947	0.3
83.08598	0.8
85.02878	2.0
85.06512	0.5
91.05467	1.5
91.50912	0.4
93.07018	2.1
95.04937	1.6
95.08572	4.0
96.08100	0.6
96.08887	0.5
97.06544	0.5
99.08053	0.6
100.04045	0.3
105.03373	0.8
107.08573	2.0
109.10123	0.8
111.04423	3.5
111.08074	0.7
115.34480	0.4
119.04920	0.8
121.02840	36.4
121.03772	1.5
121.06490	0.7
121.10120	2.0
123.04398	100.0
124.04718	0.4
125.09602	0.5
137.13229	0.5
139.03876	36.0
142.08549	0.4
147.04356	2.9
151.03879	5.8
155.08540	1.5
161.05966	0.6
164.81583	0.3
165.05394	3.3
174.89386	0.4
177.16354	1.9
178.16652	0.6
195.17421	0.8
197.13234	0.4
213.12614	0.4
213.18538	0.5
218.71913	0.4
231.13666	0.4
273.07504	1.8
309.56982	0.4
317.10120	1.6
411.19803	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	410.3471
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38262	1.0
55.05495	4.1
57.07068	54.5
65.33766	1.0
67.05492	1.9
69.07055	5.3
71.08611	33.5
71.09011	1.1
73.06535	2.2
79.76190	1.0
81.07053	4.2
82.07366	1.2
83.08601	1.1
85.10166	19.6
89.06013	100.0
93.07037	5.4
93.71020	1.0
95.04945	1.2
95.08548	1.6
97.10149	2.2
98.98434	2.2
105.07030	5.3
105.13297	1.0
107.07066	2.2
107.08520	1.4
107.60477	1.0
109.10143	1.2
112.26018	1.0
114.37096	1.2
119.08591	2.3
130.07851	1.1
130.53836	1.3
133.08580	30.9
149.02330	6.6
177.11215	4.2
195.12283	1.2
196.76149	1.2
199.20483	1.3
229.94034	1.2
239.14888	17.3
243.23132	5.9
255.49094	1.1
287.25607	1.6
306.72382	1.2
347.08282	1.1
393.32022	43.2
410.27191	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	0.2
69.07046	1.0
69.19790	0.1
71.04971	0.7
71.37086	0.2
79.81783	0.1
85.02888	0.3
86.09686	100.0
87.10021	0.3
99.04422	0.7
117.05463	2.0
119.88025	0.2
131.11865	0.2
132.10173	42.1
190.62357	0.2
347.19510	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00306	0.5
53.03937	4.2
53.04137	0.4
53.25437	0.4
54.53520	0.4
55.01865	0.7
56.96552	0.6
57.03430	8.5
59.04992	2.2
60.04504	0.6
61.02895	0.7
63.19341	0.4
66.35281	0.4
67.05482	0.5
69.03410	22.9
69.35048	0.4
71.04970	0.5
73.02884	0.8
73.97749	0.4
75.04441	2.1
79.05468	0.8
81.03392	100.0
81.07040	0.7
83.04969	0.8
85.02879	15.4
85.06450	0.4
87.04437	13.9
87.63696	0.4
91.03943	0.6
91.05462	0.7
95.04939	6.4
97.02859	15.0
99.04415	0.5
107.04974	0.5
107.08563	0.5
109.06539	0.8
111.04380	1.8
115.03896	14.3
115.04727	0.6
119.04904	2.1
121.02845	0.9
121.06516	0.6
121.10107	1.0
123.04398	13.1
125.05914	0.5
127.03866	1.1
133.04932	12.8
133.06470	0.5
135.04401	0.7
135.08047	1.0
137.06039	0.7
145.04970	0.6
147.04398	5.7
149.09604	0.9
150.07629	3.3
153.05357	0.6
157.04877	0.4
159.08028	0.4
163.03998	0.6
167.10605	2.6
168.36974	0.4
169.04918	0.7
177.09044	0.8
195.06525	0.9
195.10153	2.2
206.04361	0.6
213.07559	3.5
213.11200	2.4
231.12157	1.0
237.00647	2.2
255.01599	1.1
259.08023	0.5
273.02789	0.8
277.09061	0.6
295.10501	0.5
336.06900	0.5
345.49442	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1653
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03746	0.3
53.03938	4.7
54.59338	0.3
55.01860	0.8
56.48336	0.3
57.03428	10.2
61.02914	3.2
67.05471	0.4
69.03413	6.8
71.01332	0.5
71.04952	0.5
73.02899	18.3
74.09702	0.3
74.23326	0.3
79.05452	0.5
81.03397	100.0
81.07043	1.5
83.04958	0.5
84.18410	0.3
85.02886	8.9
87.04444	0.5
91.05459	1.5
93.07027	0.5
95.04948	3.4
97.02863	8.4
97.06536	0.5
99.04439	1.7
105.07019	1.5
107.04985	0.4
107.08554	1.2
109.02870	0.7
109.06522	0.6
111.04460	0.7
113.02333	1.5
115.03902	5.9
119.04970	0.5
121.06540	0.4
121.10136	1.8
123.04404	1.3
127.03905	2.3
131.04898	2.1
131.08524	0.6
132.06528	0.4
133.04936	0.7
133.10141	0.4
135.04420	0.5
135.07999	0.6
137.05966	2.0
145.04897	1.4
147.04424	0.4
149.05923	0.6
149.09651	2.7
150.07628	0.8
153.05383	1.2
153.09055	0.5
163.06053	0.5
163.07497	0.5
165.09206	0.4
167.10670	2.2
177.09096	1.4
195.06549	0.5
195.10144	2.5
213.07573	3.5
213.11111	4.6
215.06943	0.3
218.56210	0.3
225.07465	0.5
231.12277	0.8
231.34615	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	410.1655
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	4.4
53.12363	0.5
55.01857	0.9
55.05503	0.8
56.96542	1.0
57.03431	8.5
60.04519	0.9
61.02910	1.8
69.03059	1.3
69.03413	19.8
73.02887	7.9
77.05730	0.7
78.27576	0.7
79.20205	0.8
80.17088	0.7
81.03398	100.0
81.07047	1.3
83.04945	1.5
85.02887	18.6
87.04445	13.7
91.05453	3.7
95.04918	7.9
95.08584	1.0
97.02872	15.0
99.04414	1.3
105.07027	1.2
107.08573	3.4
109.02851	0.9
109.06539	1.2
111.04433	1.1
115.03919	10.4
119.04913	4.9
121.02849	1.0
121.10122	3.3
123.04395	14.1
127.03886	1.2
133.04930	13.1
133.06477	3.2
135.04433	1.7
135.08018	1.3
137.05980	0.9
139.03891	1.1
139.11166	0.9
143.25485	0.9
145.04918	1.8
147.04362	9.8
149.09566	1.5
150.07571	3.1
153.09061	1.0
167.10617	1.9
177.09027	1.1
178.26884	0.9
195.10168	3.3
206.04460	3.2
213.07599	3.4
213.11200	3.1
237.00677	3.4
255.01765	1.4
293.87671	1.0
336.07004	3.3
373.82645	0.9
410.07480	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52915	7.3
55.05505	37.9
57.29804	8.2
60.39801	9.5
67.05482	20.6
68.69735	9.2
69.07051	23.0
69.28638	8.4
71.04980	14.3
76.80003	8.1
79.05474	16.4
81.07035	100.0
89.06001	49.0
91.05463	13.8
93.07037	78.2
95.08582	83.0
105.07029	53.1
107.08594	69.3
109.10132	59.9
119.08560	51.7
121.10133	63.7
123.11636	14.5
131.08543	14.3
133.08571	14.5
133.10121	24.9
135.11674	11.7
145.10153	41.4
149.13252	78.1
159.11674	25.0
161.13254	17.9
163.14938	10.9
173.13310	19.8
195.12273	48.2
203.17886	10.8
257.22720	11.7
340.36136	12.6
409.34570	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27179	0.9
50.50817	0.8
54.81736	1.0
55.05503	23.6
57.07062	2.9
64.33467	1.3
67.05495	33.8
69.07058	22.3
71.04977	25.2
71.08630	1.4
77.46423	1.0
79.05475	26.4
81.01889	1.2
81.07038	100.0
83.08601	10.0
85.06531	4.9
89.06005	5.2
91.05455	21.2
93.07027	95.2
95.04964	5.7
95.08587	96.9
97.10143	8.3
105.07021	58.9
105.07623	1.7
107.08579	74.8
107.09303	2.8
109.06490	5.9
109.10139	41.4
111.08083	13.4
113.09620	1.2
117.07012	7.2
119.08562	63.3
121.09258	2.2
121.10117	52.1
121.10985	2.3
123.11699	22.0
131.08530	16.4
133.10104	31.4
133.11028	1.9
135.11670	34.7
137.09590	5.1
137.13263	1.9
143.08545	6.1
144.09412	1.5
145.10106	28.9
147.11664	31.0
149.13242	74.4
151.11185	1.8
152.40941	1.2
155.08621	1.4
157.10146	8.4
159.11659	36.0
161.13220	28.9
163.14789	17.3
171.11664	7.3
173.13228	19.3
175.14832	14.7
175.16232	1.9
177.12711	2.0
177.16389	5.5
185.13275	6.1
187.14775	11.3
189.16344	11.4
191.17928	11.6
195.12213	2.2
196.12494	1.3
199.14845	2.8
201.16385	8.3
203.17986	10.3
205.15950	1.2
213.16367	7.8
215.17860	9.4
217.19482	20.3
227.17902	7.5
229.19502	7.4
231.21082	4.5
241.19427	7.0
243.20961	2.0
249.58563	1.3
255.21019	1.5
257.22647	2.0
259.24124	6.0
269.22623	2.4
281.22501	1.7
325.28928	2.1
351.30316	5.5
391.33502	8.7
409.29633	2.3
409.34625	42.3
424.61517	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.3463
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81737	2.1
55.05502	27.4
57.07057	12.4
60.13376	1.9
67.05489	32.0
68.40619	2.0
69.07053	23.4
71.04975	27.8
72.02709	2.0
79.05456	27.0
81.07038	100.0
83.08605	13.4
89.06039	18.7
91.05456	27.7
92.09414	5.6
93.07015	84.7
95.04944	5.6
95.08581	84.7
97.10141	8.8
105.07011	48.8
107.08569	57.8
109.06487	3.9
109.10136	44.5
111.08080	10.8
117.06947	3.5
119.08556	48.1
120.76070	2.5
121.10123	54.9
123.11691	21.5
131.08571	16.7
133.08551	4.0
133.10097	32.7
135.11685	30.5
137.09657	4.1
137.13191	3.7
141.51817	2.4
143.08521	9.2
144.09370	2.6
145.10130	20.8
147.11682	23.4
149.13243	52.1
157.10144	4.3
159.11639	34.2
161.13226	26.2
162.20808	2.5
163.14801	12.1
169.10168	2.8
171.11691	2.4
172.12367	2.6
173.13243	12.4
175.14783	13.4
177.16360	3.5
185.13232	9.4
187.14777	11.6
189.16344	9.1
191.17892	8.4
195.12231	12.6
199.14740	2.7
201.16353	9.5
203.17932	8.7
203.56288	2.3
213.16382	3.8
215.17805	9.3
217.19481	8.9
227.18044	3.1
231.21188	3.3
241.19490	3.0
255.21132	2.9
259.24149	4.5
315.29211	2.3
351.30347	4.2
391.33344	12.5
409.34650	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	409.3462
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.8
53.03926	2.0
55.05511	17.1
55.17598	0.8
57.07056	5.1
59.04984	2.2
63.55160	0.8
65.03951	1.1
65.61603	0.9
67.05499	28.0
69.07058	20.7
71.04977	13.4
79.05476	24.3
81.07041	93.8
83.08616	9.1
85.06511	3.3
85.87299	1.0
86.64829	1.0
89.06013	6.0
91.05460	23.8
92.24937	0.9
93.07030	100.0
95.04941	4.9
95.08589	88.5
97.06510	1.2
97.10165	8.0
105.07018	73.5
105.19807	1.0
107.08582	69.3
109.06503	4.3
109.10145	41.9
111.08067	10.5
111.11695	3.6
113.09650	1.0
117.07010	6.7
118.98721	1.1
119.08567	83.8
121.10123	56.3
123.08049	1.5
123.11693	24.1
129.06956	1.5
129.51616	0.9
131.08542	17.8
133.08601	1.1
133.10100	35.0
135.11685	30.2
137.09589	5.1
137.13237	5.6
142.07726	1.2
143.08554	6.2
144.09314	1.6
145.10101	24.3
147.11670	30.5
149.09608	1.3
149.13239	61.9
151.11150	3.6
157.10143	9.6
158.10933	1.3
159.11670	28.6
160.12418	1.2
161.13217	29.4
163.14790	17.3
169.10144	1.4
171.11667	8.4
173.13237	18.7
175.14810	16.0
177.16339	7.0
179.14185	1.1
185.13252	5.2
187.14775	12.7
189.16371	15.5
191.17926	5.9
199.14729	5.4
201.16333	8.5
203.17949	8.7
205.15834	1.4
213.16367	4.1
215.17935	6.7
217.19508	16.4
227.17897	5.1
229.19469	4.5
231.21054	6.2
232.40724	1.1
241.19359	3.7
243.20969	1.7
255.20918	1.8
257.22580	7.4
259.24203	9.3
281.22632	1.9
283.24258	1.7
303.81296	1.3
313.25342	1.2
323.92761	1.0
327.26450	1.0
351.30316	9.2
363.64124	1.0
391.33563	9.0
409.29630	1.7
409.34628	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	409.3307
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20770	1.0
53.03941	3.0
54.81508	1.1
55.01863	8.4
55.05512	14.4
57.03428	7.3
57.03699	1.1
57.07065	11.4
61.55062	1.1
67.05494	2.5
69.07058	28.1
71.08623	9.6
79.05485	1.7
81.03406	12.3
81.07054	6.2
83.08611	13.2
83.76575	1.5
85.10165	4.9
89.06010	1.5
91.05502	1.4
93.07024	2.0
95.08604	8.9
97.10146	10.7
105.07034	2.8
106.98386	1.2
107.08595	1.7
109.02862	23.0
109.10176	6.7
111.11681	2.0
111.61685	1.3
115.03924	8.0
119.08539	3.0
121.00011	1.1
123.04428	1.7
123.11749	1.8
127.03896	100.0
132.63849	1.1
141.05437	2.2
145.10052	1.5
169.08659	2.6
183.10152	7.7
195.10143	1.6
197.11740	2.5
209.11647	1.4
211.13261	2.0
215.01564	1.3
223.13152	1.4
237.14821	1.7
253.17844	1.9
281.21005	2.4
282.44031	1.3
292.22644	1.3
309.24103	2.4
391.32010	24.1
398.56815	1.6
409.33273	9.5
417.04639	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.8
55.01865	3.2
55.05508	21.9
57.07060	8.1
59.04981	2.8
65.03923	1.9
67.05498	28.9
69.03410	9.6
69.07053	10.6
73.75758	1.6
77.58598	1.4
79.05481	35.2
81.03383	2.1
81.07041	37.3
83.04934	2.8
85.06531	2.6
86.09707	2.1
88.77158	1.6
91.05463	46.8
93.07024	60.5
95.04952	45.2
95.08575	39.3
97.06522	8.2
103.05471	2.3
105.07016	100.0
107.04935	2.2
107.08581	27.5
109.06495	15.6
109.10140	11.3
111.08069	2.1
115.05450	2.3
117.06997	15.5
118.07782	1.7
119.08560	60.8
121.06498	17.5
121.10135	15.6
123.08051	15.3
125.09624	2.2
128.06204	10.0
129.06999	12.7
130.07776	7.0
131.08560	30.4
133.06511	2.9
133.10120	24.5
135.08008	12.6
135.11681	2.8
137.09599	10.4
137.13274	1.8
141.06985	6.3
142.07790	14.8
143.08534	19.3
144.09364	5.9
145.06458	2.6
145.10118	35.2
147.08063	16.2
147.11661	15.1
149.09607	11.2
151.07535	12.6
153.06967	2.7
154.07771	2.2
155.08562	13.2
156.09325	9.9
157.10110	23.3
158.10809	2.7
159.08058	6.8
159.11661	14.0
159.34698	1.7
160.08797	1.9
161.09634	6.2
163.11166	5.7
165.09052	22.8
167.08524	2.8
167.10736	2.1
168.09341	2.8
169.10075	11.8
170.10831	2.7
171.11690	11.4
173.13176	6.9
175.11203	13.4
177.09085	2.2
179.08559	2.4
180.09377	2.3
181.10153	6.7
182.10922	2.4
183.11632	12.9
185.09692	2.4
185.13234	3.9
187.11171	1.8
187.14761	3.8
189.12711	7.1
191.14377	2.6
193.10094	2.2
195.11699	7.1
197.13213	3.1
201.12785	7.7
201.16356	1.9
203.14304	8.0
206.10912	1.9
207.11713	3.1
207.13795	2.4
208.19926	1.7
209.13284	2.9
211.14813	2.2
219.13852	3.1
221.15320	33.8
223.14825	3.0
227.14285	2.1
234.16103	3.9
253.15685	1.9
286.19043	2.2
287.20026	2.0
313.21613	1.8
391.26013	3.6
409.27072	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	409.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05513	25.9
56.75731	3.2
57.07063	3.3
62.05885	3.0
62.70457	3.2
67.05489	31.1
69.03413	6.5
69.07053	7.3
72.36285	3.3
77.50044	3.3
79.05479	31.8
81.07030	55.0
83.04967	4.1
85.06531	5.1
85.09572	4.0
91.05460	52.5
93.07032	72.5
94.11090	3.7
95.04947	44.1
95.08592	37.0
97.06480	7.8
103.05428	4.6
105.07014	100.0
107.08586	39.1
109.06480	15.4
109.10146	21.1
109.41979	3.3
117.06984	23.3
119.08552	77.5
121.06502	6.8
121.10107	26.4
123.08057	22.5
127.22298	3.7
128.06230	6.6
129.06993	8.5
130.07762	4.6
131.08528	24.1
133.10103	25.6
135.08032	9.1
135.11638	5.1
137.09589	7.9
142.07780	14.2
143.08540	30.0
144.09271	5.3
145.10098	41.0
147.08037	14.5
147.11656	22.0
149.09564	5.6
151.07521	24.3
155.08478	5.0
156.09305	8.2
157.10118	24.6
159.08058	5.2
159.11638	20.4
163.11162	4.5
165.09084	19.3
171.11653	16.6
173.13229	7.2
175.11086	6.3
181.10139	6.4
183.11664	8.3
185.13219	5.5
187.14856	6.0
189.12817	4.6
194.11169	4.2
195.11732	3.7
197.13171	4.2
203.14276	8.1
207.13689	6.0
209.13263	7.4
211.14757	7.2
221.15288	40.1
303.76474	4.9
409.27237	23.3
413.97458	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	409.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	26.2
57.07050	7.8
64.32842	3.9
67.05493	36.1
68.56745	4.2
69.03404	7.5
69.07038	11.3
79.05476	35.7
79.64748	4.7
81.07034	52.1
85.06522	5.0
85.61552	4.7
91.05462	49.9
93.07034	68.7
95.04956	43.3
95.08605	37.8
97.06521	10.2
105.07016	100.0
107.08572	32.4
109.06513	8.8
109.10101	6.4
114.36404	4.9
117.07034	16.5
119.08568	64.6
121.06485	8.9
121.10100	23.8
123.08002	22.8
123.65336	4.6
125.05973	5.4
129.07008	5.8
130.07747	6.9
131.08514	35.8
133.10059	23.9
135.08028	10.0
142.07751	19.3
143.08496	12.3
145.10081	42.8
147.08014	8.4
147.11627	20.0
149.09592	8.6
151.07495	26.5
153.10403	4.9
155.08496	7.5
156.09245	6.3
157.10089	28.4
159.11673	21.5
165.09131	11.6
167.08545	7.8
169.10109	6.8
173.09558	5.3
173.13237	5.6
181.10146	5.7
183.11595	5.1
219.86719	5.3
221.15323	26.4
234.16124	7.2
277.97018	5.4
409.27042	23.7
421.48441	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	409.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.1
55.05507	8.8
57.03432	17.0
59.04989	1.9
61.02918	3.8
61.54031	0.9
67.05485	2.1
69.03414	6.5
69.07047	4.4
71.01366	1.2
71.04976	41.3
73.02896	5.7
75.04454	9.4
79.05511	1.3
81.03410	5.2
81.07034	2.2
83.04961	9.9
83.08607	2.0
85.02892	100.0
85.06514	2.3
87.04434	3.6
91.05460	1.5
92.09317	1.8
93.07033	5.0
95.04973	1.9
95.08581	2.3
97.02879	7.9
97.06528	3.9
99.04426	1.5
101.05968	1.0
103.03917	1.0
105.07042	3.7
107.08598	2.2
108.08904	1.6
109.02851	1.5
109.06496	2.0
109.10209	1.5
110.06854	1.4
111.04436	4.0
111.08082	1.7
119.08544	1.7
121.10137	2.0
127.03896	5.1
129.05455	17.3
130.09396	0.9
133.10123	4.1
145.04944	4.9
147.04491	0.9
147.06493	9.9
147.11682	1.7
161.05978	2.1
167.08521	1.7
174.06772	0.9
189.05457	6.3
195.08255	1.6
210.15674	1.0
211.92712	1.0
213.09201	1.4
228.16681	1.2
255.40950	1.1
257.04330	1.1
259.09650	1.6
268.16220	1.0
309.54175	0.9
315.19617	0.9
340.76962	1.0
409.18661	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.8
53.53105	0.5
55.05498	1.0
55.39779	0.5
57.03411	0.6
67.05486	1.3
69.03412	1.4
69.07044	3.5
70.06572	0.9
71.04960	3.9
79.05476	0.9
79.83480	0.6
80.04984	0.7
81.07024	3.7
83.08611	1.0
85.02893	3.1
85.06518	0.9
91.05422	0.6
93.07011	2.8
95.04922	1.4
95.08580	4.0
97.06496	2.9
105.06995	2.9
106.07339	0.7
107.08626	4.7
108.08916	0.9
109.10121	2.7
119.08545	2.9
120.08121	0.7
121.10059	0.8
123.08022	0.6
129.09096	0.8
133.10085	3.9
135.11652	3.0
149.13234	0.8
172.66257	0.6
175.14825	1.1
176.15039	0.9
193.15834	1.6
203.03297	0.7
211.16776	5.4
212.17259	2.9
245.97002	0.7
247.13026	2.6
257.04453	1.0
263.12506	2.9
409.18210	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1829
Annotation	Unknow
Peak:m/z	Relative Intensity
53.88115	0.2
54.81607	0.2
55.05494	0.3
67.05492	0.4
68.94153	0.1
69.03414	1.6
69.07048	0.3
71.04995	0.4
74.21196	0.1
78.90408	0.2
79.05447	0.2
81.07033	0.7
83.04969	0.3
85.02885	1.0
85.06511	0.2
86.40605	0.2
91.05452	0.3
93.07033	0.7
95.08582	0.4
97.02849	0.2
97.06515	0.5
99.04439	0.3
99.08048	0.3
105.07007	0.4
107.08594	0.8
109.06510	0.2
109.10149	0.4
119.08524	0.3
121.10129	0.2
123.04414	1.3
124.04724	0.3
125.09597	5.0
133.10118	0.8
134.10545	0.2
134.33788	0.2
135.11719	0.2
161.05975	0.4
175.11136	0.2
185.04156	0.2
189.08934	1.1
193.12286	0.4
193.15875	0.3
195.08064	0.3
211.13367	0.3
211.16878	1.3
212.13483	0.2
215.07054	0.3
229.11989	1.1
229.14101	0.2
229.17947	0.3
247.13019	1.7
247.18782	0.4
285.09445	1.0
409.18237	100.0
410.18567	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.1828
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81296	0.2
55.05502	0.3
55.19615	0.2
56.06187	0.2
57.03416	0.2
61.02919	0.3
65.33870	0.2
67.05478	0.4
69.03394	1.3
69.07052	1.0
71.04973	1.2
71.05342	0.2
79.05495	1.1
81.07024	1.3
83.08627	0.3
85.02882	1.4
85.06537	1.0
91.05462	0.6
93.07014	1.5
95.01348	0.3
95.04926	0.3
95.08585	1.4
97.06522	0.5
99.04453	0.3
105.07007	2.0
106.07342	0.3
107.08597	1.6
109.10126	1.2
115.98840	0.2
116.90736	0.3
119.08569	1.2
121.10121	0.3
122.10438	0.3
123.11642	0.4
125.09612	2.0
127.03824	0.3
131.08536	1.2
132.08849	0.4
133.10075	3.2
134.10425	0.5
135.11671	0.4
137.21599	0.3
145.10080	0.3
149.09503	0.3
151.11166	0.3
153.38104	0.2
157.05408	0.3
175.14766	1.1
176.15205	0.4
185.04170	0.6
193.12215	1.1
193.15889	1.0
194.12486	0.4
203.05263	0.5
211.13297	0.6
247.05757	0.5
289.95636	0.3
409.11331	3.7
409.18237	100.0
410.18283	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	409.183
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38319	0.2
55.05494	0.9
57.03417	0.3
67.05486	1.3
67.05814	0.2
69.03421	5.7
69.07043	0.9
71.01331	0.3
71.04967	1.2
71.46102	0.2
76.50652	0.2
79.05457	0.5
81.07052	1.5
83.04965	0.4
85.02887	1.5
85.06527	1.0
86.03199	0.3
86.09673	0.4
91.05466	0.8
92.08639	0.4
93.07030	1.2
95.04968	1.4
95.08578	1.2
97.02885	0.3
97.06527	1.0
98.97562	0.4
99.04451	0.3
99.08080	1.6
105.07034	1.0
106.07380	0.2
107.08579	2.4
108.08932	0.4
109.06526	0.4
109.10125	1.4
115.05442	0.2
116.98610	0.2
119.08563	0.9
121.06443	0.2
121.10094	0.8
123.04423	1.3
123.08028	0.4
125.09614	13.5
127.07504	0.3
131.08568	0.4
133.10126	1.2
134.10489	0.3
135.11710	0.9
137.06039	0.3
137.09517	0.2
141.06943	0.5
143.08492	0.3
147.11700	0.3
149.09608	0.3
157.10062	0.3
160.05211	0.4
161.05933	2.5
163.03889	0.8
167.08536	0.5
169.06503	0.3
173.05873	0.3
175.07634	0.5
175.14790	0.4
185.09631	0.3
189.09036	2.7
193.12225	0.7
193.15913	1.2
195.08075	1.3
203.10660	0.8
211.13548	0.3
211.16920	4.1
213.09093	1.4
215.06973	2.1
215.14642	0.2
217.08684	0.3
229.11967	1.0
229.17929	1.5
231.10213	0.5
247.12950	1.5
247.19006	0.8
259.09641	2.1
285.09467	1.4
292.15134	0.2
408.19116	0.3
409.18262	100.0
410.18472	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2586
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	1.7
54.81361	0.9
55.01859	2.0
55.05491	7.2
57.03423	1.7
57.07068	1.2
61.95794	1.0
67.05486	7.1
69.03415	12.9
69.07056	15.6
71.04612	1.5
71.04977	28.6
77.86546	0.9
79.05473	8.9
81.03391	2.7
81.07040	19.5
83.04939	4.6
83.08597	4.3
85.02902	10.8
85.06527	11.1
91.05455	4.7
93.07017	14.5
95.04946	1.4
95.08588	19.5
97.02869	1.4
97.06498	6.2
99.04411	1.9
99.08083	12.3
99.66763	1.0
101.05984	1.1
105.07018	23.7
107.04939	2.4
107.08575	58.1
109.02867	1.6
109.06512	2.5
109.10143	25.8
111.08067	5.2
111.11700	4.9
113.09581	1.3
119.08566	13.4
121.06461	1.3
121.10152	9.2
123.08043	4.0
123.11680	12.6
124.85062	1.2
125.09598	22.0
127.11159	2.5
129.09055	11.5
133.02818	1.7
133.10097	18.4
135.11679	39.5
137.05940	1.3
137.09586	4.8
137.13191	1.0
145.02783	1.3
147.11707	16.1
149.13208	5.4
151.07559	5.7
151.14702	1.4
153.12717	12.1
155.08519	1.9
155.10602	1.9
163.03905	2.3
165.06984	1.8
165.12729	14.0
167.08514	2.6
171.99126	1.0
175.14787	30.3
183.08003	15.1
183.11853	1.1
183.13780	1.3
193.12286	8.9
193.15883	30.5
211.07622	9.8
211.13589	4.0
211.16901	100.0
229.14320	18.0
229.17871	10.0
298.86407	1.4
309.19614	1.2
346.16245	1.9
363.34692	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2589
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03191	0.4
54.19810	0.5
55.01854	1.0
55.05495	3.4
57.03397	0.8
57.07043	0.8
58.33867	0.5
59.04985	0.6
61.02905	0.8
67.05482	2.8
69.03400	3.7
69.07051	12.9
71.04972	31.6
72.91580	0.5
73.02908	0.8
73.06562	0.5
79.05482	1.1
81.03399	2.2
81.07038	7.2
83.08590	3.3
85.02880	8.9
85.06525	2.3
91.05458	8.9
93.07008	6.1
95.04920	1.2
95.08579	16.8
97.02850	1.3
97.06493	5.8
97.10156	1.0
99.04430	88.6
99.08050	1.0
101.05978	0.6
105.06989	3.4
107.04938	18.4
107.08570	10.9
109.02846	1.2
109.06506	0.9
109.10141	14.8
111.04386	1.1
111.11696	1.1
113.09617	8.9
115.07549	5.5
115.23026	0.6
119.04919	5.6
119.08557	7.8
120.05688	1.2
121.02847	0.7
121.10130	4.7
123.04341	0.8
123.08018	2.9
123.11672	6.5
125.09615	4.4
131.08556	0.8
133.10092	8.8
135.04381	14.1
135.11667	29.7
136.05156	0.8
137.09578	0.9
139.11133	2.4
141.06889	0.8
141.09108	0.9
141.12729	4.3
143.10670	0.8
145.04913	0.9
145.06514	0.7
149.13240	1.4
151.07544	0.8
151.14816	5.7
153.12688	2.5
155.08485	0.6
165.06969	3.1
165.12679	0.7
165.16380	1.2
175.14769	13.8
176.03944	0.6
183.08047	2.9
193.15840	15.0
211.07576	2.4
211.16893	100.0
212.17264	0.7
229.08539	33.9
278.33432	0.6
300.15778	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.2221
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52975	1.1
55.05491	1.4
57.03743	0.9
57.04816	1.0
57.07070	1.7
64.80087	1.1
67.05476	2.7
69.03395	1.7
69.07055	13.9
79.05470	4.6
81.07045	9.3
83.04967	1.3
85.02890	16.7
85.06525	4.9
91.05461	15.0
93.07023	18.1
95.04942	4.7
95.08565	1.7
97.02883	1.6
101.35125	1.1
105.06980	15.3
107.08589	7.9
109.02893	1.2
109.06499	16.2
109.10139	2.6
113.06049	1.6
117.56480	1.1
119.08543	6.1
121.10120	2.6
123.11682	2.3
127.07551	2.5
131.08537	6.9
133.10104	100.0
137.05933	7.3
147.11679	24.0
149.09602	1.9
151.07555	2.4
151.11162	66.7
155.06982	17.8
165.12775	2.7
175.11131	10.2
175.77248	1.2
190.46690	1.3
193.12218	37.1
211.13249	94.6
229.14328	26.9
295.82397	1.3
299.12634	1.3
306.29437	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.2
55.01850	0.3
57.03411	0.3
61.02895	0.4
63.24482	0.1
69.03405	1.1
71.35470	0.2
78.04685	0.2
79.05466	0.5
81.03368	0.3
85.02882	4.6
91.05442	0.7
93.07024	1.0
95.04974	0.2
97.02860	1.4
103.05448	0.3
105.07002	0.8
106.04171	0.5
107.04938	1.3
109.02850	0.3
109.06496	0.7
121.06477	1.6
123.04414	2.3
123.49349	0.2
124.05168	1.2
125.05952	0.3
127.03918	0.3
133.06461	0.9
134.26836	0.2
137.05913	1.2
145.04900	0.3
149.05946	2.5
151.03859	0.3
152.04652	1.1
161.05957	0.7
165.09145	0.2
166.06242	0.7
167.06992	100.0
168.07289	0.4
179.06903	0.3
181.08569	2.1
190.69913	0.2
193.08575	2.3
211.09613	8.3
212.07961	0.2
216.68477	0.2
229.10651	6.4
321.15936	0.2
389.28021	0.2
404.24808	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1862
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
53.92445	0.2
55.01848	0.2
55.05499	1.6
56.89012	0.2
57.03430	0.3
61.02890	0.8
69.03075	0.2
69.03416	1.5
70.06560	0.2
71.04970	0.9
72.08121	0.3
78.04692	0.4
79.05473	1.0
81.03397	1.5
81.07018	0.3
83.04953	0.8
83.08585	1.2
84.04479	1.0
84.08130	0.2
85.02418	0.3
85.02889	5.4
86.09655	0.5
91.05462	1.1
93.07015	1.1
95.04945	0.9
97.02867	1.3
97.06512	0.3
99.04430	0.4
103.05417	0.2
104.38353	0.2
105.06999	0.9
106.04159	0.4
107.04929	0.9
107.08570	0.3
109.06454	0.7
109.10165	0.3
111.08068	0.2
119.04928	1.1
119.08567	0.4
121.06474	1.8
121.10120	1.0
122.03560	0.2
123.04391	2.3
124.05231	0.8
125.05962	0.3
127.03906	0.3
129.10228	0.2
133.06456	0.8
133.07391	0.2
133.10129	0.2
136.07576	0.3
137.05937	1.2
137.28030	0.2
139.11127	0.8
147.04378	2.2
147.08009	0.2
148.04620	0.2
149.05983	2.6
149.13177	0.2
151.03880	0.4
151.07510	0.4
151.11151	0.8
152.04648	0.8
155.03401	0.2
161.05925	0.8
163.04070	0.2
165.08937	0.3
166.06203	0.4
167.07002	100.0
167.14206	0.7
168.07323	0.3
179.06953	0.3
181.08537	1.8
193.08592	3.2
196.07213	0.4
197.12872	0.3
203.05806	1.4
209.15352	1.9
210.15656	1.2
211.09628	10.0
218.08020	1.6
221.10283	0.3
229.10661	8.0
232.42381	0.2
246.07500	3.0
368.28256	0.2
408.12726	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.2
55.05504	3.8
56.05830	0.5
57.03427	0.3
59.04985	0.4
61.02895	0.4
67.05476	0.2
69.03406	1.5
69.07044	0.3
71.04955	1.0
78.04675	0.3
79.05463	1.1
81.03389	1.3
81.07041	0.4
83.04975	1.7
83.08604	3.1
84.08949	0.5
85.02885	5.5
91.05455	0.9
92.05750	0.2
92.08669	0.3
93.07005	1.3
94.07341	0.3
95.04938	2.3
95.08594	0.8
97.02867	1.6
97.06495	0.3
97.10172	0.3
99.04421	0.5
103.05415	0.9
105.07006	1.4
106.04156	0.4
107.04920	1.0
107.08574	2.0
108.08911	0.4
109.10130	1.4
111.08035	0.5
115.03924	0.2
119.08555	0.4
121.06470	1.6
121.10084	2.6
122.10446	1.3
123.04387	2.4
123.11697	0.4
124.05151	0.9
125.09563	0.4
126.09930	0.3
127.03851	0.5
133.06429	0.4
133.10092	1.0
137.02327	1.3
137.05923	1.0
139.11143	2.3
140.11482	0.9
147.04344	0.5
147.08023	0.3
149.05934	2.5
151.07530	0.4
151.11160	2.3
152.04636	1.0
152.11469	0.4
161.05908	0.9
167.06987	100.0
167.14244	2.5
168.07341	0.3
168.14606	1.2
179.06969	0.3
181.08571	3.0
191.14238	0.2
193.08546	2.5
196.48174	0.2
209.15289	4.6
210.15656	3.4
211.07645	0.3
211.09602	8.3
229.10660	7.3
246.07477	0.4
307.05206	0.2
324.51602	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
54.81788	1.0
55.05503	56.7
56.05019	1.2
56.96553	1.0
57.03430	1.8
58.99571	23.3
64.41679	0.9
66.08772	0.8
67.05492	3.3
68.97229	0.9
69.03404	3.7
69.07053	3.7
71.04977	4.6
73.01122	4.0
74.09664	0.9
76.02217	13.6
76.03994	7.3
76.46215	0.7
79.05474	6.6
81.03394	1.7
81.07043	10.1
83.04960	1.6
83.06082	1.6
83.08601	60.5
84.04487	40.5
85.01098	1.4
85.02886	6.0
85.06498	1.3
86.09679	0.9
86.99035	22.9
88.02198	5.5
91.05463	7.4
93.07010	6.8
95.01295	5.5
95.04932	8.2
95.08570	4.0
97.06490	1.9
99.02661	1.7
99.04433	2.0
99.05553	1.5
99.08068	1.1
101.05991	1.0
101.09605	0.8
102.05530	1.1
105.06991	7.6
106.07335	1.3
107.04897	1.3
107.08572	10.5
109.06489	4.9
109.10146	6.7
111.08033	1.2
115.05754	1.3
116.01651	99.8
119.01797	0.9
119.08544	4.3
121.06493	1.8
121.10117	9.2
122.06820	1.6
123.08058	1.3
123.11645	0.9
125.05973	3.6
127.07489	1.6
129.06566	4.4
129.07376	2.1
130.04965	6.3
131.08551	18.4
132.08876	7.8
133.09232	1.5
133.10112	14.9
134.10474	2.9
135.08060	4.5
135.11679	1.7
137.05925	3.3
137.09601	1.7
138.06328	1.0
141.07330	1.0
142.03183	9.5
144.01120	43.7
145.10097	4.7
146.10442	3.6
147.04405	1.1
147.08011	1.4
147.11679	5.4
149.09605	7.9
149.13145	1.3
150.09924	3.7
151.07500	3.9
151.11177	2.2
158.08025	1.1
159.08363	41.3
162.02165	100.0
163.02632	0.9
163.03897	1.4
163.11191	2.0
165.09036	1.8
167.06990	5.7
167.14299	1.0
168.07324	1.6
170.02750	1.0
175.11206	2.1
175.14832	3.8
176.11029	3.5
183.10011	1.1
187.07802	1.0
191.10646	1.9
192.10941	2.1
193.12241	11.1
193.15860	2.1
209.11734	10.0
209.15385	1.6
210.11996	8.8
210.15688	1.6
211.09698	1.8
211.13432	8.2
227.16495	1.5
229.10803	1.5
244.09937	1.2
245.05701	1.0
255.01468	0.9
261.10666	1.0
262.11014	39.9
279.13663	28.5
333.14587	10.6
390.16495	0.9
408.18179	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	408.1792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
54.81788	1.0
55.05503	56.7
56.05019	1.2
56.96553	1.0
57.03430	1.8
58.99571	23.3
64.41679	0.9
66.08772	0.8
67.05492	3.3
68.97229	0.9
69.03404	3.7
69.07053	3.7
71.04977	4.6
73.01122	4.0
74.09664	0.9
76.02217	13.6
76.03994	7.3
76.46215	0.7
79.05474	6.6
81.03394	1.7
81.07043	10.1
83.04960	1.6
83.06082	1.6
83.08601	60.5
84.04487	40.5
85.01098	1.4
85.02886	6.0
85.06498	1.3
86.09679	0.9
86.99035	22.9
88.02198	5.5
91.05463	7.4
93.07010	6.8
95.01295	5.5
95.04932	8.2
95.08570	4.0
97.06490	1.9
99.02661	1.7
99.04433	2.0
99.05553	1.5
99.08068	1.1
101.05991	1.0
101.09605	0.8
102.05530	1.1
105.06991	7.6
106.07335	1.3
107.04897	1.3
107.08572	10.5
109.06489	4.9
109.10146	6.7
111.08033	1.2
115.05754	1.3
116.01651	99.8
119.01797	0.9
119.08544	4.3
121.06493	1.8
121.10117	9.2
122.06820	1.6
123.08058	1.3
123.11645	0.9
125.05973	3.6
127.07489	1.6
129.06566	4.4
129.07376	2.1
130.04965	6.3
131.08551	18.4
132.08876	7.8
133.09232	1.5
133.10112	14.9
134.10474	2.9
135.08060	4.5
135.11679	1.7
137.05925	3.3
137.09601	1.7
138.06328	1.0
141.07330	1.0
142.03183	9.5
144.01120	43.7
145.10097	4.7
146.10442	3.6
147.04405	1.1
147.08011	1.4
147.11679	5.4
149.09605	7.9
149.13145	1.3
150.09924	3.7
151.07500	3.9
151.11177	2.2
158.08025	1.1
159.08363	41.3
162.02165	100.0
163.02632	0.9
163.03897	1.4
163.11191	2.0
165.09036	1.8
167.06990	5.7
167.14299	1.0
168.07324	1.6
170.02750	1.0
175.11206	2.1
175.14832	3.8
176.11029	3.5
183.10011	1.1
187.07802	1.0
191.10646	1.9
192.10941	2.1
193.12241	11.1
193.15860	2.1
209.11734	10.0
209.15385	1.6
210.11996	8.8
210.15688	1.6
211.09698	1.8
211.13432	8.2
227.16495	1.5
229.10803	1.5
244.09937	1.2
245.05701	1.0
255.01468	0.9
261.10666	1.0
262.11014	39.9
279.13663	28.5
333.14587	10.6
390.16495	0.9
408.18179	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	408.1322
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.4
53.13776	0.6
55.01869	1.0
55.05505	0.7
56.96557	0.9
57.03428	3.5
58.06784	0.7
60.49722	0.6
61.02914	3.3
65.03930	1.0
67.05520	0.7
67.47775	0.6
69.03419	11.0
71.04967	1.3
73.02901	3.0
81.03402	4.4
81.07056	0.9
85.02892	19.1
87.04446	2.9
91.03951	0.6
91.05453	1.0
93.07047	0.7
93.88703	0.7
95.04976	1.5
95.08625	1.4
97.02873	5.5
97.06482	0.8
99.02672	2.9
99.04405	1.5
105.07035	1.7
107.08562	0.7
109.02866	4.1
109.06545	0.9
111.04390	0.7
111.08051	0.7
118.06514	1.0
119.08569	1.6
121.06420	0.7
121.10143	0.7
123.08051	0.9
125.05994	0.8
126.03729	1.0
127.03886	3.2
127.04669	0.8
131.07278	1.4
133.06526	1.2
137.02321	16.4
137.05968	1.3
142.06766	0.8
145.04901	0.8
151.04510	8.6
151.07526	4.1
151.30234	0.7
152.05219	1.2
153.01823	4.5
155.03424	1.4
155.07057	0.7
164.05257	18.6
165.06035	1.4
165.09102	2.6
166.06857	2.8
167.07028	1.1
168.04793	2.9
171.30740	0.7
175.11098	1.4
180.04837	1.0
182.06326	82.7
183.07053	0.8
184.07874	1.0
192.04753	7.1
193.08600	3.9
193.12234	2.7
208.56400	0.7
210.05798	40.0
211.09656	4.0
211.13211	1.6
228.06857	100.0
229.10600	1.2
246.07881	14.3
257.97910	0.7
322.45505	0.7
327.31119	0.6
408.13025	13.4
408.17896	0.8
408.23553	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	408.0473
Annotation	Unknow
Peak:m/z	Relative Intensity
51.36721	0.1
54.82085	0.1
56.96529	0.3
60.11266	0.1
69.35052	0.1
69.88509	0.1
77.25876	0.1
89.63585	0.1
97.02855	0.7
98.97552	1.8
101.00829	0.8
102.96800	0.2
107.49681	0.1
111.35741	0.1
113.14546	0.1
116.98598	1.6
119.01899	7.6
119.12354	0.1
134.99673	1.2
137.02921	3.0
153.00836	0.2
158.99852	0.7
175.02968	0.2
177.00909	17.9
178.00946	0.3
182.99884	0.3
193.04050	0.2
195.01988	0.6
200.02365	0.2
201.00926	1.3
217.04025	4.3
219.01962	33.7
220.02029	0.9
221.02092	0.2
225.00725	1.9
237.02975	0.2
242.03661	0.2
243.01927	5.5
244.02214	0.2
261.03000	100.0
262.03101	3.2
263.02902	1.2
264.02872	0.2
267.56415	0.1
270.98016	0.1
274.97397	1.3
275.04489	0.2
277.00894	0.8
278.00980	0.2
279.00974	0.1
282.99918	0.6
283.99979	0.2
284.04623	1.8
284.99838	0.3
292.98416	1.0
301.01010	0.9
302.01077	0.6
303.00854	0.7
305.00598	0.2
367.01917	1.2
373.02124	0.2
385.03067	9.6
386.03128	0.2
403.04141	12.4
404.04120	0.3
408.04651	0.2
414.08658	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44615	2.9
55.05502	5.9
61.35922	3.4
66.60420	4.4
67.05489	26.1
67.76400	3.3
68.60081	3.3
68.81065	3.6
69.07044	21.3
71.04978	19.0
79.05476	23.0
81.07038	61.3
83.08610	5.1
91.05457	23.6
91.51167	3.3
92.08721	7.2
93.07020	58.3
95.04903	5.6
95.08566	43.6
105.07001	84.6
107.08549	28.9
109.10133	22.1
111.08082	3.8
117.06985	15.4
119.08558	100.0
121.10116	28.3
123.11687	5.1
130.07722	6.0
131.08554	26.1
133.10147	28.2
135.11699	6.4
143.08572	7.0
144.09326	8.1
145.10109	54.4
147.11668	22.1
149.13237	7.0
157.10068	26.6
159.11644	75.8
161.13202	8.3
171.11671	8.4
173.13203	20.5
175.14751	6.0
185.13272	6.3
187.14778	18.8
189.16394	15.9
197.13190	4.6
201.16408	14.7
213.16359	8.5
215.17934	13.7
229.19421	4.3
275.70639	3.8
407.28409	4.3
407.32706	28.5
425.03131	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	407.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75800	1.9
53.03915	3.7
55.05510	23.8
57.07050	2.3
67.05496	31.6
67.18996	2.3
69.07057	22.3
70.96481	2.0
71.04978	25.6
71.62836	2.9
79.05475	30.9
81.07038	88.2
83.08595	3.6
91.05464	36.7
93.07024	100.0
95.04955	12.3
95.08576	71.1
97.06516	2.8
97.10143	2.9
105.07008	88.2
106.37150	2.5
107.08574	62.8
109.06496	13.3
109.10124	42.6
111.08095	9.6
117.06992	17.1
119.08556	95.0
120.60738	2.3
121.10106	57.3
123.08065	4.1
123.11674	13.2
129.06953	3.9
131.08548	32.3
133.10089	47.2
135.11688	14.0
137.09636	5.6
137.13206	3.6
142.07782	4.3
143.08531	20.9
144.09322	5.5
145.10106	60.5
147.11678	35.5
149.09558	3.5
149.13266	17.5
156.09297	4.8
157.10080	33.0
159.11659	63.2
161.13232	20.7
163.14738	4.9
169.10092	11.6
171.11681	18.6
173.13237	33.5
175.14803	12.9
177.16449	3.2
183.11659	11.4
185.13222	19.4
187.14775	30.0
189.16399	13.0
197.13156	8.1
199.14772	15.8
201.16368	20.1
203.17824	3.5
211.14836	4.6
213.16374	16.4
215.17943	20.7
217.19484	2.5
225.16299	3.3
227.17885	5.1
229.19469	4.9
239.17888	4.4
253.19569	3.3
255.20959	10.0
257.22525	13.2
269.22595	3.5
281.22510	4.8
323.27344	2.9
389.31778	5.3
407.32919	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.2
57.07060	9.1
58.34925	0.6
65.03942	0.9
67.05494	1.1
69.07052	21.3
71.08612	10.3
81.07038	3.0
93.07000	2.1
95.08533	2.2
105.07022	3.1
107.08600	2.7
108.13789	0.7
109.10127	1.2
111.11689	2.6
119.08580	3.0
121.02826	4.4
121.04025	0.7
121.10149	1.2
129.12726	1.5
133.10143	1.0
145.10071	1.0
146.25153	0.7
149.02315	100.0
157.10052	0.7
159.11693	1.3
167.03372	6.3
183.54668	0.6
187.14801	0.6
337.02402	0.7
348.96091	0.6
349.80637	0.7
407.34497	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.3305
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21089	2.2
53.03942	3.8
54.81453	2.8
55.01866	3.9
55.05499	18.8
57.07063	11.7
67.05498	33.4
69.07060	42.3
71.04984	22.9
79.05461	26.1
81.07040	93.4
83.08601	23.9
88.63908	3.3
91.05456	26.4
92.08669	9.7
93.07024	100.0
95.04929	5.3
95.08006	4.5
95.08590	82.1
97.06513	4.4
97.10131	7.3
105.07020	69.8
107.08573	67.0
109.06480	11.7
109.10130	46.3
111.08053	16.6
117.06996	13.2
119.08561	87.3
121.10116	51.6
123.08048	3.0
123.11680	19.8
125.02317	16.4
127.03729	2.9
129.06964	3.7
131.08565	31.9
133.10110	30.8
135.07996	3.6
135.11694	21.8
137.09605	6.5
137.13222	3.0
142.07782	2.9
143.08551	15.3
144.09364	3.7
145.10115	49.0
147.11642	27.0
149.13226	15.5
156.09271	5.5
157.10103	22.0
159.11661	59.7
161.13228	23.3
163.14906	3.7
167.06880	4.3
169.10147	3.4
171.11690	23.5
173.13205	35.6
175.14795	6.7
183.11707	4.1
185.13274	12.8
187.14792	19.3
189.16374	6.2
197.13243	3.8
199.14856	12.8
201.16412	13.4
211.14816	5.4
213.16368	16.3
215.17949	17.8
225.16399	3.5
227.17851	10.9
229.19519	5.6
253.19437	4.3
255.21024	6.6
257.22568	6.6
389.30365	24.2
407.28113	4.7
407.32846	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	407.2271
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57779	1.5
51.16401	1.3
55.05504	53.3
57.03417	3.2
59.04996	3.8
67.05481	4.1
69.03410	4.1
69.07043	7.9
70.01103	1.8
71.04974	10.9
77.99106	1.6
78.38391	1.5
79.05484	3.2
81.03387	17.9
81.07027	16.5
83.04496	2.9
83.04950	24.5
83.08602	34.8
85.02895	20.3
85.06509	3.4
91.05456	3.2
93.07008	16.9
95.04945	31.6
95.08614	15.8
97.02881	2.2
97.06516	3.8
97.10172	8.0
99.04420	11.8
101.81458	1.7
105.07000	7.6
107.08560	23.8
109.06474	7.5
109.10152	18.2
111.08097	3.9
119.08566	8.3
121.10119	40.8
123.11674	6.7
125.09615	7.2
131.08516	2.9
133.10110	11.1
139.11139	29.6
147.11725	3.9
149.06033	1.8
149.09546	1.7
149.13269	2.7
151.11139	34.0
153.09065	7.4
163.14825	3.9
167.07002	49.4
167.14272	39.4
170.09627	1.7
173.13228	9.9
191.14258	3.1
209.15331	100.0
211.09644	3.7
229.10564	2.5
229.15900	1.6
349.02396	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.2272
Annotation	Breyniaionoside C
Peak:m/z	Relative Intensity
54.30641	0.9
55.05506	28.4
55.54570	1.1
57.03418	1.6
57.07064	4.5
59.04984	1.9
61.02903	1.7
67.05488	6.9
68.62676	1.1
69.03412	6.2
69.07058	15.1
71.04968	7.2
77.81408	1.2
79.05480	13.5
81.07051	12.3
83.04964	13.4
83.08601	19.2
85.02895	10.0
85.06532	6.9
85.76566	1.0
91.05464	9.2
93.07028	47.8
94.07366	1.9
95.04945	38.5
95.08579	8.7
96.05261	2.0
97.02870	1.4
97.06512	13.1
97.10143	4.5
99.04446	7.7
99.08057	1.9
105.07008	16.0
105.43714	1.1
107.08574	45.7
108.08884	1.9
109.06519	13.1
109.10113	12.6
110.06843	1.4
111.08083	4.7
113.05943	1.3
115.07552	13.5
117.06969	1.3
119.08575	12.3
121.10120	100.0
122.10454	6.2
123.08011	2.2
123.11647	5.8
125.09612	5.6
127.03879	1.2
131.08539	9.3
133.10083	21.9
134.10391	1.8
135.08008	2.0
135.11649	7.5
145.10075	2.4
145.72598	1.3
147.11694	8.5
149.13245	4.7
151.11142	18.7
153.09070	12.0
154.09386	1.4
158.10832	1.6
163.14775	19.1
164.15123	1.4
167.06938	1.2
167.14291	17.1
173.13226	17.5
174.13373	1.2
175.14839	4.7
191.14302	19.8
192.14680	2.6
209.15332	60.5
210.15666	4.7
227.16394	8.6
260.11371	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	407.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
53.59247	0.7
55.05490	0.7
67.05487	1.4
69.07050	1.1
72.97350	0.9
79.05436	1.4
81.07039	4.0
91.05448	1.9
93.07008	1.4
95.04926	1.1
95.08569	1.0
97.06513	0.9
105.07011	1.9
107.04937	59.9
107.08601	1.1
109.10101	1.2
119.08598	1.4
141.06918	0.9
151.03912	1.8
153.31775	0.9
160.28072	1.0
161.05934	1.4
168.05614	1.0
169.06459	1.5
171.04388	1.4
195.11623	1.4
197.05946	3.8
202.79118	0.9
225.05365	4.0
226.06212	1.4
227.98924	1.0
239.07007	1.3
241.04916	1.7
257.08023	100.0
389.24292	1.0
407.14969	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	407.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72369	0.4
55.01840	0.4
55.05484	0.7
66.63560	0.4
67.05479	1.8
68.99791	0.3
69.03418	0.4
69.07035	1.6
70.27877	0.3
71.04932	0.5
79.05464	2.2
81.07034	3.5
83.04939	0.5
85.02884	0.5
85.06512	0.5
91.05424	0.8
93.07005	2.3
95.04929	2.5
95.08573	2.6
97.06541	0.4
105.07006	2.7
107.04935	60.2
107.08563	2.3
109.06502	0.6
109.10127	0.9
117.06950	0.4
119.04897	0.6
119.08544	0.7
121.02874	0.5
121.06524	0.4
121.10071	0.5
129.07007	0.4
131.04874	0.4
131.08521	0.7
133.06432	0.6
133.10124	0.6
135.04370	0.7
135.11642	1.5
137.05946	2.0
141.06934	2.2
143.04948	0.5
147.04489	0.4
150.13643	0.4
151.03868	3.5
152.06183	0.4
153.06937	0.5
158.07175	0.5
161.05917	1.5
163.03860	1.4
165.05438	0.4
168.05612	0.6
169.06430	2.2
171.04346	2.3
181.06389	0.9
183.08047	1.6
197.05905	3.2
198.06723	0.5
203.06990	2.2
209.05911	0.6
211.07433	0.7
213.05496	0.4
214.06216	0.7
224.04570	0.4
225.05411	3.2
226.06174	0.8
229.08595	0.6
239.06883	1.5
241.04855	5.4
243.09937	0.4
257.08017	100.0
283.05948	0.8
389.13757	0.5
407.14886	7.7
407.23666	0.6
407.29202	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.3
55.01850	0.5
56.45607	0.2
56.96547	0.7
61.02920	0.5
67.05481	0.5
79.05463	0.8
81.07056	0.4
91.05473	0.6
95.04948	0.5
105.06990	0.4
107.04940	51.8
115.05396	0.5
119.08611	0.4
131.04965	0.3
133.06467	0.4
135.04398	0.5
137.05931	0.6
141.06979	1.6
151.03891	2.4
155.47565	0.3
157.06476	0.4
161.05942	1.7
163.03876	1.4
165.06845	0.4
168.05722	0.4
169.06458	2.8
171.04379	2.1
181.06488	0.7
183.08037	0.4
186.06697	0.4
196.05283	0.5
197.05962	3.8
198.06836	0.4
201.09131	0.3
203.07114	1.1
209.05894	0.4
211.07611	0.6
213.05591	0.4
225.05452	2.6
226.06236	1.2
229.08685	0.4
239.06924	2.2
241.04936	4.2
242.05591	0.5
257.08035	100.0
258.08371	0.3
267.09091	0.4
285.10004	0.6
407.14862	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	407.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01863	0.5
55.05499	0.5
56.96559	0.4
57.00791	0.2
57.03405	0.3
57.07067	1.3
57.69743	0.2
61.02906	0.5
67.05481	1.0
69.07026	0.3
70.06586	1.9
73.02882	0.3
79.05475	2.8
81.07029	1.3
83.04962	0.5
84.92925	0.3
85.02894	0.4
86.09684	0.3
91.03955	0.3
91.05482	1.1
92.09347	0.7
93.07024	1.4
95.04951	1.4
95.08584	1.2
97.02897	0.3
105.07014	1.4
107.04937	57.3
107.08575	0.6
109.06500	0.3
109.10128	0.3
115.05454	0.4
115.25962	0.3
119.08582	1.2
119.45840	0.3
121.06418	0.3
125.02365	0.3
128.06232	0.4
129.06999	0.5
131.04893	0.6
131.08521	0.3
133.02762	0.3
133.06470	0.6
133.10147	0.3
135.04355	0.3
137.05991	0.6
141.06998	2.0
143.08508	0.3
144.05644	0.4
145.06422	0.4
145.10071	0.4
146.11804	0.4
151.03870	3.0
151.07518	0.4
153.06929	0.4
157.06403	0.3
161.05931	0.4
163.03926	1.0
165.06883	0.3
168.05643	0.6
169.06445	3.6
171.04382	2.2
181.06499	1.4
183.08003	1.2
186.06755	0.3
196.05219	0.4
197.05945	3.3
198.06749	0.7
203.06955	1.7
209.05981	0.3
210.06624	0.3
211.07515	1.3
214.06229	0.5
225.03294	0.4
225.05383	3.7
226.06181	1.7
229.08589	1.1
239.07028	1.8
241.04945	3.9
242.05725	0.4
256.26294	0.5
257.08026	100.0
258.08188	0.3
300.28857	1.8
301.29297	0.6
344.31644	0.6
345.31821	0.3
347.15720	0.3
376.26010	3.2
406.35242	2.8
407.14905	6.7
407.30206	0.4
407.35464	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	407.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83948	0.4
54.13691	0.4
55.01862	0.6
56.43025	0.4
56.96541	0.4
57.03420	0.5
66.78788	0.4
67.05489	0.9
69.15450	0.5
73.50793	0.5
79.05448	2.2
81.07021	0.7
84.24715	0.4
91.05430	1.1
93.06981	0.9
95.04939	0.9
95.08567	0.8
101.83980	0.4
105.07029	0.6
107.04933	56.4
109.06470	0.7
112.08449	0.5
113.02349	0.5
115.05441	0.5
116.28842	0.4
119.08521	0.7
121.06480	0.5
123.04392	0.5
133.06488	0.6
135.04370	1.7
137.05914	1.0
141.06955	2.0
145.10066	0.5
151.03899	2.6
153.06953	0.7
157.06453	0.6
161.05898	0.8
163.03877	1.8
165.05463	2.1
169.06479	3.3
171.04393	1.7
181.06416	0.8
186.06783	0.6
196.25790	0.5
197.05965	3.0
198.06703	0.8
203.07071	1.6
211.07478	0.8
213.05399	0.6
214.06189	0.6
220.79648	0.5
225.05350	3.2
226.06265	1.0
229.08543	0.7
239.06863	1.0
241.04849	4.3
251.06879	0.5
257.08014	100.0
285.09906	0.9
287.09030	1.0
407.14679	6.2
407.23660	0.7
416.75327	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1485
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.9
56.96534	1.0
60.08359	0.9
64.33207	0.9
67.05482	1.3
79.05453	1.4
81.07036	2.0
91.05458	3.4
93.07028	1.9
95.04953	1.8
95.08568	1.4
105.06995	3.4
107.04940	56.9
107.08572	1.4
109.06561	0.8
109.40884	0.8
119.08572	1.3
123.04372	0.9
131.08530	1.5
133.10077	1.0
137.05949	3.3
141.06995	1.4
151.03867	3.2
155.08435	1.0
157.41589	0.9
161.05920	1.0
163.03833	1.2
165.05440	1.4
169.06439	1.8
171.04462	1.4
197.05998	4.5
209.06020	0.9
211.07629	1.1
225.05431	1.9
226.06316	1.4
228.16251	0.8
228.95778	1.0
239.07108	1.0
241.04813	4.5
257.08032	100.0
285.10086	1.4
407.14984	6.8
407.24005	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	407.1332
Annotation	Arthromerin A
Peak:m/z	Relative Intensity
50.15192	0.2
51.26350	0.2
51.27967	0.2
51.33414	0.2
51.92426	0.2
52.67519	0.2
53.03932	0.4
55.01858	0.5
55.05499	2.1
56.05821	0.2
57.03440	0.3
59.54075	0.2
59.80730	0.2
61.02883	0.3
65.03922	1.0
66.69868	0.3
67.05499	2.7
68.99767	1.1
69.03406	1.4
69.07044	1.5
71.04949	0.5
77.03905	0.5
79.05464	1.3
81.03396	0.5
81.07034	2.6
83.04459	0.3
83.04960	8.9
83.08594	0.2
84.04458	0.3
84.05299	2.0
85.02907	2.0
85.06536	0.5
91.05477	1.9
93.03361	0.5
93.07011	2.5
95.04928	2.6
95.08588	1.3
95.15894	0.2
97.02872	0.5
97.06496	0.4
99.08086	0.6
99.28356	0.3
105.03387	1.8
105.04481	0.3
105.06994	1.7
106.07343	0.3
107.04933	1.2
107.08593	2.8
108.08927	0.5
109.06495	0.5
109.10143	0.3
110.06830	0.2
111.00834	0.9
111.04421	5.9
112.04750	0.5
117.07040	0.9
119.04911	0.4
119.08559	1.2
120.08090	0.4
120.08882	0.3
121.06483	0.5
121.10137	2.6
123.04398	100.0
123.08019	1.0
124.04787	0.3
125.09584	0.3
129.05458	2.7
130.05733	0.3
131.08536	2.4
133.06482	0.3
133.10104	1.3
135.04405	1.6
135.08034	0.6
135.11636	0.4
137.02263	0.3
139.03877	41.2
145.06444	0.4
145.10089	1.4
146.10469	0.4
147.04382	7.2
147.11653	0.4
149.09592	1.5
149.13231	0.5
150.10033	0.3
151.03877	2.4
151.11176	0.4
163.03882	1.8
163.07516	0.5
163.11145	1.0
163.14748	0.3
165.05449	0.5
167.07030	0.6
173.13226	0.5
180.00502	0.3
189.05515	1.0
191.10655	0.6
191.14230	1.9
192.14523	0.5
209.11728	1.0
209.15309	2.2
210.12013	1.1
210.15691	0.6
227.16425	0.5
273.07507	15.3
407.13660	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.3524
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05510	0.8
56.05049	0.6
56.96540	1.0
57.07065	9.9
58.06577	3.7
61.02903	0.7
63.61516	0.4
64.04548	0.4
67.05485	0.8
68.04998	0.6
69.07030	0.7
70.06576	33.1
71.08611	3.1
72.08137	4.2
79.05468	0.8
81.07037	0.8
81.72266	0.5
84.08129	4.6
85.02831	0.6
85.10159	0.6
86.09680	6.5
88.07624	3.5
89.06013	2.4
91.05441	1.1
93.07030	1.0
95.08584	0.6
105.07021	0.8
107.04920	4.6
114.09125	3.6
119.03580	0.5
119.08606	0.7
121.85423	0.4
131.08554	0.5
132.10172	11.5
138.46680	0.6
146.11742	11.6
151.03825	0.6
151.07443	0.5
164.19768	0.5
176.12816	2.9
190.14330	0.9
196.35110	0.5
212.23685	4.3
238.25223	3.1
256.26337	3.0
257.04214	0.5
257.08026	8.8
260.17172	0.5
285.09946	0.6
300.28915	66.4
344.31534	29.8
406.35181	100.0
407.15100	0.5
407.23770	3.1
407.35492	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2428
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23675	1.1
55.01849	2.0
55.05500	33.8
57.03411	5.7
57.07046	5.9
59.04966	4.4
61.02903	2.7
65.35059	1.1
67.05486	14.2
69.03415	13.7
69.07059	12.8
71.04971	9.6
73.30229	1.1
79.05463	17.4
81.03385	2.8
81.07032	36.2
83.04953	25.5
83.08595	21.9
85.02885	34.5
85.06515	26.9
87.04434	6.4
91.03865	1.1
91.05453	15.5
93.07013	24.9
95.04348	1.6
95.04929	16.8
95.08582	17.3
97.02876	10.3
97.06496	20.8
97.10210	4.1
99.04399	4.6
99.08098	1.8
105.07011	32.8
107.04906	2.4
107.08571	47.6
109.02875	2.6
109.06495	48.4
109.10130	44.8
110.93515	1.2
111.04452	1.5
111.08060	11.9
115.07578	4.3
117.06973	2.8
119.08543	25.1
121.06457	4.5
121.10107	44.5
123.08031	7.9
123.11685	18.8
125.05997	2.6
125.09596	10.8
127.03864	5.0
129.06944	1.8
131.08540	40.5
133.10095	60.7
135.08028	9.8
135.11665	5.7
137.09563	4.9
139.11166	1.5
144.09352	1.2
145.04918	3.0
145.10097	21.1
147.11641	21.2
149.09602	20.4
149.13219	18.5
151.11151	25.2
153.09077	10.6
158.10880	8.0
163.11148	5.5
163.14839	6.2
165.09103	2.0
165.12669	4.9
167.10626	14.9
167.14268	32.3
173.13202	39.3
175.14748	11.1
191.10582	14.3
191.14252	31.0
197.50458	1.3
209.11961	13.8
209.15312	100.0
215.14401	1.4
227.12749	27.0
227.16335	20.8
282.42743	1.3
361.88495	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2431
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13717	2.1
55.01870	2.8
55.05497	17.6
57.03415	12.4
57.07047	2.2
65.44176	2.5
67.05484	11.1
69.03400	6.2
69.07056	10.8
71.04972	45.9
79.05469	17.1
81.07030	30.9
81.36355	2.5
83.04958	12.1
83.08578	4.3
85.02423	3.2
85.02897	54.0
85.06509	4.3
91.05453	12.6
93.07018	30.3
95.04958	4.4
95.08566	24.9
97.06513	3.0
99.04414	5.5
105.07016	55.1
106.07348	2.9
107.08575	100.0
107.68980	3.0
109.06482	11.9
109.10104	26.9
110.01601	2.5
119.08559	79.1
120.08931	3.5
121.10113	49.4
123.08016	5.2
123.11666	10.2
125.05943	4.6
125.09601	5.6
127.07527	14.5
129.05431	6.6
131.08548	10.4
133.09085	4.0
133.10094	26.8
135.08040	6.3
135.11647	12.1
137.05931	4.4
137.09613	5.7
142.60028	2.6
145.10182	6.1
147.11679	12.3
148.11172	57.2
149.09587	5.6
149.13231	11.1
151.07500	24.6
151.11227	4.7
153.09056	11.7
154.09309	2.9
161.13220	98.9
163.11095	2.9
163.14815	4.0
165.09038	4.4
167.10701	4.3
173.13223	6.3
178.76251	2.4
179.14307	35.4
181.12209	4.9
189.12741	10.9
191.14272	18.5
207.13766	59.3
209.11551	3.0
209.15373	36.8
225.14853	29.2
227.12737	3.0
227.16397	17.1
393.24365	2.7
393.33997	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	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
52.52419	0.7
55.05503	41.0
57.03384	0.7
59.04997	0.9
67.05484	3.0
69.03426	3.4
69.07048	1.2
71.04986	1.1
75.92469	0.8
79.05476	1.3
81.07030	6.1
83.04963	19.7
83.08603	31.1
85.02916	1.1
85.06527	7.3
93.07022	3.2
94.40818	0.6
95.04927	4.0
95.08579	3.6
95.81467	0.7
97.02855	0.8
97.06516	3.4
97.10155	6.6
105.07017	1.6
107.08573	12.4
109.06489	3.0
109.10141	14.7
111.08072	7.9
113.09635	1.5
119.08531	1.6
121.10108	6.3
123.11680	5.8
125.09621	7.0
127.07525	4.2
133.10107	4.5
145.10106	4.6
147.11668	1.4
149.13257	4.4
151.11154	34.4
152.26523	0.7
163.11121	1.7
167.14273	41.8
191.10674	1.7
209.06020	1.2
209.15329	100.0
217.04608	0.8
220.77716	0.7
227.07019	1.1
227.12790	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	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
50.45295	1.1
51.51912	0.9
55.05503	36.8
59.04987	2.1
59.85571	0.8
60.73385	0.9
67.05480	4.1
68.18823	0.8
69.03403	5.0
69.07058	1.7
71.04956	1.0
71.41376	0.9
79.05466	1.3
81.07049	8.2
83.04967	31.8
83.08600	27.3
85.02922	3.6
85.06544	1.7
89.48212	1.0
91.05449	1.3
92.08675	1.5
93.07017	4.9
95.04948	2.1
95.08585	2.3
97.06509	5.3
97.10150	5.0
105.07005	2.4
107.08574	11.9
109.06511	4.3
109.10143	17.8
111.08052	5.7
112.08858	1.0
121.10162	7.3
123.11683	7.0
125.09641	7.7
125.65430	0.9
133.10098	7.3
135.08043	4.4
139.68584	1.0
147.11752	1.3
149.13228	4.0
151.11163	33.1
153.09070	1.4
167.03380	1.0
167.14281	50.5
173.13145	2.2
191.14288	2.3
209.15340	100.0
213.81377	1.3
214.52492	1.1
227.16388	3.9
273.94803	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2429
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	1.6
55.05495	7.1
57.03422	6.5
57.07073	2.1
59.04957	1.7
67.05501	3.8
68.19724	1.3
69.03411	8.6
69.07051	20.6
71.04980	6.3
75.06306	1.7
77.92999	1.4
79.05476	6.5
81.07034	17.5
83.04961	3.6
83.08609	3.2
85.02885	25.4
85.06514	3.9
91.05457	9.9
93.07010	21.5
95.04949	34.9
95.08574	14.6
97.02859	6.1
97.06492	25.5
97.10135	1.5
97.59908	1.6
99.04441	6.1
99.08078	8.0
102.61307	1.4
105.06990	24.9
107.08569	31.0
109.06490	44.7
109.10152	12.5
111.08066	8.7
113.09639	1.7
115.07558	2.3
119.08537	19.1
121.06468	3.8
121.10114	37.9
123.08043	9.8
123.11681	7.8
123.90026	1.6
125.09587	4.0
127.03928	1.8
131.08539	15.1
133.10106	67.4
135.07973	12.0
135.11676	10.6
137.09592	2.7
139.11139	6.0
139.90887	1.6
145.10118	8.6
147.11668	59.3
149.09619	1.9
149.13246	17.8
151.11128	11.1
153.09056	20.4
158.10889	3.8
161.13173	1.8
163.11198	2.3
163.14796	8.8
165.12730	10.6
171.10144	6.7
173.13213	29.6
191.14249	44.0
195.70659	1.8
209.15326	51.5
218.19867	1.6
227.16353	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2432
Annotation	Unknow
Peak:m/z	Relative Intensity
52.65317	1.1
53.03937	1.2
55.01868	1.7
55.05504	12.1
57.03128	1.1
57.03416	8.4
57.07064	1.8
59.04984	2.2
61.02903	3.2
67.05486	11.3
68.33414	1.3
69.03408	11.6
69.07052	16.7
70.29344	1.4
71.58627	1.3
73.02899	2.5
79.05470	12.5
81.03369	1.9
81.07035	39.0
83.04969	14.1
85.02888	37.4
85.06516	1.5
87.04435	12.6
91.05441	7.9
93.07016	51.3
95.04931	3.7
95.08587	35.0
95.98131	1.3
97.02864	7.6
99.08033	1.8
101.70644	1.5
105.06999	23.4
107.04947	1.7
107.08574	55.4
109.02868	2.4
109.06498	13.3
109.10138	24.7
111.08079	6.1
111.11646	2.3
117.06966	2.0
117.45103	1.4
117.72583	1.5
119.08565	16.3
121.06473	5.9
121.10115	78.5
123.08041	52.6
123.11678	66.3
127.03852	3.2
127.07516	9.4
131.08540	10.8
133.10100	19.0
135.04361	2.4
135.08041	8.2
135.11659	8.7
137.05939	2.7
137.09555	12.1
139.03867	3.7
139.11172	7.5
141.09077	12.2
145.04912	7.4
145.10101	3.5
147.11661	20.8
149.09595	30.6
149.13240	15.0
151.11153	35.4
153.09052	13.3
154.09837	9.5
155.10612	7.2
158.10826	5.9
161.13194	3.1
163.05940	2.4
163.11212	1.8
163.14809	6.3
165.12704	9.7
167.10626	100.0
167.53181	1.5
173.13206	25.9
191.14301	21.6
196.71503	1.6
209.15324	92.4
227.12816	3.3
227.16350	63.3
353.22012	1.8
413.16153	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.7
55.01862	1.7
55.05503	28.0
57.03417	5.7
57.07056	6.4
59.04994	1.7
61.02913	1.9
67.05489	13.8
69.03416	12.9
69.07050	11.7
71.04958	7.6
79.05458	9.3
81.03399	3.5
81.07038	27.2
81.07499	1.0
83.04961	26.3
83.08598	25.1
83.09077	0.9
85.02890	27.9
85.06525	15.5
86.55376	0.8
87.04455	4.6
91.05463	12.2
93.07027	22.0
95.04942	14.4
95.08586	12.4
97.02858	8.2
97.06507	22.8
97.10143	2.2
99.04433	4.2
99.08070	1.7
105.07012	26.5
107.04953	1.2
107.08573	38.9
107.09293	1.8
109.02878	1.5
109.06495	42.9
109.10139	40.2
111.04431	2.0
111.08081	7.6
113.05978	1.1
113.09607	1.4
115.07544	2.0
117.06993	3.7
119.08550	16.7
121.06511	1.9
121.10114	46.5
123.08035	6.9
123.11668	20.0
125.05964	1.4
125.09599	9.1
127.03882	2.1
127.07591	1.3
129.06985	1.7
131.08536	28.8
133.10097	52.1
135.08025	6.8
135.11682	4.5
137.09558	1.5
137.13211	1.1
139.11104	1.6
143.08546	1.7
144.09375	1.2
145.04936	4.5
145.10074	15.0
145.68230	1.1
147.08073	1.2
147.11659	22.5
149.09593	13.6
149.13231	13.9
151.11168	23.0
153.09094	10.6
158.10884	5.5
163.11143	3.8
163.14804	6.3
165.12732	6.2
167.10625	16.6
167.12975	1.9
167.14287	31.6
173.13220	34.8
175.14745	8.3
191.10594	8.2
191.14273	23.7
193.15807	1.0
209.12065	10.5
209.15323	100.0
227.12834	12.7
227.16347	24.7
274.88870	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.43897	1.1
53.03926	2.4
55.01876	1.9
55.05503	14.3
56.40421	1.3
57.03419	6.1
57.07063	12.3
61.02908	1.4
65.98112	1.2
67.05488	7.2
69.03409	7.6
69.07051	17.0
71.04977	6.5
79.05470	20.4
81.03383	2.7
81.07040	82.5
83.04964	46.8
83.08602	13.2
85.02883	21.0
85.06529	1.7
91.03121	1.3
91.05466	5.9
93.07031	29.5
95.04954	27.6
95.08578	19.7
97.02862	5.6
97.06507	17.9
97.10124	1.8
99.04411	5.9
105.06998	12.9
107.08574	56.7
109.02859	1.8
109.06499	100.0
109.10123	16.8
110.03139	1.4
111.08031	10.0
115.07556	10.0
119.08524	5.6
121.10115	77.4
123.08036	7.3
123.11701	15.0
125.09607	21.4
125.13246	2.1
127.03885	2.8
131.08542	5.9
133.10094	28.8
135.08060	12.5
135.11649	10.9
135.43211	1.7
137.13246	8.4
139.11102	1.5
145.10110	1.7
147.11636	7.2
149.13228	22.4
151.11130	3.3
151.72101	1.3
153.09094	22.9
163.14790	37.3
167.14224	10.6
173.13232	13.7
181.15822	16.2
191.14276	20.5
209.15338	87.5
227.12846	1.8
227.16418	7.2
262.95715	2.2
353.19568	2.1
371.20587	5.9
406.24289	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.243
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	0.7
55.01859	1.1
55.05501	40.6
56.05033	0.8
57.03416	3.1
57.07071	1.3
58.70537	0.6
58.99569	1.3
59.05002	1.8
61.02903	1.1
62.17441	0.5
67.05482	4.6
69.03410	9.7
69.07062	4.5
71.04971	3.2
76.02203	3.5
79.05477	3.4
81.03399	0.8
81.07038	11.9
83.04963	23.4
83.08598	29.9
84.04480	6.9
85.02888	10.6
85.06519	2.7
86.00637	0.9
87.02664	1.3
87.04440	1.0
88.02216	0.7
91.05445	3.6
93.07018	8.8
95.04940	7.2
95.08585	6.3
97.02881	4.3
97.06509	6.4
97.10138	5.9
98.09680	2.7
98.97566	0.6
99.04432	2.4
99.08076	1.0
105.07014	6.0
107.04908	4.4
107.08575	17.4
109.02893	1.3
109.06493	6.5
109.10131	16.1
111.08057	8.2
113.04214	2.5
113.09621	2.0
115.03931	1.1
116.01636	4.8
117.06982	0.9
119.08547	4.7
121.06482	1.1
121.10115	15.5
123.08072	2.2
123.11684	6.4
125.09598	8.2
127.03856	0.9
130.05026	0.7
130.06792	0.6
131.05023	0.7
131.08524	5.1
133.04984	1.1
133.10104	10.7
135.08031	4.6
135.11700	1.1
137.09605	0.9
139.11174	0.6
144.01134	2.0
145.05002	0.8
145.06480	0.9
145.10129	3.1
146.06042	0.5
147.11685	4.5
149.05959	0.8
149.09604	0.9
149.13248	5.7
151.11156	36.6
153.09079	3.6
154.02216	0.6
156.08403	3.4
156.10159	3.2
157.06789	1.3
158.10909	0.8
162.02182	3.6
162.03452	0.9
163.07445	0.9
163.11098	0.6
163.14818	3.2
163.99622	0.5
167.06966	1.1
167.14268	45.4
169.47719	0.6
173.13260	5.4
174.09497	0.7
179.04869	0.7
191.10645	2.8
191.14284	5.1
194.06979	0.6
203.07494	9.6
209.15323	100.0
210.15691	0.6
212.07928	0.6
216.06816	0.7
227.12804	3.3
227.16414	3.6
259.11047	14.0
261.09790	0.6
318.35266	0.7
374.12799	0.7
405.14145	0.9
406.15057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.5
55.01863	4.3
55.05500	2.1
57.03416	5.3
57.07063	6.5
61.02897	5.5
61.18208	0.9
65.03923	1.1
67.05492	20.9
69.03419	9.7
69.03735	1.4
69.07042	4.4
70.23470	0.8
71.04974	19.8
74.57097	0.9
79.05473	22.9
81.03400	5.4
81.07038	3.7
83.01337	1.0
83.04955	6.0
85.02888	33.4
85.06525	99.7
91.03960	1.3
91.05448	14.6
93.07025	20.5
95.04948	5.1
95.08578	1.7
97.02873	8.2
97.06487	4.0
99.08075	4.6
105.07005	20.0
105.34366	0.9
107.04932	10.5
107.08570	31.8
109.02834	3.6
109.06480	4.3
111.04430	13.9
117.06982	5.7
119.08559	22.4
121.06476	14.0
121.10101	24.3
123.04366	2.3
123.08035	1.9
125.05952	5.6
127.03866	4.5
129.06946	7.9
131.08540	85.2
133.10103	7.4
135.08063	2.0
135.11664	5.3
137.05934	1.2
137.09590	10.6
139.07541	1.4
143.07063	1.1
145.04929	1.0
145.10097	35.1
147.08032	6.1
147.11655	1.6
149.06000	1.4
149.09596	78.2
153.05434	2.2
155.06964	1.7
163.07455	4.2
163.11150	25.1
165.09070	14.4
165.61487	1.0
167.06943	1.1
167.10646	39.6
173.09573	7.8
173.13254	1.2
174.76443	0.9
191.10632	55.6
191.14258	1.8
197.11693	1.6
209.11690	60.1
210.41281	1.0
227.12732	100.0
236.97182	1.0
359.42880	0.9
396.02768	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79114	1.2
53.03912	1.3
54.71124	1.5
55.01856	2.7
55.05498	2.4
56.52039	1.1
56.96555	11.0
57.03417	3.3
59.70185	1.1
67.05472	5.3
68.99757	1.5
69.03056	1.2
69.03410	6.0
69.07061	10.3
70.03725	1.2
71.04975	14.3
79.01815	6.3
79.05479	19.2
81.03388	1.8
81.07040	10.8
83.04964	6.6
85.02875	14.7
85.06521	2.9
91.05460	14.6
93.07024	26.4
95.04949	9.3
95.08578	14.2
97.02888	5.2
97.06496	2.6
99.04433	2.2
105.07026	25.5
107.04910	8.0
107.08579	86.1
109.02853	1.3
109.06514	6.8
109.10117	5.6
111.00735	1.6
111.04467	1.8
111.08049	6.4
115.05498	1.3
117.06989	6.6
119.08576	13.4
121.06496	30.9
121.10120	27.9
123.04428	22.0
123.08040	18.0
123.11605	1.5
124.04771	1.9
125.02366	2.0
125.05956	5.6
125.09554	1.5
127.03902	15.5
130.07684	1.7
131.08548	91.1
133.10107	12.9
135.04384	7.3
135.08037	52.0
135.11668	2.4
139.03883	10.7
139.07510	35.8
141.29626	1.4
143.03381	3.2
143.08519	1.9
145.06438	5.2
145.10112	25.1
147.04327	4.5
147.08031	6.3
147.11656	8.4
149.05966	5.1
149.08521	2.6
149.09601	40.1
149.13210	2.5
153.01817	50.0
153.02899	3.4
153.05386	2.7
154.02119	2.4
158.10875	2.6
163.07507	63.5
163.11101	15.2
163.14819	9.6
165.09119	2.9
167.07005	100.0
167.10692	2.7
173.13223	18.5
175.14796	1.8
179.00133	6.7
182.99713	2.3
191.00111	1.4
191.07008	13.9
191.10638	23.3
191.14264	16.2
197.01213	13.8
198.01619	1.9
201.00612	6.2
209.01187	5.6
209.08253	19.3
209.11687	84.2
209.14986	10.5
215.02156	2.3
221.01131	2.5
227.02170	5.3
227.09097	62.8
227.12575	2.3
227.16350	9.2
237.00545	10.6
239.02258	2.7
244.99524	3.1
255.01700	12.5
257.04343	5.9
263.00717	8.5
273.07458	6.3
386.58701	1.5
391.08289	2.7
418.12674	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	1.0
55.05497	1.2
57.03421	1.1
65.48644	0.4
67.05485	2.3
69.03413	2.2
69.07059	6.8
71.04970	10.2
73.94051	0.5
79.05474	13.5
81.07031	2.6
83.04958	2.9
85.02890	3.3
91.05453	8.1
93.07018	16.0
95.04955	2.3
97.06532	2.1
105.07012	12.5
107.04922	5.4
107.08571	25.9
109.06499	1.1
117.07011	2.9
119.08571	4.1
121.06480	18.1
121.10111	15.4
123.08047	0.7
125.05978	2.2
129.06990	1.2
130.07706	0.7
131.08539	98.2
135.04398	0.6
135.08047	1.0
135.11647	2.2
137.06010	0.9
141.05420	1.2
145.06407	0.6
145.10095	25.1
145.11223	1.1
147.08073	2.1
147.11655	0.9
149.05949	3.0
149.09592	45.5
151.07529	1.0
153.05449	5.7
153.52878	0.6
155.07028	0.7
163.11130	15.6
165.09109	2.3
167.07011	2.4
167.10634	1.9
173.09612	2.7
173.13203	0.6
191.10625	25.1
191.12383	0.9
209.11685	100.0
210.11899	1.0
220.04852	0.5
259.11212	0.9
304.47113	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
50.97638	0.2
51.44246	0.2
55.05496	0.4
57.50895	0.2
65.09452	0.2
67.05498	0.3
67.55599	0.2
68.10952	0.2
69.03397	0.3
69.07053	0.5
70.80983	0.2
71.04943	0.4
71.50755	0.2
79.05471	0.4
80.43748	0.2
81.07018	1.1
83.04964	0.4
83.87108	0.2
85.02868	1.2
89.57925	0.2
91.05441	2.2
93.07029	1.6
95.04927	0.3
95.08567	0.6
96.73486	0.2
97.06508	0.3
99.04453	0.4
101.05969	0.2
105.07026	1.7
107.04932	1.1
107.08582	3.5
109.06498	0.5
109.10143	1.1
111.04507	0.2
115.05388	0.4
117.06978	1.5
119.04888	0.5
119.08524	1.3
121.06478	3.4
121.10103	2.4
123.04436	0.4
123.08034	2.5
127.25108	0.2
127.83948	0.2
131.04936	0.6
133.02817	1.1
133.06461	1.3
133.10107	1.7
134.07275	0.3
135.04449	0.3
135.08037	3.3
135.11682	0.9
136.05159	0.9
137.05960	0.5
137.09541	0.2
138.06696	0.6
139.07468	0.3
145.06480	0.6
146.07202	1.8
147.04379	3.6
147.08063	2.4
147.11620	0.4
148.05156	0.4
149.05991	1.8
149.09567	1.6
149.13246	0.5
151.07498	5.8
151.11186	1.3
152.08247	0.4
153.05420	3.9
154.06192	1.0
161.05928	1.3
162.06721	4.4
163.06235	0.3
163.07507	6.3
163.14769	0.4
165.05426	4.0
166.06201	6.4
168.07770	9.8
169.08583	0.5
173.13182	1.0
177.09091	4.8
178.09846	20.2
179.06976	9.2
179.10551	0.4
179.14197	0.5
181.08546	27.2
191.14255	1.9
194.09348	23.8
209.11688	100.0
209.15222	3.1
210.12006	0.4
211.06424	0.3
211.08545	0.3
227.16362	4.2
261.35602	0.3
263.61591	0.3
275.72391	0.3
313.97705	0.3
431.49753	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.62173	0.5
53.00303	0.7
53.03941	0.6
55.01865	8.8
56.96544	1.2
57.03430	16.5
58.13489	0.6
58.99578	0.7
61.02915	19.4
63.99209	0.6
67.05461	0.6
69.03413	29.5
71.01331	4.5
71.04985	1.5
73.02899	100.0
73.33241	0.7
76.02219	1.4
76.56389	0.7
79.05492	1.1
79.25765	0.7
81.03392	5.3
81.07020	3.4
84.04474	4.0
85.02888	62.8
87.04436	4.3
91.03930	3.6
91.05432	1.1
92.08720	0.7
95.04948	1.0
96.21006	0.6
97.02261	1.4
97.02869	39.0
99.04436	4.0
102.34843	0.7
103.03909	1.8
105.06994	1.3
107.04935	1.3
107.08560	1.4
109.02853	4.6
111.08054	0.7
115.03149	1.1
115.03911	15.2
116.01650	3.0
119.08571	0.8
121.06484	1.2
121.10074	1.1
123.04411	2.6
123.07961	0.8
127.03876	16.2
131.08545	3.2
132.06549	1.0
133.04939	15.2
133.10107	1.2
135.04417	1.6
139.03860	1.1
144.01082	0.9
145.04930	21.5
145.10118	1.0
149.09615	1.5
150.07541	0.9
153.05363	0.8
156.08394	1.5
156.10091	0.7
162.02223	0.8
163.03860	3.8
163.06007	6.9
163.07280	1.1
163.11084	0.8
164.04204	1.0
165.04428	1.1
167.06938	1.1
180.08679	2.3
191.06960	0.9
191.10677	1.3
209.08112	1.3
209.11664	3.5
223.06027	1.7
229.99086	0.7
237.02597	1.0
239.02510	0.8
241.07053	3.1
259.08038	5.2
259.11041	5.8
277.09103	1.3
295.10010	1.3
406.16156	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	406.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58382	0.6
53.03931	1.0
54.64230	0.6
55.01857	3.3
55.05499	3.1
56.96560	7.6
57.03427	1.3
62.08084	0.6
67.05489	4.3
69.03407	5.2
69.07032	5.1
70.06590	0.9
71.04955	5.0
78.65942	0.8
79.01849	1.6
79.05471	9.5
80.94290	0.7
81.03423	1.5
81.07042	5.3
83.04964	3.0
85.02890	13.2
85.06525	1.0
91.05453	9.1
93.07017	13.2
95.04937	3.7
95.08584	9.5
97.02849	4.2
97.06528	1.0
99.04430	3.9
105.07011	15.0
107.04929	1.6
107.08582	54.4
109.02837	1.0
109.06495	5.9
109.10135	5.9
111.04424	3.3
111.08073	7.1
117.07005	3.4
119.08545	9.5
121.02856	0.9
121.06483	12.3
121.10112	12.9
121.30894	0.7
123.04387	9.3
123.08032	14.6
123.11675	1.0
125.02312	1.3
125.05966	1.5
125.09672	1.2
127.03883	6.1
129.06963	0.8
130.07712	1.1
131.07666	1.4
131.08537	30.2
133.10104	11.1
135.04408	3.5
135.08028	52.0
135.11639	3.0
137.02153	0.9
137.09552	1.4
139.03896	4.3
139.07518	35.4
143.03319	2.6
145.05014	0.9
145.06407	1.3
145.10100	10.7
147.04369	2.8
147.08006	5.6
147.11671	6.0
149.05986	7.2
149.09604	9.1
149.13249	1.2
151.03960	0.9
151.11171	1.2
153.01817	19.5
153.02992	1.6
153.05363	0.9
158.10875	1.3
161.15625	0.8
163.03850	1.1
163.07509	63.7
163.11154	5.4
163.14780	5.6
167.06999	100.0
173.09734	0.9
173.13217	8.6
174.39038	0.7
175.14810	3.5
179.00204	3.1
184.00316	1.1
185.08002	1.1
191.07011	15.0
191.10626	8.0
191.14293	8.8
197.01184	7.4
201.00653	1.4
205.56638	0.7
206.00903	0.8
209.01181	3.1
209.08096	16.7
209.11678	25.1
209.15259	11.5
221.01151	1.7
226.98560	1.0
227.09097	73.2
227.12675	2.0
227.16348	5.8
237.00648	6.0
242.02962	0.8
244.99677	2.6
245.04263	0.8
247.06076	0.9
255.01717	3.5
263.00745	3.8
273.07516	2.8
295.33435	0.8
344.32343	0.8
345.02603	0.8
391.07858	0.8
405.97101	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.2633
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05518	2.4
57.07066	23.5
58.52112	2.2
63.52513	2.0
63.97987	1.9
67.05489	12.6
67.92096	2.0
69.07059	27.0
71.04961	5.3
71.08616	16.6
81.07039	3.1
83.08611	2.7
95.08588	3.3
98.85427	2.2
107.08588	2.2
109.10138	56.6
120.10483	2.6
121.02869	5.3
121.06436	2.2
122.81547	2.2
126.98993	2.2
127.10291	3.9
127.11174	69.6
132.79791	2.1
149.02333	100.0
149.03470	4.7
160.48679	2.5
300.62375	2.7
405.33582	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	406.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.6
55.01844	1.8
55.05502	37.2
57.03406	1.3
57.07045	0.6
59.04968	1.7
61.02893	1.5
67.05489	3.8
68.99745	0.3
69.03409	5.4
69.07050	3.2
71.04978	2.3
73.02876	0.3
79.05447	1.9
81.03378	1.7
81.07036	5.9
83.00839	0.3
83.04459	0.4
83.04958	16.0
83.08596	29.0
85.02885	7.6
85.06532	2.7
87.04455	0.3
91.03899	0.3
91.05454	4.1
92.09349	0.5
93.06476	0.4
93.07018	6.3
95.04929	1.3
95.08576	5.5
97.02866	2.2
97.06502	4.7
97.10139	6.9
99.04427	2.0
99.08042	0.4
101.05984	0.4
105.07035	3.5
107.08571	15.5
109.02829	0.5
109.06500	3.0
109.10137	15.9
111.08048	7.5
112.08848	0.4
113.09586	0.6
119.08546	1.9
121.06427	0.3
121.10111	9.1
123.08016	0.4
123.11667	6.9
125.09602	7.3
127.03880	1.2
128.06229	0.5
129.06961	1.1
131.08505	2.4
133.10088	6.0
135.08025	1.7
135.08968	0.3
135.11641	1.4
137.05948	0.3
139.03874	0.3
139.11118	1.2
141.95729	0.3
143.08495	0.4
145.04846	0.3
145.10078	0.5
147.11693	2.4
149.09668	0.9
149.13213	8.0
151.11150	37.2
152.06105	0.4
153.06975	2.7
153.09064	0.7
157.06450	12.1
158.10811	0.5
161.13168	0.6
161.51715	0.3
163.03889	0.5
163.14784	1.1
165.06912	0.4
165.12703	1.3
167.14268	44.7
169.06435	0.4
171.08009	2.3
173.13274	2.4
179.08522	0.3
179.14268	1.2
181.06433	23.2
181.12149	0.3
191.14264	6.5
197.15335	0.5
198.06862	0.4
199.07504	13.2
209.05945	14.7
209.15323	100.0
210.06654	0.5
213.05363	0.4
222.33978	0.3
227.06978	94.6
227.16319	3.1
228.07352	0.6
237.05415	1.9
251.07220	0.4
279.75336	0.3
327.39294	0.3
335.45178	0.3
365.24408	0.3
369.94916	0.4
381.85699	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1753
Annotation	6-Deoxylamioside
Peak:m/z	Relative Intensity
52.09254	1.3
53.03924	3.5
54.78827	1.3
55.01859	6.2
55.05495	8.9
55.74903	1.2
56.96544	1.8
57.03422	3.1
61.02904	1.9
65.03948	1.5
67.05491	19.0
69.03418	12.8
71.04972	7.2
79.05487	11.2
79.71449	1.3
81.03400	39.2
81.07058	2.7
83.04971	43.0
85.02898	28.8
89.03886	1.9
91.05466	48.5
93.07014	11.5
95.04939	11.4
95.08567	3.1
97.02868	12.6
97.06504	3.6
98.97585	1.7
99.04416	3.6
105.07019	42.0
107.04955	7.3
107.08590	2.6
109.02871	5.6
109.06476	5.9
115.05424	2.5
116.98617	1.5
117.03355	1.9
117.06995	22.4
119.07713	3.2
119.08562	79.1
121.06474	13.6
121.10143	2.3
123.04391	6.2
123.11612	1.6
125.05994	6.4
127.03905	2.5
128.06232	14.0
129.06990	57.1
131.08525	3.5
133.06450	2.4
133.10126	12.5
135.04404	3.5
135.08046	3.6
136.04730	3.2
137.05942	3.3
137.09564	2.6
141.05461	6.7
143.08560	44.0
145.06493	8.8
146.03233	3.0
147.08037	100.0
149.05959	3.1
149.09569	7.3
151.07562	1.9
153.06949	11.6
155.07104	1.8
161.09586	33.5
163.03879	18.2
163.07471	11.1
164.04205	20.3
165.05447	2.4
165.09053	12.9
167.07030	15.2
168.07265	1.7
169.04970	2.4
171.08018	8.2
177.05368	2.0
177.09087	7.5
178.09435	7.1
179.06972	1.7
179.10686	2.8
180.07422	2.8
189.09076	44.3
190.09508	3.7
207.10132	94.5
208.10489	2.4
225.11192	17.4
227.09193	2.1
237.02673	2.1
361.14600	2.6
405.13300	5.7
405.17316	7.1
421.13702	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	405.1753
Annotation	Unknow
Peak:m/z	Relative Intensity
52.09254	1.3
53.03924	3.5
54.78827	1.3
55.01859	6.2
55.05495	8.9
55.74903	1.2
56.96544	1.8
57.03422	3.1
61.02904	1.9
65.03948	1.5
67.05491	19.0
69.03418	12.8
71.04972	7.2
79.05487	11.2
79.71449	1.3
81.03400	39.2
81.07058	2.7
83.04971	43.0
85.02898	28.8
89.03886	1.9
91.05466	48.5
93.07014	11.5
95.04939	11.4
95.08567	3.1
97.02868	12.6
97.06504	3.6
98.97585	1.7
99.04416	3.6
105.07019	42.0
107.04955	7.3
107.08590	2.6
109.02871	5.6
109.06476	5.9
115.05424	2.5
116.98617	1.5
117.03355	1.9
117.06995	22.4
119.07713	3.2
119.08562	79.1
121.06474	13.6
121.10143	2.3
123.04391	6.2
123.11612	1.6
125.05994	6.4
127.03905	2.5
128.06232	14.0
129.06990	57.1
131.08525	3.5
133.06450	2.4
133.10126	12.5
135.04404	3.5
135.08046	3.6
136.04730	3.2
137.05942	3.3
137.09564	2.6
141.05461	6.7
143.08560	44.0
145.06493	8.8
146.03233	3.0
147.08037	100.0
149.05959	3.1
149.09569	7.3
151.07562	1.9
153.06949	11.6
155.07104	1.8
161.09586	33.5
163.03879	18.2
163.07471	11.1
164.04205	20.3
165.05447	2.4
165.09053	12.9
167.07030	15.2
168.07265	1.7
169.04970	2.4
171.08018	8.2
177.05368	2.0
177.09087	7.5
178.09435	7.1
179.06972	1.7
179.10686	2.8
180.07422	2.8
189.09076	44.3
190.09508	3.7
207.10132	94.5
208.10489	2.4
225.11192	17.4
227.09193	2.1
237.02673	2.1
361.14600	2.6
405.13300	5.7
405.17316	7.1
421.13702	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	405.1541
Annotation	Koaburanin
Peak:m/z	Relative Intensity
53.03935	4.0
55.01863	5.2
55.05498	5.8
57.03431	10.2
57.07084	1.1
59.60331	1.0
61.02916	9.0
64.24072	1.0
67.05497	5.1
69.03414	16.3
69.07050	4.6
71.04980	7.9
73.02888	4.8
79.05477	7.2
81.03402	8.8
81.07042	10.9
83.01308	2.2
83.04951	4.4
85.02889	60.0
85.06536	5.1
86.03219	1.1
87.04430	1.2
91.03936	1.4
91.05464	42.4
92.05774	1.1
93.07022	13.8
94.07355	1.3
95.04947	8.9
95.08563	8.7
97.02874	15.4
97.06517	4.5
98.67269	1.0
99.04434	6.8
99.08133	1.0
103.05450	2.1
105.06987	12.6
106.07364	1.4
107.04937	30.2
107.08575	10.3
109.02868	4.6
109.06487	4.6
109.10134	6.7
117.06924	1.5
118.70065	1.0
119.04905	33.3
119.08553	8.4
120.05722	10.0
120.08907	1.8
121.02827	4.1
121.06481	72.6
121.10120	10.1
123.04400	11.5
123.08070	2.3
123.11713	1.2
124.05182	1.5
125.05957	2.4
125.09611	1.3
127.03868	5.1
129.06914	1.2
131.04901	7.3
131.08534	2.1
133.06459	1.6
133.10097	4.6
135.04417	2.0
135.11661	4.6
137.05948	4.4
137.09593	4.4
137.44597	1.1
139.03867	7.5
141.06982	1.3
145.04921	4.2
145.06474	5.0
145.10146	6.5
146.10414	2.2
147.04395	1.7
147.08078	1.6
147.11673	6.2
148.12047	2.0
149.05965	70.3
149.09587	1.5
150.06741	4.0
151.11169	4.8
159.11577	1.6
161.05922	1.3
161.13226	1.2
162.13560	1.2
163.11111	3.8
165.09058	1.1
165.12793	4.2
166.13049	1.6
167.06998	1.1
167.08517	1.8
174.06720	1.0
175.07545	1.5
177.05426	1.5
177.12691	4.4
178.07793	1.4
178.13042	1.4
179.08543	6.8
182.07289	6.8
183.08160	1.3
183.10135	5.2
187.07556	1.3
189.12775	2.0
195.13795	1.4
197.09596	5.7
206.16116	2.1
207.07964	1.7
207.13736	9.8
208.14038	3.2
210.06688	7.1
219.10086	1.9
225.09052	5.1
227.06953	1.5
227.10616	1.8
228.07784	5.1
239.10738	1.3
242.09216	1.5
243.10115	100.0
253.08493	4.7
255.10016	10.1
267.09955	5.1
279.10080	1.4
333.24115	2.4
351.25195	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1539
Annotation	3,5-Dihydroxy-4'-methoxystilbene 3-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
51.06101	0.5
53.03943	0.6
55.01858	0.7
55.05512	0.7
59.62983	0.5
61.02917	1.3
67.05485	0.8
69.03423	3.1
69.07092	0.7
71.04980	0.8
80.78342	0.5
81.03419	1.2
81.07044	1.1
83.01333	2.5
84.72272	0.6
85.02888	11.9
91.05466	29.9
93.07029	3.5
95.04939	4.6
97.02875	3.6
98.76935	0.5
98.89832	0.5
103.05466	1.2
105.07018	2.4
107.04945	20.8
107.08584	2.1
109.02872	0.8
109.06473	0.8
109.10129	1.0
111.04372	0.5
119.04922	33.3
119.08576	1.0
120.05705	9.7
121.02835	2.9
121.06486	69.0
121.10171	2.6
123.04420	8.0
124.05179	1.2
125.06001	2.8
127.03906	1.3
131.04892	2.3
133.06421	0.9
133.10080	0.9
135.04388	4.1
135.07922	0.6
137.05975	2.3
137.09615	0.9
139.06345	0.5
141.06911	0.9
144.14236	0.6
145.04916	0.7
145.06569	1.0
149.05962	66.2
150.06755	4.2
159.11690	0.7
163.03860	0.9
163.61853	0.6
174.46750	0.6
178.07793	0.8
179.08514	8.2
181.06398	0.9
182.07248	5.8
184.09694	1.3
197.09590	5.4
207.08002	0.7
207.13773	0.8
210.06699	6.6
215.10631	1.1
225.09030	6.4
228.07787	5.5
243.10118	100.0
255.10175	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	405.1359
Annotation	Unknow
Peak:m/z	Relative Intensity
58.49645	1.4
58.49953	1.1
61.51932	1.1
62.28526	1.0
67.05477	1.5
69.03400	1.7
69.84228	1.5
74.00959	1.5
85.02844	5.7
86.09661	1.6
87.04405	1.3
89.03893	3.6
91.05423	2.1
97.02833	2.5
97.06437	2.0
105.07001	2.0
107.04898	2.8
109.02815	1.7
117.03302	6.8
118.03646	2.8
119.08513	1.5
121.10058	1.9
131.04832	2.3
135.04361	14.6
136.04660	8.6
137.05907	1.8
141.05394	2.2
143.08476	1.3
145.02719	6.7
146.03099	6.8
147.04301	1.7
147.07916	2.2
157.08327	12.8
161.05861	3.0
163.03868	50.1
164.04208	35.1
169.04826	3.2
185.07742	8.1
232.74025	1.3
301.12454	1.7
314.24191	1.3
319.13535	32.2
361.14590	72.1
387.15787	1.8
405.13239	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.78846	0.1
53.03930	0.1
55.01854	0.2
55.05490	0.7
57.03419	0.7
59.04984	0.2
61.02904	0.7
67.05482	1.4
69.03411	1.3
69.07059	0.6
69.45130	0.1
71.04969	1.0
72.90170	0.1
73.02905	0.2
74.44278	0.1
79.05469	1.1
81.03380	0.7
81.07038	1.1
83.04969	2.3
83.08591	0.2
85.02047	0.1
85.02890	5.3
85.06466	0.2
87.04480	0.2
91.05449	0.9
93.07003	1.5
95.04951	1.0
95.08588	3.1
97.02881	1.4
97.06516	1.9
99.04424	2.0
99.08074	0.7
105.07024	1.2
107.04934	0.3
107.08595	1.7
109.02876	0.2
109.06493	2.1
109.10157	0.8
111.04426	0.8
111.08069	0.2
119.08559	1.8
121.06479	0.9
121.10115	4.8
123.08045	100.0
124.08389	0.3
125.06002	0.6
125.09563	0.2
127.03915	0.2
131.08553	0.2
133.10126	0.8
135.04402	0.4
135.11665	1.1
137.09569	1.1
139.07536	0.2
142.75719	0.2
145.04962	0.2
145.10133	0.9
147.04388	4.9
147.08084	0.3
147.11674	1.4
149.09587	2.2
151.07556	0.3
151.11147	2.0
161.09607	0.2
161.13243	0.6
163.03888	1.1
163.11151	1.5
165.05447	3.6
165.12701	0.6
167.10658	1.9
171.11699	0.2
173.21669	0.2
181.12198	6.5
189.12695	1.1
207.13759	3.4
223.88245	0.2
225.07596	0.2
225.11356	0.5
225.14810	10.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24019	1.1
55.05504	6.8
57.03434	15.1
59.04992	1.3
67.05477	2.4
69.03413	2.8
71.04977	78.4
75.04465	4.9
81.07030	7.7
83.04968	21.1
83.08598	1.3
83.55028	1.3
85.02890	100.0
91.05451	3.3
93.07022	24.6
95.08595	10.7
97.06509	1.8
99.08057	2.3
105.06988	3.2
107.08569	13.9
107.09216	1.2
109.06490	9.0
109.10136	2.4
111.04434	23.6
111.08037	9.8
117.07060	1.3
119.08575	9.0
121.06467	6.3
121.10104	10.5
123.08018	2.4
123.11668	1.7
129.05450	21.3
133.10085	7.4
135.08032	7.2
135.11667	27.4
137.09595	66.4
139.07445	5.1
147.06490	7.1
147.11655	2.1
149.06023	2.4
149.09621	2.1
149.13210	9.8
153.05391	2.7
159.11632	13.0
161.13228	1.4
163.11134	6.6
164.09171	5.0
165.12718	20.0
170.19740	1.5
177.12712	64.5
181.08556	8.4
189.12694	3.4
195.13789	69.3
205.12282	2.4
207.13824	9.0
223.13246	47.3
241.14293	22.8
386.55075	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.7
55.05499	1.8
57.03426	0.9
57.07067	3.0
61.02909	1.1
63.19817	0.4
67.05493	4.6
69.03413	3.5
69.07040	0.8
71.04980	0.7
79.05470	2.5
81.03400	1.0
81.07036	22.1
83.04963	1.1
83.08643	0.7
85.02888	100.0
85.06491	0.4
87.04438	0.5
91.05462	5.7
93.07037	3.9
95.04922	0.4
95.08592	6.5
97.02837	3.1
99.08128	0.5
105.07012	9.7
107.08575	5.1
109.06511	2.6
109.10136	11.4
111.04461	0.5
111.08094	0.4
115.97256	0.5
117.07015	0.8
119.04910	5.1
119.08562	12.8
121.06532	0.5
121.10115	10.0
123.08030	3.1
123.11681	94.4
125.05969	7.3
125.09584	0.8
131.08542	2.5
133.06468	1.8
133.10066	0.7
133.71851	0.5
137.09544	0.6
141.05424	0.6
143.08505	0.5
145.10077	5.8
147.04353	4.5
147.08040	3.0
147.11670	13.0
149.09586	8.4
151.07518	4.4
153.43726	0.4
156.09332	2.4
161.09624	0.6
161.13234	1.7
163.11125	0.9
165.12701	2.5
169.08546	0.6
171.11731	0.6
174.10294	0.7
175.03885	9.0
179.14188	0.7
189.12704	15.2
192.04182	3.0
202.46870	0.5
203.39192	0.5
205.01926	0.5
207.06493	14.0
207.13770	39.1
225.07478	4.3
225.14830	13.1
289.05466	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19661	0.5
55.01851	0.9
55.05484	2.8
57.03409	1.3
58.08144	0.6
59.04991	2.9
67.05476	3.3
69.03403	3.5
69.07038	1.2
71.04952	0.7
73.50733	0.7
79.05461	3.4
81.03411	1.2
81.07030	5.1
83.04961	0.8
83.08572	0.7
85.02885	23.2
91.05464	8.9
92.09287	1.1
93.07045	5.5
94.63638	0.7
95.04924	2.8
95.08559	4.5
97.02868	2.8
97.06476	0.9
98.97537	0.7
101.05933	0.8
101.23704	0.6
105.07008	20.8
107.04886	0.6
107.08567	16.8
109.06496	9.3
109.10141	7.3
117.06966	2.7
119.08556	28.3
121.06493	1.5
121.10099	5.6
122.07227	1.0
123.08050	10.3
123.11687	9.7
125.05959	1.0
129.06989	1.0
130.07753	3.0
131.08554	5.9
133.06465	12.2
133.10109	4.5
135.08014	4.1
135.11646	4.0
137.09593	36.2
143.08505	1.4
145.04892	1.0
145.10110	23.9
147.08020	3.9
147.11658	39.1
149.02258	0.7
149.09567	3.3
151.07487	1.4
153.09033	2.9
156.09294	7.3
159.08025	3.0
159.11621	0.8
160.08813	1.1
161.09552	0.8
161.13222	5.3
163.21039	0.8
165.12701	0.8
171.11646	5.3
174.10405	3.5
185.85083	0.7
189.12708	100.0
207.06422	0.7
207.13774	16.4
210.36217	0.8
224.16402	3.0
224.45909	0.8
225.14877	4.7
238.92183	0.7
242.17377	0.7
408.98758	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1738
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	21.4
64.46949	1.0
67.05483	1.1
69.07040	1.0
71.10297	0.9
71.95263	1.6
79.05422	1.1
80.24162	0.9
81.07020	1.4
82.90118	1.0
83.21477	0.9
85.02870	1.5
88.93355	1.2
89.91508	1.0
91.05434	1.2
93.06999	1.5
94.04161	1.1
98.97557	97.0
107.04920	1.6
116.98592	89.6
122.03642	4.1
133.42253	1.0
134.93369	1.0
134.99632	52.8
135.92021	1.1
137.05948	59.8
151.31894	1.2
153.00687	9.8
163.03783	1.5
168.82643	1.1
197.01167	4.4
220.00336	1.3
224.09425	1.9
226.11111	22.8
235.02716	41.1
238.01447	2.1
244.12157	16.5
252.26863	1.0
253.03770	100.0
255.09035	1.4
256.02295	1.3
268.12170	1.4
271.04843	5.1
276.05405	4.7
285.10120	1.5
344.15332	5.3
363.14853	1.3
372.32980	1.2
381.15872	1.4
404.17368	70.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	404.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.5
55.01859	1.1
55.03056	0.2
55.05496	1.5
57.03422	1.4
57.07069	2.4
59.04984	0.4
61.02923	2.7
62.73760	0.2
65.03919	0.5
67.05488	4.0
69.03411	4.6
69.07046	0.6
71.04974	1.5
73.02893	0.5
77.03886	0.4
79.05459	3.4
81.03407	1.8
81.07034	22.1
83.04942	1.4
83.08587	0.6
85.02885	100.0
85.06528	0.5
87.04431	0.6
91.05458	20.8
91.57887	0.3
93.07014	3.5
93.16678	0.3
95.04938	1.8
95.08584	5.9
97.02868	3.9
99.04404	0.5
103.05453	1.1
105.03358	0.4
105.07008	10.5
107.08565	6.2
109.02875	1.3
109.06485	4.2
109.10135	13.0
111.04428	0.6
117.03342	0.3
117.06999	1.7
118.04138	1.1
119.04916	30.6
119.08550	12.9
121.06464	1.1
121.10114	10.3
123.04407	0.5
123.08066	2.7
123.11678	87.1
125.05955	7.1
125.09592	1.5
127.03894	1.8
130.07735	1.1
131.08522	2.5
132.02037	1.5
133.06482	1.7
133.10109	0.6
135.04413	0.5
137.06004	0.4
137.09573	0.6
139.07518	0.4
141.05411	1.2
143.08553	1.2
145.02798	1.1
145.04922	1.4
145.06485	0.5
145.10094	5.7
146.03613	0.6
146.10863	0.5
147.04379	29.3
147.08026	4.4
147.11656	16.4
149.02266	2.0
149.09596	6.9
151.07495	3.0
153.05449	0.6
156.09306	2.4
157.03957	2.7
159.08038	0.3
161.09593	0.5
161.13229	1.1
163.03795	0.6
164.04625	2.3
165.12720	1.8
169.08511	1.1
171.11665	1.6
174.02829	0.3
174.10379	1.7
175.03860	46.3
177.01807	1.1
179.06973	3.4
179.14293	0.5
180.08656	0.4
189.12700	14.1
192.04124	16.5
207.06485	82.2
207.13757	39.9
225.07516	23.0
225.11057	0.5
225.14801	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	404.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03916	0.9
55.01862	1.0
55.05523	0.6
56.96574	0.7
57.03429	1.4
59.04963	0.6
61.02896	4.0
65.03916	0.8
69.03418	10.6
69.07077	0.7
71.04963	1.1
72.08135	1.6
73.02901	1.5
81.03384	5.3
82.06537	1.2
82.45897	0.6
85.02889	27.8
86.09679	1.5
87.04453	1.3
89.03889	3.8
89.82899	0.6
90.65839	0.7
91.03944	2.5
91.05456	21.2
92.08698	1.3
93.07043	0.9
95.04916	3.0
97.02859	9.1
98.97546	0.8
99.04420	1.8
103.05424	1.6
107.04932	4.9
109.02832	2.9
117.03380	7.5
118.04133	1.3
119.04918	39.9
119.08609	0.9
121.02799	1.2
121.06476	3.9
121.10082	0.8
123.04377	1.5
124.02168	0.7
127.03907	5.9
129.06992	0.7
131.04932	0.7
132.02020	1.0
135.04387	14.1
137.05934	1.6
143.03433	0.7
143.08563	1.0
145.02806	10.4
145.04922	3.5
147.04385	38.7
149.02296	1.3
157.03961	4.2
161.05923	0.8
163.03870	52.7
164.04669	1.6
167.07021	6.0
172.46719	0.7
174.03149	1.1
175.03868	56.4
179.06982	3.8
180.08646	4.3
189.09032	1.3
192.04131	21.2
193.04858	1.6
207.06497	100.0
225.07538	35.4
405.14993	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1957
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	3.7
55.01859	2.7
55.05503	13.0
57.03432	7.8
59.04984	10.1
61.02896	1.9
61.25209	1.6
63.32120	1.5
67.05491	12.5
69.03404	23.0
69.07050	7.6
70.06577	15.4
71.04961	3.8
71.06914	2.0
72.08145	3.2
73.02876	2.2
79.05466	7.5
81.03390	3.6
81.07030	23.7
83.01273	1.7
83.04948	24.2
83.08611	2.5
85.02894	32.8
86.01073	2.3
86.09679	12.7
87.04458	2.4
91.05440	20.6
92.43972	1.9
93.07015	37.6
95.04960	17.0
95.08588	14.2
96.54460	1.8
97.02875	3.6
98.97537	9.3
99.04398	2.7
99.73747	1.7
103.05473	2.8
105.07010	17.0
107.04926	4.1
107.08569	22.5
109.05811	3.4
109.06494	66.1
109.10143	3.7
111.08057	21.4
112.08817	3.2
113.05983	9.7
116.98599	7.5
119.08538	28.9
121.06477	61.4
121.10098	11.9
123.04383	2.4
123.08028	16.5
123.11723	2.2
125.09575	8.1
127.03876	2.1
131.08543	2.6
133.10107	16.8
135.04385	3.6
135.08018	25.2
135.11690	3.2
137.05902	3.8
137.09599	18.3
139.07518	4.4
143.08591	2.2
143.10634	1.9
144.09351	2.1
145.02794	3.0
145.06461	2.3
145.10081	8.6
146.07292	2.9
147.08008	7.2
147.11681	10.2
149.05931	21.1
149.09584	47.8
151.11134	19.6
153.09035	15.9
159.11639	4.3
160.08809	12.0
161.09610	16.5
163.03870	13.6
163.11115	8.4
165.09070	4.1
167.07007	13.4
175.11125	42.0
177.05450	3.9
177.12733	12.5
179.10577	23.2
182.67224	1.9
187.11124	6.6
193.12186	100.0
193.13950	3.2
205.12236	25.1
223.13283	47.5
223.15369	3.6
241.10451	16.9
247.49609	2.0
258.20459	2.1
300.92459	1.8
370.38889	2.0
403.15222	12.6
403.19974	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	403.1917
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23384	1.5
53.03938	3.9
55.01861	4.1
55.05502	19.0
55.82540	1.4
57.03426	8.7
59.04991	7.6
61.02907	10.2
67.05485	2.8
69.03421	20.6
69.07051	3.5
71.04965	9.6
72.05753	3.0
72.08142	2.0
73.02901	14.6
79.05469	3.6
80.38134	1.6
81.03419	6.7
81.07028	9.3
83.04969	15.1
85.02885	58.1
85.03365	3.3
87.04449	100.0
87.04987	3.6
88.05231	2.2
89.02353	2.0
89.06016	27.8
90.01893	77.2
91.05450	3.1
92.09354	4.2
93.07035	10.6
95.04942	6.6
95.08593	7.9
97.02859	21.1
97.06535	2.3
98.03689	2.4
99.04439	3.2
105.07027	13.5
107.04935	3.4
107.07055	17.1
107.07684	1.7
107.08588	10.9
109.02890	3.1
109.06517	2.7
109.10172	1.9
111.04429	2.1
111.08054	2.6
115.03905	1.7
117.05527	2.9
119.08582	12.5
121.10124	11.7
123.04431	2.6
123.08042	13.9
125.02364	1.6
127.03909	9.1
131.08589	2.9
133.10132	1.9
135.11668	2.2
137.09514	2.4
139.03899	3.3
139.11177	2.6
145.04953	2.9
145.10104	4.0
147.11681	13.5
149.09616	3.5
152.05489	22.3
158.80486	1.7
159.11729	2.3
163.07439	1.8
165.01851	2.8
167.10625	3.0
187.14787	2.4
201.75720	1.8
205.15858	3.6
206.10263	3.9
208.54704	1.7
217.81837	2.1
223.13194	1.7
223.16872	7.9
224.11255	45.7
234.01535	1.6
243.94493	1.8
279.77634	1.7
312.11777	1.7
316.06668	2.0
399.61685	1.7
403.22882	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
50.23545	1.2
52.49226	1.0
61.54373	1.2
67.05500	1.7
71.09773	1.3
71.34407	1.3
79.05479	1.9
80.29950	1.4
81.07018	2.5
91.05448	2.3
92.09285	2.1
95.04959	2.4
105.06998	2.1
106.73447	1.3
107.04936	100.0
109.10148	1.4
121.06492	7.1
137.05974	8.1
137.09578	1.5
147.87030	1.3
151.07516	16.4
152.60236	1.3
161.05940	15.6
182.85567	1.3
194.12082	1.6
197.23688	1.3
243.10132	7.6
247.07448	5.6
250.06107	2.5
265.08536	17.9
295.09573	2.8
296.10168	1.5
297.11163	13.4
328.17200	1.5
403.15320	25.8
403.28030	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	403.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
53.46634	0.7
55.05484	1.0
61.36679	0.5
65.74139	0.6
67.05479	1.1
69.07042	1.1
79.05483	3.4
81.07041	3.8
84.48997	0.6
91.05451	3.6
93.07021	2.9
95.04920	2.5
95.08611	2.7
105.06993	1.2
107.04939	100.0
107.08559	0.9
109.06476	0.8
119.08543	0.9
121.06467	5.6
121.10147	1.0
131.04865	1.0
131.08478	0.8
133.10124	1.1
137.05957	6.9
139.07498	0.8
145.10141	0.9
151.07518	12.7
161.05954	14.1
191.08455	0.9
202.43623	0.7
203.41182	0.6
209.34187	0.7
214.97176	0.8
219.08069	1.4
223.07529	0.9
235.07422	0.9
237.08904	1.0
243.10159	7.6
247.07507	3.8
250.06212	3.9
251.06900	1.2
264.07727	1.0
265.08493	15.3
281.07837	0.9
283.54626	0.9
295.09515	5.7
296.10336	0.8
297.11139	13.2
403.15356	27.6
403.28125	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	402.3937
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14184	0.5
55.05496	0.7
57.07064	13.3
58.06588	2.6
65.17738	0.7
69.07066	0.7
70.06576	26.2
71.08612	3.9
72.08121	1.1
73.31603	0.7
79.05511	0.7
81.07035	1.5
86.09729	0.8
88.07608	31.2
93.07012	0.8
95.08569	1.4
102.09155	19.9
107.17741	0.7
114.36815	1.0
129.01797	3.8
132.10165	1.1
139.30307	0.8
150.11259	0.9
162.75055	0.8
213.07593	0.8
340.35669	60.8
384.38348	5.8
402.39319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2846
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	3.1
55.01863	14.5
55.05505	39.8
55.59652	2.7
57.03432	43.7
57.07072	3.4
59.04983	3.3
63.30458	2.7
65.03888	4.6
67.05490	89.2
69.03419	5.7
69.07050	44.6
70.73745	2.4
71.04970	11.5
79.05476	77.6
81.03407	6.9
81.06590	5.4
81.07035	100.0
83.04951	26.4
83.08598	17.1
85.02898	4.2
85.06542	6.0
91.05453	57.2
93.07025	93.7
95.04948	25.0
95.08591	45.3
97.06509	27.1
97.10143	5.1
99.04390	3.3
99.08048	3.0
105.07011	55.3
107.04951	7.2
107.08564	41.3
109.06499	6.2
109.10140	12.3
110.59088	4.3
111.08035	3.5
117.06979	22.9
119.08551	35.7
119.35446	3.0
120.26732	2.8
121.06509	5.4
121.10143	18.9
123.07984	4.9
129.06981	4.9
131.08508	26.2
133.10115	29.5
135.11684	22.5
143.08545	4.5
145.10100	21.2
145.15907	3.0
147.11684	13.4
149.09584	12.9
149.13255	15.1
155.08447	3.4
155.12709	3.0
159.11679	17.3
161.13252	4.1
163.11162	6.3
171.11595	6.4
173.13177	4.4
177.12701	4.9
199.14709	3.6
255.15862	34.9
257.18771	5.1
259.76614	3.3
269.17413	50.6
275.19980	21.6
349.23593	19.1
367.24457	3.2
389.20093	3.5
402.26822	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	402.2482
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02374	0.2
51.65832	0.1
51.78119	0.1
53.03944	0.2
53.80992	0.1
54.55518	0.1
55.05494	0.1
63.46711	0.1
68.25720	0.1
69.03401	0.2
77.03909	0.3
79.05453	1.0
83.01342	0.2
83.04961	0.1
85.02865	0.5
87.04423	0.2
95.04948	0.7
98.97552	0.2
103.05455	0.8
105.07005	100.0
106.07349	1.6
107.04956	0.6
111.00816	0.1
115.03948	0.3
116.98576	0.2
122.09634	31.5
123.04415	0.8
123.09982	0.3
133.02798	1.6
133.06413	0.2
161.02301	0.5
161.05919	0.3
179.03336	1.8
310.34814	0.2
370.02322	0.1
403.15924	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
55.01858	1.0
55.05505	11.9
57.03423	13.8
61.02906	1.5
67.05497	1.6
69.03423	2.5
69.07056	2.2
71.04977	73.8
71.76243	0.8
73.02892	2.1
75.04450	5.2
79.05467	2.4
81.07037	6.9
83.04964	33.5
85.02891	100.0
85.06535	1.2
87.04428	2.1
91.05468	7.3
93.07020	13.0
94.82099	0.9
95.04936	4.5
95.08569	7.3
97.06519	1.1
98.97602	1.1
99.07984	1.0
105.07015	8.9
107.04993	1.0
107.08593	16.4
109.06526	1.5
109.10137	2.3
111.04396	9.8
119.04934	2.1
119.08576	7.0
121.06496	9.5
121.10146	2.0
123.04396	1.5
123.08040	23.4
124.60683	1.0
125.02354	1.2
125.05977	6.7
129.05450	45.7
131.08554	1.4
133.10110	15.8
135.08031	4.7
135.11697	6.6
136.07205	1.0
137.02371	0.9
137.05959	7.4
137.09621	5.9
147.04413	1.4
147.06487	12.0
147.11690	4.5
149.05969	6.1
149.13214	1.4
151.07523	10.7
153.01875	1.5
154.83260	1.0
157.10117	1.9
159.11662	1.6
161.09608	1.2
164.09152	4.4
165.05463	5.1
167.07027	15.5
175.11156	10.1
175.58943	1.0
177.12856	1.5
179.07022	4.2
179.10638	4.1
191.14345	5.0
193.12302	1.3
203.10674	3.9
204.13841	1.6
205.12395	1.3
221.11687	30.9
222.14862	7.8
223.09679	1.9
240.15915	11.6
268.36670	1.0
297.25650	1.2
402.21616	1.2
424.24585	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.38539	1.9
55.01856	2.2
55.05497	4.8
57.03418	8.6
67.05470	2.9
69.03426	2.1
69.07045	11.7
70.81439	1.7
71.04964	9.1
78.41890	1.9
79.05469	12.5
81.07042	9.5
83.04967	3.6
85.02896	4.8
85.12657	1.9
91.05418	8.6
93.06990	2.6
95.04897	2.4
95.08613	3.7
97.06504	84.5
105.07007	4.8
107.04922	3.8
107.08570	10.3
109.06551	3.3
109.10111	2.3
111.08088	8.0
112.08841	13.6
115.93265	2.4
117.06980	2.8
119.08575	20.4
121.06489	3.6
121.10054	2.4
123.04367	13.8
123.08026	2.4
124.07422	1.9
127.03929	2.4
129.07036	2.6
131.04901	9.2
131.08577	3.3
133.06445	2.5
133.10088	2.6
134.03613	2.1
135.04395	3.1
135.08012	5.0
139.03976	2.0
143.08566	2.6
145.06470	15.7
145.10197	2.9
147.04398	9.0
147.08052	3.7
149.02350	2.3
149.05847	2.8
153.01817	10.4
154.02109	8.2
159.04314	3.3
159.11594	4.2
160.05179	4.8
160.97676	2.0
161.05861	2.8
163.03882	12.6
165.15741	1.9
171.07980	3.5
173.05942	12.9
173.09523	4.5
175.03870	3.8
175.07497	100.0
177.05479	14.3
183.07985	3.4
187.07529	3.6
187.11140	3.4
189.05493	7.5
189.08994	2.5
190.09288	2.9
191.03334	10.1
193.04909	9.5
199.07512	10.5
201.05566	2.4
201.09109	28.0
202.09837	4.3
203.03326	11.7
203.07016	11.7
205.12170	8.3
207.02843	4.1
209.09596	2.6
211.07483	4.4
217.08592	3.9
219.10123	15.3
221.04448	3.7
223.13274	3.4
225.09000	2.8
227.07021	10.8
228.07770	2.5
229.08524	67.3
231.06516	2.9
231.10080	4.0
243.10188	3.6
245.08026	46.5
245.11771	16.0
253.08446	3.1
255.06421	13.0
255.10054	4.5
263.09100	15.2
267.04865	15.1
269.78754	2.2
271.09622	7.6
273.07471	36.6
275.09009	2.4
281.08133	3.5
289.10638	38.3
291.08554	47.2
293.06467	8.3
299.09100	7.6
307.11630	4.0
309.09589	31.6
317.10181	10.6
321.13126	3.5
335.11179	68.7
349.12653	12.8
353.12195	4.0
367.13913	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	402.1758
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	2.3
57.03441	3.5
59.89859	2.5
67.05489	4.2
69.03422	8.9
69.07047	11.5
70.06580	2.1
71.04985	2.5
72.08137	9.4
76.56142	2.1
79.05485	16.3
81.07031	8.6
83.04990	2.6
85.02892	9.0
86.06838	2.5
91.05470	12.4
95.04934	3.7
95.08585	2.6
97.02865	3.8
97.06512	100.0
105.07003	9.0
106.04080	2.4
107.04921	4.0
109.02901	3.4
111.08091	4.2
114.26571	2.8
117.07001	4.2
119.04912	3.4
119.08575	37.3
121.10123	2.5
123.04398	21.2
127.03925	3.9
131.04906	13.0
131.08569	3.0
134.03598	8.3
135.04391	2.2
140.04895	2.5
143.08536	2.7
145.06512	11.6
147.04410	10.6
147.08078	3.9
149.05894	3.4
153.01797	4.0
154.06432	2.3
159.04439	9.0
159.08061	3.8
159.11655	2.7
160.05196	4.2
161.05981	2.5
161.13242	2.4
163.03882	19.1
169.07640	3.0
171.07973	5.3
173.05962	5.3
173.09645	5.4
175.03915	3.7
175.07507	82.9
177.05424	37.2
181.07654	4.5
182.05995	3.6
187.03905	4.0
187.07489	2.7
191.03410	12.9
193.04890	11.8
195.05542	21.3
199.07581	3.0
201.09050	24.3
203.03384	12.0
205.08536	3.1
207.02872	11.6
211.07468	4.6
213.06606	42.3
217.08534	5.6
219.10132	27.8
221.04446	5.1
225.09045	2.8
227.06947	4.1
229.08574	45.1
231.02831	4.0
231.10164	3.0
237.06602	3.7
241.08676	2.9
243.10123	4.1
245.08029	42.5
245.11740	11.1
249.03969	3.9
255.06470	9.9
255.10135	2.5
263.09149	14.3
267.04874	25.8
271.09641	5.0
273.07516	34.0
275.09018	3.0
289.10684	56.9
291.08542	26.8
301.08151	13.7
307.11789	14.8
309.09650	19.2
317.10178	17.0
321.13269	14.8
335.11169	58.6
349.12762	10.2
353.12158	13.2
363.72519	2.7
367.13748	14.4
384.11826	9.2
402.12817	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	402.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
50.00099	0.4
50.13076	0.4
52.54255	0.4
53.03930	0.4
55.01854	1.7
56.07538	0.4
57.03417	3.2
58.86422	0.4
62.13707	0.4
68.99786	0.9
69.03395	2.6
70.06570	3.9
71.01334	7.1
71.04962	0.7
72.08086	0.6
73.02888	1.6
79.05476	4.3
81.03393	0.8
81.07022	0.8
83.04958	0.5
83.54495	0.5
85.02900	6.0
86.09680	1.1
91.05458	9.3
93.07011	2.3
95.04908	0.8
97.02855	2.1
97.06471	0.6
99.00793	0.6
99.04385	0.5
103.05439	3.0
105.03403	0.5
105.07004	2.0
107.04955	1.0
107.08559	1.0
114.03064	0.5
114.93988	0.4
115.05439	1.9
116.06207	0.8
117.06971	2.3
121.06435	0.6
123.04369	4.2
123.08024	2.0
127.03919	0.6
129.06953	2.9
131.04878	5.1
131.08549	20.4
133.06468	28.2
133.07527	1.1
135.04405	0.7
135.08029	25.5
139.03880	8.3
141.06993	9.1
143.04941	0.7
144.05682	4.2
144.74367	0.5
145.06427	0.9
147.04395	1.8
149.02330	1.0
149.04359	0.4
149.05934	0.9
151.03917	1.0
151.07539	1.1
153.01784	4.0
159.04417	7.0
159.08029	53.5
161.05959	3.0
163.03886	3.0
169.06461	2.3
171.04367	0.7
175.03839	0.5
176.04654	12.6
177.05418	6.7
177.09102	4.3
179.03323	0.8
179.07036	4.6
187.07507	39.5
189.05507	0.6
205.08566	100.0
206.08813	0.6
223.06046	5.8
223.09581	10.6
251.27229	0.5
326.97696	0.5
401.47726	0.6
402.14868	0.6
427.30072	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	401.2165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	2.0
55.05503	12.5
56.85686	1.0
57.03422	2.1
57.07063	2.4
57.47599	1.3
60.53966	1.2
62.47097	1.1
65.41976	1.2
67.05482	8.5
69.03415	26.0
69.07044	6.8
70.06573	2.7
70.85111	1.1
71.04973	5.2
75.94479	1.1
78.67432	1.2
79.05489	12.5
81.03394	5.7
81.07032	24.6
83.04964	100.0
83.08614	2.5
85.02878	13.6
85.06522	8.0
91.05451	7.5
92.08611	2.1
93.07014	9.1
95.04948	7.3
95.08582	11.8
97.02872	4.5
97.06496	5.2
105.06998	11.2
107.04956	5.1
107.08554	14.6
109.02831	2.2
109.06511	11.4
109.10144	21.2
111.08065	8.6
117.06952	1.7
119.08556	22.3
120.08057	1.3
121.06487	2.8
121.10098	14.3
122.07233	1.3
123.04423	1.5
123.08041	9.3
123.11675	2.5
125.05979	1.5
125.09605	3.1
127.03866	1.4
131.08568	1.9
133.10091	10.0
135.08034	6.6
135.11652	2.8
137.05937	11.5
137.09590	25.8
138.10431	1.6
139.11127	12.8
145.06538	1.9
145.10080	2.4
147.04367	1.4
147.08031	10.3
151.07555	6.4
159.11662	2.5
161.09563	3.1
161.13200	7.9
163.03873	1.7
163.11150	12.3
165.09093	5.1
173.13240	1.3
175.14832	6.6
179.07059	2.1
181.12109	3.0
185.13187	1.4
193.15865	5.3
203.14348	5.1
221.15321	74.5
222.15695	1.5
239.16425	7.8
279.90295	1.5
334.03714	1.5
351.71490	1.5
401.16327	2.4
401.21326	13.7
401.28546	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	401.2166
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.6
55.01858	4.2
55.05499	12.1
57.03423	1.5
57.07057	1.6
59.04974	1.2
61.02930	1.7
65.91761	1.0
66.14109	0.7
67.05501	7.1
69.03412	27.4
69.07063	6.5
70.06586	1.1
71.04970	1.6
73.02894	1.0
79.05470	11.3
81.03392	2.0
81.07037	23.1
83.04964	35.9
83.05432	1.8
83.08603	4.2
85.02888	14.5
85.06537	2.1
86.09689	1.6
87.04436	0.8
91.05460	5.0
93.07021	8.2
95.04935	4.0
95.08585	14.8
97.02880	4.7
97.06504	1.4
99.04450	1.0
105.07001	8.1
107.04973	3.8
107.08587	9.0
109.06503	14.9
109.07768	1.0
109.10133	17.7
110.07226	1.1
110.16795	0.8
110.92951	0.8
111.08068	8.8
117.07002	1.2
119.08565	21.9
121.06482	1.9
121.10117	16.0
122.07256	3.3
123.04434	1.1
123.08032	11.6
123.11642	2.0
127.03899	1.8
131.08472	1.2
133.10110	11.7
135.08037	1.2
135.11681	6.0
137.05951	16.6
137.09592	27.9
138.10362	1.1
139.11176	3.7
145.10107	4.1
147.08002	5.8
147.11644	1.8
149.09578	2.2
151.07504	5.7
151.11105	1.1
157.10175	1.4
161.13261	3.9
163.11159	6.0
165.09096	1.8
175.11101	0.9
175.14824	6.4
185.13321	1.5
193.15892	7.1
203.14310	4.2
218.64507	0.9
221.15324	100.0
239.16348	1.3
280.45517	0.9
283.05426	1.3
401.16034	1.4
401.21228	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	401.159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.7
54.81796	1.2
55.05484	1.4
67.05487	6.3
69.03414	2.2
69.07047	6.5
71.04989	2.6
73.05738	1.3
73.15189	1.2
79.05470	18.2
81.03362	1.4
81.07033	18.7
83.04955	1.6
85.02892	7.6
91.05450	8.4
92.08632	3.2
93.07036	11.8
95.04935	7.6
95.08581	13.8
97.02911	1.4
97.06494	10.3
105.07017	12.5
107.04941	23.5
107.08553	12.5
109.02869	1.4
109.06457	2.5
109.10145	7.1
111.04447	2.1
115.05425	2.6
116.06166	2.3
117.07021	2.6
119.08553	18.6
121.06480	2.5
121.10123	5.2
123.04403	6.9
123.08098	1.7
123.11699	1.5
124.05185	6.9
125.05953	1.6
127.11186	1.9
128.06166	2.8
129.06970	7.0
131.08559	10.5
132.05710	1.7
133.06506	1.3
133.10060	5.6
135.11659	6.7
141.07010	5.6
141.23796	1.3
143.08534	1.8
144.05702	5.7
145.06482	3.0
145.10106	1.5
147.08069	1.9
147.11662	5.2
149.02328	1.6
152.04663	1.8
153.01862	2.6
156.05649	19.7
157.06483	3.2
157.10133	3.2
158.07213	1.8
159.07991	13.5
159.11674	7.0
161.13144	2.0
167.06999	49.1
167.92741	1.4
173.05981	5.1
174.74318	1.3
181.10062	1.6
184.05186	1.8
185.75308	1.7
186.06721	1.9
187.07581	8.1
190.07814	2.3
191.08533	2.9
192.09355	1.4
202.06200	5.8
202.07808	2.6
203.08488	5.3
203.18056	4.6
205.06584	2.7
205.08560	9.6
206.07309	1.5
207.08232	1.6
208.05162	24.8
208.08800	3.0
210.06647	2.1
211.07445	3.0
215.08638	1.5
217.08551	29.3
218.07310	5.6
219.08020	14.2
219.09923	2.5
220.08836	2.9
221.05925	3.3
221.18990	8.2
224.04639	1.7
226.06166	1.5
227.06860	1.7
229.08601	2.6
231.08072	3.3
233.09555	5.5
234.06548	1.4
234.10349	1.9
235.07402	2.7
236.04530	10.2
236.08333	5.6
237.09125	2.1
239.07036	2.0
239.10587	9.2
240.04201	5.3
241.08444	1.9
246.06702	1.7
247.07454	17.1
247.09633	8.4
248.08214	11.5
249.05453	2.1
249.09065	2.3
251.06979	1.8
251.10709	2.9
254.05777	14.1
255.06493	2.4
256.07297	1.3
257.04376	2.7
258.06775	1.4
261.08951	7.5
262.09689	4.3
263.07019	2.5
263.10648	6.4
264.07791	8.0
265.08566	8.1
267.06427	7.0
268.03659	3.4
269.07993	30.9
271.05804	1.7
271.09662	2.3
272.06543	5.1
275.06958	6.6
276.07791	9.6
277.08545	6.6
279.06918	1.6
279.10135	9.0
281.08032	2.6
282.05618	3.6
282.08823	14.7
287.09219	3.1
290.09290	5.8
291.09985	9.6
292.07278	7.5
293.08109	11.0
294.08734	1.5
299.08810	1.7
300.06235	3.0
301.06857	5.5
305.08081	2.9
307.09595	9.0
308.10434	6.7
310.08240	5.0
315.08554	100.0
316.08893	1.9
319.09659	5.5
321.07571	3.3
323.09128	2.4
323.12717	8.9
325.10526	2.9
328.09503	2.6
330.10895	65.9
331.11588	5.9
337.10754	7.5
339.12180	7.9
343.11569	9.4
351.12137	12.2
353.10031	6.5
356.12433	2.1
368.12500	6.4
369.13062	2.4
371.14932	2.7
383.10135	1.6
383.14822	39.3
401.15756	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	401.0088
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96551	8.2
64.33367	0.4
67.27991	0.3
71.95246	0.5
98.97552	100.0
116.98590	84.2
120.50286	0.4
134.99625	43.2
140.00200	0.5
153.00684	6.1
190.95374	0.5
192.98567	0.6
199.55551	0.5
208.96312	0.6
216.98767	0.6
218.00815	0.4
219.01921	0.6
232.96460	0.6
234.99637	2.7
240.98495	2.7
250.97357	0.6
256.96338	1.7
258.99664	38.4
260.99557	0.8
261.02606	0.5
274.97437	12.4
275.97842	1.6
277.00735	87.0
278.00858	1.7
279.00677	2.0
284.99738	1.6
292.98495	12.2
293.98804	0.9
294.98459	0.8
295.01682	0.7
298.97861	0.4
300.02408	0.7
301.01077	0.7
302.01019	0.9
303.00821	4.5
316.98676	1.7
317.98935	0.5
331.84189	0.5
358.99493	0.7
359.03406	1.3
382.99695	2.1
401.00885	10.5
419.02002	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	400.3782
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	19.9
57.07055	2.0
58.06581	3.7
66.60533	0.8
67.05486	1.2
69.07056	14.3
70.06576	27.8
72.08125	0.8
74.06069	0.9
74.44114	0.8
77.77141	0.9
81.07040	1.9
83.08606	5.9
85.15838	0.8
88.07613	42.0
90.73666	0.8
95.08572	3.5
97.06518	1.4
97.10156	1.3
102.09157	20.1
105.07059	0.9
110.10527	1.1
123.39036	0.9
128.70612	0.9
132.10176	1.8
146.11687	1.0
150.11171	1.0
165.63528	0.8
168.40335	0.8
188.65833	0.8
278.09238	0.8
338.34070	54.1
382.36777	1.5
400.37762	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.3783
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.05506	17.3
56.22266	0.4
57.07076	3.6
58.06590	3.4
64.62605	0.5
65.38634	0.5
67.05483	1.2
68.05005	0.5
69.06713	0.8
69.07059	14.7
70.06198	1.0
70.06577	26.9
72.08138	0.8
74.06059	0.5
81.07037	1.1
83.08616	4.0
88.07615	40.3
91.53002	0.5
92.09341	1.7
95.08599	1.0
97.10149	2.0
102.09164	18.7
107.08567	0.5
108.10947	0.5
123.11672	0.6
132.10193	2.5
146.11789	0.9
191.56589	0.5
240.16434	0.6
338.34100	50.4
344.07922	0.6
366.19220	0.5
382.36588	2.4
400.37781	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.1
55.05505	0.2
55.20274	0.1
57.03422	0.2
58.65700	0.1
58.79312	0.1
61.02885	0.2
64.45351	0.1
70.13989	0.1
71.04970	0.7
73.02867	0.2
77.03883	0.2
77.43398	0.1
79.05463	1.7
81.03410	0.3
81.07043	0.4
83.04964	0.2
85.02881	1.3
86.03204	0.2
89.01691	0.1
95.04928	0.7
95.08583	0.2
96.39470	0.2
97.02861	0.3
99.04454	0.2
99.08063	0.2
103.05446	1.0
105.07010	100.0
106.07352	0.4
107.08586	0.2
114.60413	0.2
121.10098	0.2
122.09641	30.4
125.09595	0.3
127.03905	0.2
131.08557	0.2
137.05783	0.2
137.09651	0.2
145.02782	0.7
147.72501	0.2
149.09671	0.2
150.50208	0.2
150.62833	0.1
167.10692	0.2
175.07588	0.2
177.05447	1.2
178.84846	0.2
185.11676	0.3
203.12750	1.0
216.06306	0.2
221.14021	0.5
238.10701	0.8
259.73639	0.2
314.24387	0.2
314.62360	0.2
373.47131	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2172
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20581	0.3
53.00299	0.8
53.03929	0.6
53.95098	0.4
55.01860	1.1
57.03426	31.2
59.04990	6.5
60.04513	0.5
61.02910	5.9
66.31947	0.4
69.03416	77.3
70.06580	0.7
71.01318	0.5
71.04973	0.9
72.64979	0.4
72.98991	0.4
73.02911	4.4
75.04464	3.7
81.03391	4.5
83.04971	0.7
85.02889	100.0
85.61458	0.4
87.04447	51.3
91.03923	2.4
92.08686	1.1
97.02868	57.7
99.04431	4.0
101.02370	0.5
103.03931	1.9
107.04973	0.4
109.02866	5.1
111.04461	0.9
115.03907	52.8
117.05490	0.5
120.01053	0.4
121.82075	0.5
127.03891	12.8
131.01767	0.4
133.04942	50.5
137.50607	0.4
139.03871	0.5
145.04938	21.5
145.06078	0.7
150.07616	6.2
158.09003	0.4
163.05965	10.8
169.04935	0.9
177.05505	0.8
194.88824	0.5
205.07051	0.6
241.07135	0.9
249.43054	0.5
251.14912	3.2
259.08170	2.4
271.39450	0.5
277.09097	1.0
295.10254	2.6
400.16495	2.1
423.17682	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.2174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	1.4
57.03176	0.7
57.03429	11.4
57.14624	0.6
61.02914	2.6
63.66613	0.6
69.03404	3.0
71.04974	81.2
73.02885	4.2
75.04449	4.6
83.04962	8.3
85.02888	100.0
87.04452	1.6
88.74251	0.6
97.02873	5.3
99.04387	1.1
109.02843	1.0
111.04415	4.2
121.76884	0.7
127.03889	4.9
129.05455	26.0
145.04926	3.1
147.06491	15.5
159.93700	0.8
163.05981	1.5
164.09129	2.6
253.00824	0.8
292.53613	0.7
309.11676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.01857	8.1
57.01383	0.6
57.03426	18.1
57.07056	0.8
59.04984	2.9
61.02629	1.2
61.02914	19.6
61.03216	1.3
69.03411	34.4
69.29688	0.6
70.06544	0.8
71.01337	3.8
71.04983	3.1
72.08150	0.7
73.02895	79.8
76.55403	0.6
81.03387	6.0
85.02886	100.0
87.04460	5.9
91.03936	4.3
91.05466	4.0
92.05788	1.2
92.63020	0.6
93.07052	0.7
95.08620	0.7
97.02866	46.3
99.04430	6.0
103.03916	1.5
105.07043	0.9
107.08540	1.3
109.02870	8.7
113.26302	0.7
115.03901	21.5
126.76902	0.6
127.03889	25.6
133.04942	21.8
135.11629	1.1
145.04936	28.1
150.07626	1.1
153.63884	0.7
161.09610	1.0
163.05986	11.3
177.05431	0.8
179.10570	2.4
181.04858	1.0
193.04912	1.0
197.11766	3.7
217.06914	2.4
223.05971	3.2
241.07011	3.5
248.36623	0.7
251.14842	3.5
259.08078	6.7
277.08966	1.0
295.10239	2.5
297.98608	0.7
400.16223	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.16
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47731	0.3
55.01867	0.6
55.05495	2.7
56.96554	9.3
57.03443	0.4
59.04988	0.3
61.02911	1.4
63.02359	0.3
63.04475	1.3
67.05463	0.3
69.03428	2.3
69.07035	0.4
70.06580	0.4
71.04976	1.6
71.95256	0.3
72.40237	0.2
73.06534	0.5
75.04457	2.4
76.55923	0.2
81.03400	1.8
81.07059	0.6
84.96021	6.0
85.02892	4.9
85.43796	0.3
87.00801	2.1
87.04444	0.4
89.03899	2.7
91.05461	0.3
93.07075	0.3
95.04945	0.3
95.08599	0.3
97.02887	3.5
97.06519	1.4
97.96753	0.3
98.97563	25.2
99.04446	1.2
101.05969	0.3
102.97038	0.6
103.32178	0.2
105.01857	1.0
105.07034	0.4
107.08567	0.2
109.02877	1.7
110.97557	3.2
111.04436	0.3
112.99104	0.5
113.05873	0.3
116.98600	17.4
117.03355	14.8
117.09135	0.6
120.08102	1.1
125.09619	0.5
126.96992	0.6
127.03905	2.1
128.98566	5.6
129.58173	0.2
131.00133	1.4
131.04994	0.3
133.06441	0.4
133.39616	0.3
134.03569	0.5
134.99623	7.8
135.04358	1.5
135.10146	5.3
139.11136	0.4
140.00131	0.3
140.98573	1.1
143.00169	2.5
144.98093	3.0
145.02827	65.4
146.94333	0.3
146.99614	4.4
149.01196	0.6
149.05959	6.5
153.00639	0.5
158.99615	5.1
159.02832	0.4
161.01167	5.0
162.99126	5.1
163.03885	0.5
165.00645	0.4
167.10661	0.6
170.99574	1.1
174.12723	0.5
177.00700	9.1
177.05432	100.0
179.02245	1.0
185.11670	1.5
186.05318	0.3
189.00685	1.7
192.13847	0.6
195.01735	1.4
201.00679	0.5
203.12840	2.1
213.00679	1.1
214.03796	2.1
219.01718	4.1
220.09589	0.3
221.13734	0.6
232.04890	12.8
237.02789	8.4
238.03433	0.4
238.10701	14.6
238.14346	1.2
250.05949	2.5
255.03769	0.6
256.04837	2.5
274.05914	3.0
280.04913	0.5
298.05814	0.5
310.05832	0.5
340.03342	0.4
340.07150	4.4
358.08081	28.2
376.09048	3.0
381.09360	1.3
399.28479	0.3
400.08987	3.8
400.16095	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	400.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49296	0.3
52.60891	0.3
53.03930	0.3
53.59808	0.4
54.05299	0.3
54.09602	0.3
54.18919	0.3
55.05490	0.9
56.14566	0.3
57.03415	0.7
59.88559	0.3
61.02912	0.5
64.32764	0.4
64.99558	0.3
65.09304	0.4
67.05485	0.4
69.03416	3.5
69.07059	0.5
70.06561	1.7
71.04961	2.9
72.08121	2.5
81.03401	0.9
81.07026	0.5
83.04948	0.9
85.02477	0.4
85.02888	6.3
86.09678	1.6
87.04411	0.5
89.03880	2.0
91.05432	0.5
93.07008	0.5
95.04983	1.3
97.02854	1.8
99.04388	0.4
105.03390	0.4
109.42432	0.5
116.98598	0.6
117.03352	13.5
121.10098	0.6
127.03847	0.4
127.11105	0.5
133.04944	0.4
134.03654	0.5
135.04395	1.0
145.02821	59.1
145.08612	0.4
149.05963	5.3
155.10652	0.4
161.05928	0.7
163.03845	0.6
177.05424	100.0
201.11121	1.0
202.11578	0.9
206.04449	0.5
238.10684	26.4
262.83231	0.5
309.75269	0.5
388.93289	0.4
400.15973	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	400.0912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.62332	0.7
53.43099	0.7
54.49019	0.6
55.05496	0.9
56.96558	30.5
57.03409	1.1
57.07045	0.8
59.04979	1.2
61.02904	1.4
69.03407	4.6
69.07059	1.2
70.06567	3.7
71.04966	5.4
72.88581	0.6
74.97572	1.3
75.04447	1.1
79.05459	0.9
81.03405	3.0
81.07039	1.5
84.96014	16.7
85.02888	7.2
93.07004	1.2
95.04959	1.6
95.08593	1.0
97.02855	3.2
97.06499	3.3
98.97568	84.9
99.04436	1.7
102.97043	1.8
105.07002	1.3
107.04912	1.2
109.06519	1.0
110.97557	9.7
112.99085	1.9
115.07513	1.2
116.98605	58.0
120.08052	1.9
121.10123	1.4
125.09618	1.2
126.97040	1.0
127.03959	1.2
128.98595	21.8
131.00174	5.5
133.06505	1.3
134.99646	26.0
135.10117	1.3
137.09641	1.1
139.11127	1.0
140.98557	5.0
143.00121	8.4
144.98074	12.0
145.01801	1.0
145.02769	5.9
146.99631	18.0
147.04396	1.2
149.01195	3.2
152.98589	0.9
153.00677	1.9
158.99631	18.5
161.01190	14.5
162.99123	19.1
165.00714	1.6
167.10643	1.8
170.99649	4.4
174.12804	1.9
177.00681	29.7
177.05446	10.2
179.02144	2.9
179.03535	1.2
180.53516	0.9
181.00169	1.8
185.11681	1.6
188.54869	1.9
189.00681	5.6
192.13843	1.1
195.01723	5.4
201.00705	2.0
203.12788	5.8
214.03836	7.5
219.01746	12.6
219.06859	0.8
221.13844	1.6
232.04904	43.8
237.02779	29.2
238.10587	1.1
238.14281	1.5
245.18752	1.0
250.05893	9.8
255.03812	3.2
255.06381	1.0
256.04843	10.6
258.06558	1.1
274.05939	13.6
280.04861	3.9
292.04797	1.6
298.05923	5.1
310.05789	1.7
340.06909	13.4
358.08029	100.0
361.09744	0.9
376.09073	9.2
381.09671	1.6
400.09018	14.1
413.36990	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.9756
Annotation	Unknow
Peak:m/z	Relative Intensity
52.74173	0.3
56.96554	12.2
66.62246	0.5
69.03423	1.0
71.95231	0.9
76.12651	0.4
83.12561	0.4
84.07657	0.4
85.02900	0.7
97.02864	7.9
98.97555	100.0
113.03507	0.5
116.98593	84.2
119.01909	0.7
130.93283	0.6
134.94560	0.4
134.99628	43.4
140.00143	0.8
153.00667	6.8
158.01247	0.8
172.94226	3.6
177.00914	1.0
190.95358	8.2
203.02466	0.5
208.96426	3.1
209.29959	0.5
209.54979	0.5
214.95294	1.9
219.01970	0.5
221.02005	0.5
224.97319	1.0
225.97237	0.6
232.96385	8.9
233.97719	0.6
250.97491	8.2
251.97655	0.5
256.96332	9.5
258.99689	3.8
261.03024	1.6
263.02771	0.8
274.97430	81.0
275.97955	0.5
277.00723	6.6
282.99814	4.6
290.95364	0.7
292.98477	73.4
297.99011	1.7
301.00977	8.8
303.00943	0.7
310.99408	0.7
316.00323	0.5
319.02121	0.8
357.03513	0.8
368.01273	0.5
380.96539	0.8
398.97955	5.0
416.98865	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	398.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.3
55.05502	0.7
57.03424	1.8
58.26112	0.4
59.36107	0.3
61.02907	0.8
67.05492	9.5
68.70197	0.3
69.03413	5.4
69.07036	2.5
71.04966	1.8
71.47270	0.3
73.02891	2.2
79.05463	2.2
81.03400	0.6
81.07048	1.7
82.71133	0.4
83.08611	0.8
85.02890	9.3
86.90469	0.4
87.00829	0.4
87.04475	0.5
91.05459	18.7
93.07021	15.3
95.04961	1.4
95.08582	25.2
97.02873	3.7
97.06481	0.5
98.97574	0.6
99.04417	1.7
101.02356	8.5
105.07005	2.1
107.08548	0.9
109.02866	0.6
109.10133	17.8
111.04527	0.4
111.08014	0.5
113.05984	0.4
115.03900	1.8
117.03367	0.4
117.06969	1.4
119.08557	73.5
121.06424	0.4
121.10110	1.3
123.08038	1.9
127.03872	1.8
129.07013	0.6
133.04967	0.7
137.09590	67.6
145.02786	0.5
145.04889	0.6
147.08020	8.8
155.10643	6.1
165.09058	10.3
177.06633	0.6
178.06935	0.4
181.37283	0.3
183.10127	5.3
201.11183	100.0
219.12230	15.9
219.14009	0.4
221.05560	3.0
222.05969	2.7
277.44846	0.4
302.59317	0.4
313.05273	0.3
381.11093	2.4
399.15848	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	2.2
53.03922	1.4
54.73749	0.9
54.82054	0.8
55.01853	2.5
55.05497	4.5
57.03427	17.5
59.04978	4.4
61.02897	5.5
67.05492	18.8
69.03413	42.0
69.07049	23.1
71.04972	41.3
71.05274	0.9
73.02898	7.6
73.06535	7.5
75.04465	2.0
79.05467	6.0
81.03398	6.9
81.07032	14.1
82.07349	1.1
83.04983	1.5
83.08588	0.9
84.25104	1.0
85.02882	48.5
85.06512	6.8
87.00805	9.2
87.04446	20.5
87.08083	4.1
89.06024	2.0
91.05470	1.8
93.07016	9.9
95.04943	61.6
95.08566	13.5
97.02267	1.5
97.02866	35.1
97.06499	12.0
97.10119	1.1
99.04421	5.5
99.08060	9.4
105.01842	2.0
105.06998	4.0
107.04967	1.2
107.08568	5.5
109.02844	5.3
109.06493	1.6
109.10147	12.9
111.08065	7.2
111.11679	1.4
113.05960	1.1
113.09547	1.2
115.03890	18.7
119.08533	3.8
121.10105	4.9
123.08067	1.8
125.09575	1.5
127.03903	11.5
127.11141	15.6
133.04922	20.5
133.08574	1.4
137.09581	13.8
137.13187	1.0
139.11111	2.0
145.04927	8.7
147.11642	1.3
150.07600	1.6
153.12674	1.3
155.10614	14.1
163.05914	1.3
164.82245	1.0
165.09070	4.8
165.12767	1.2
167.06992	20.1
169.12300	1.5
173.08099	4.1
183.10104	20.5
183.13744	12.0
187.13309	6.2
199.16849	1.4
201.11179	100.0
201.14804	12.0
219.08730	1.2
219.12253	8.4
219.15770	1.5
301.24594	1.1
319.59930	1.2
363.20053	1.9
411.97617	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3824
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05487	24.2
57.07058	25.2
67.05476	32.8
69.07056	45.7
71.08603	13.8
79.05458	25.4
81.07035	84.1
83.08598	12.9
86.08575	6.1
90.45002	6.1
91.05461	25.3
92.08675	6.7
93.07016	47.7
95.08579	54.4
97.10152	9.3
105.06971	43.4
107.08569	37.5
109.10144	47.5
109.37098	5.7
112.32235	5.5
119.08555	42.5
121.10133	21.8
123.11662	22.0
131.78474	5.7
133.10097	12.2
135.11646	38.5
143.79163	6.3
147.11646	63.1
149.13234	9.7
159.11601	7.5
161.13156	63.7
175.14703	12.7
185.36682	5.2
209.79787	5.7
215.17880	9.4
227.84506	6.1
260.63574	7.0
262.06473	6.2
268.35889	6.3
295.23911	5.6
397.38217	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	398.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21168	0.1
50.98978	0.1
53.03942	0.3
55.01856	0.3
55.05511	0.2
57.03423	0.3
57.80437	0.1
61.02922	1.8
61.77288	0.1
65.03928	1.1
67.05492	0.3
69.03415	2.5
71.04964	0.3
73.02899	0.4
73.99350	0.2
76.46409	0.1
79.05479	0.6
81.03400	0.7
81.07029	0.7
82.93318	0.1
85.02892	7.5
91.05463	100.0
93.07020	0.6
95.08599	0.2
97.02869	2.5
99.04410	0.3
102.45445	0.1
105.07013	1.0
106.07365	0.2
107.04970	0.2
109.02864	0.6
109.06450	0.2
109.10133	0.3
127.03889	1.0
132.64606	0.2
133.10109	3.1
134.10443	0.6
135.04370	0.2
137.09593	0.2
143.08569	0.3
145.04924	1.1
163.03836	0.2
178.02921	0.2
191.07141	0.2
201.09171	0.3
201.12730	0.3
202.76576	0.2
219.06474	2.8
235.16943	0.2
236.17314	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3461
Annotation	Unknow
Peak:m/z	Relative Intensity
53.86064	4.2
55.05491	33.8
65.03933	4.8
67.05488	43.7
69.07052	44.1
71.04967	8.8
79.05466	30.4
81.07033	100.0
83.08592	12.9
91.05432	22.5
93.07027	74.4
95.08588	91.6
99.04418	11.5
105.07013	66.3
107.08572	70.8
109.10128	60.1
119.08559	53.8
121.10129	57.6
123.11664	26.3
131.08531	12.5
133.10086	44.8
135.11681	30.5
139.47668	5.3
145.10118	35.8
147.11644	35.4
149.13199	27.4
157.10153	6.4
159.11635	33.9
161.13258	28.3
163.14842	11.9
171.11716	5.7
173.13177	24.7
175.14822	12.4
187.14761	21.0
187.39877	5.6
201.16397	7.5
203.17941	10.5
215.17928	6.8
379.33508	9.3
397.34659	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	397.2708
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05482	2.7
62.81574	1.4
67.05482	7.8
68.56313	1.3
69.07047	3.3
72.83571	1.2
73.71724	1.3
79.05456	2.7
79.08377	1.4
81.07031	12.6
88.46992	1.4
91.05458	7.1
93.07001	10.0
95.04919	2.3
95.08572	9.7
105.07016	8.8
107.08543	3.7
109.10125	2.1
119.08549	8.2
121.10092	2.7
127.09854	1.4
131.08516	1.7
133.10083	3.2
135.11652	2.6
145.10112	2.2
147.11636	2.0
157.10103	2.0
159.11678	2.9
163.35088	1.9
313.21484	3.3
333.16867	1.7
349.17004	2.8
397.27045	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.3097
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	2.5
55.05502	24.9
57.07058	2.8
60.04493	10.3
67.05492	29.7
69.07057	17.2
71.04961	4.3
76.38904	2.3
79.05479	22.3
81.07036	100.0
83.04955	3.2
83.08584	5.3
85.06520	23.4
87.53496	2.2
91.05453	22.1
91.21770	2.0
93.07021	55.0
95.04951	3.5
95.08582	56.2
97.10147	2.8
98.14195	2.5
99.04435	10.1
101.06017	3.7
105.07003	54.5
107.08581	71.0
109.06508	9.6
109.10130	25.4
117.06998	4.4
119.08557	58.5
121.10116	36.5
123.11710	5.3
127.07540	4.6
131.08548	24.1
133.10100	28.9
135.11690	19.1
140.47086	2.3
143.08627	7.6
145.10114	28.5
147.11642	25.1
149.09669	3.5
149.13240	26.2
157.10133	16.6
159.11667	31.2
160.21884	2.6
161.13210	19.3
163.14740	16.9
169.10065	2.8
171.11656	13.5
173.13184	22.2
175.11154	2.8
175.14871	8.1
183.11636	3.4
185.13286	9.4
187.14780	22.0
189.16371	15.0
191.17892	3.9
199.14827	4.2
201.16365	8.2
203.17941	4.5
213.16396	13.9
215.17993	8.4
227.17885	17.5
269.18604	2.3
283.24023	4.6
288.39539	2.7
397.27103	2.6
397.31058	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2499
Annotation	Unknow
Peak:m/z	Relative Intensity
54.70176	1.5
55.05499	19.7
56.05031	3.7
57.06157	1.6
57.07063	2.2
58.02943	1.5
60.04510	100.0
61.04815	2.5
65.93050	1.6
67.05484	15.6
69.07052	12.4
79.05473	11.5
81.07040	29.8
82.06548	1.8
83.08600	13.4
85.06528	2.2
91.05457	9.2
93.07037	14.3
94.06519	2.5
95.08575	19.7
97.10138	2.4
105.07005	10.4
107.08573	10.5
109.10197	5.6
119.08567	9.9
121.10106	3.9
123.11743	2.4
125.28336	1.9
133.10094	3.7
142.12253	10.7
145.10066	1.9
147.11630	2.0
151.07513	2.6
260.33829	2.0
280.26154	3.7
281.26550	2.4
294.89774	1.9
298.27316	10.3
299.27631	8.5
396.34616	20.1
397.25092	7.8
397.35175	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	397.2708
Annotation	1-Hexadecyl Lysophosphatidic Acid
Peak:m/z	Relative Intensity
54.81729	0.8
55.05501	1.0
55.24332	0.7
58.33153	0.7
59.85039	0.7
67.05483	3.5
72.69852	0.7
75.31621	0.7
79.05466	3.4
81.07043	5.9
91.05445	3.4
93.07033	5.7
95.04942	1.9
95.08566	1.6
105.06985	3.5
107.04897	0.8
107.08573	3.4
109.10097	1.5
112.71498	0.8
119.08556	1.6
121.10109	0.8
125.00624	0.8
133.10085	1.1
134.10384	1.3
137.09578	0.9
145.10141	1.0
159.11665	1.2
176.15140	0.8
204.56404	0.8
296.23264	1.0
397.27032	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2216
Annotation	Tinocordiside
Peak:m/z	Relative Intensity
53.03932	3.3
55.05499	6.1
64.04847	3.2
67.05473	8.7
69.03408	14.3
69.07047	24.4
79.05463	15.1
81.07037	32.7
83.04942	5.0
83.08598	5.5
85.02866	17.1
91.05446	13.4
93.07024	30.0
95.08588	29.7
97.06474	4.9
101.63531	3.3
105.06982	42.3
107.08575	32.1
109.06470	4.2
109.10116	20.1
111.04426	4.4
119.08531	19.2
121.10098	18.5
123.11717	4.5
131.08554	7.3
133.10081	69.5
135.11607	4.2
143.08574	5.7
145.10097	7.6
147.08032	5.2
147.11653	21.7
149.13226	23.1
151.07529	14.0
157.10091	5.9
158.04414	3.9
159.11589	6.0
161.09607	25.8
175.14755	5.5
179.10651	14.5
189.16376	17.8
199.14775	4.8
217.15880	24.4
224.55745	3.5
235.09525	24.4
235.16881	100.0
266.91418	3.5
296.18814	3.9
397.21896	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	397.2063
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.5
55.01855	1.8
55.05500	3.1
57.03428	12.7
59.05011	1.0
61.02909	3.7
67.05473	0.5
69.03414	5.3
69.07056	0.8
71.01328	0.8
71.04975	36.4
73.02906	4.2
75.04457	8.1
81.03408	1.9
81.07057	1.0
83.04962	8.7
85.02888	100.0
85.06490	0.5
87.04436	2.7
91.03934	0.9
95.04924	0.5
95.08578	0.6
97.02872	8.5
99.04410	2.4
101.06011	1.1
109.02891	3.2
111.04426	2.9
111.15063	0.5
121.10126	0.6
127.03868	5.3
129.05455	17.5
145.04936	6.2
147.06494	10.2
154.34045	0.4
161.18704	0.5
163.06015	1.8
165.42783	0.5
169.04854	0.7
170.06029	1.4
184.07629	0.9
209.50508	0.5
210.05420	0.6
229.09601	0.9
255.08664	0.7
273.09210	0.7
309.11975	0.7
397.18594	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.2195
Annotation	His Leu Gln
Peak:m/z	Relative Intensity
53.72264	1.0
54.37906	1.0
55.05486	1.7
57.03411	1.3
69.03415	1.7
70.94368	1.0
71.04984	1.2
79.05459	1.1
81.03388	1.2
81.07025	4.9
85.02885	2.5
91.05423	1.4
93.07024	2.2
94.80006	1.1
95.04972	1.2
95.08585	1.4
109.10124	1.3
109.15158	1.1
111.08050	1.3
119.04986	1.1
121.10079	1.8
123.11675	1.7
126.57307	1.2
132.35310	1.1
135.11671	1.1
137.05934	10.6
150.64647	1.2
151.07590	1.0
161.05954	1.5
185.09625	1.4
213.09120	1.6
235.16867	1.5
273.11151	4.4
317.11490	1.3
397.16736	8.8
397.21893	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	397.1351
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.6
54.50546	0.4
55.01856	0.9
55.05509	0.7
57.03426	5.6
59.05006	0.5
61.02895	3.2
63.11921	0.5
67.05492	0.6
69.03068	0.6
69.03416	11.1
69.07035	0.6
71.01328	1.2
71.04967	4.8
73.02866	1.3
75.04424	0.7
79.05459	0.7
81.03407	0.9
81.07027	3.4
81.42477	0.5
83.08615	0.6
85.02875	2.1
85.06500	1.0
91.05424	0.6
92.08671	0.6
93.07031	3.1
95.08588	3.1
97.02875	0.9
97.06497	0.7
99.04424	3.7
99.08080	0.7
101.05981	0.5
104.04972	0.7
105.06990	0.6
107.08559	2.6
107.82957	0.4
109.02801	0.5
109.06473	0.7
109.32071	0.5
111.08049	0.8
117.05479	0.5
121.10091	2.8
128.82552	0.6
129.04457	1.0
131.06017	1.2
131.90366	0.5
133.07578	6.8
135.11653	0.8
136.47205	0.5
145.10066	0.7
146.10442	0.5
153.12689	1.0
157.03940	5.6
157.15260	0.6
159.05518	2.1
163.11153	1.2
163.14857	0.6
175.04990	2.3
177.06555	18.4
181.12199	2.8
182.12494	0.7
189.06624	3.8
199.13312	3.7
199.17075	0.6
200.13637	0.6
203.04475	3.4
215.08131	2.1
221.05534	100.0
245.08977	0.8
246.05043	14.6
254.95366	0.5
275.09906	0.6
293.11243	5.4
319.09305	0.7
337.10226	11.1
380.10785	60.8
397.14554	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3464
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.05501	15.3
56.05024	5.0
57.07063	5.2
57.66797	1.0
58.53377	0.9
60.04513	100.0
64.33526	1.0
67.05496	15.9
68.58625	0.9
69.07057	12.8
69.21923	0.9
70.06586	1.3
71.08620	2.4
72.04486	4.1
74.06067	1.4
77.35631	1.1
79.05471	8.6
81.07029	20.0
82.06567	1.3
83.08595	9.0
91.05461	7.0
93.07004	9.8
94.06558	1.1
95.08588	13.4
96.08916	1.5
97.10120	2.2
100.07619	1.3
105.07013	6.5
107.08570	7.7
109.10142	5.8
112.07555	1.0
117.07014	1.4
119.08559	6.0
121.10125	6.6
131.08516	1.8
133.10123	4.9
135.11699	2.0
142.12242	11.3
142.22830	1.1
145.10123	1.7
147.11713	1.5
157.10101	1.3
159.11636	1.9
161.13240	2.0
235.97249	1.0
241.08766	1.1
262.25192	1.7
280.26257	13.8
298.27319	20.2
308.57794	1.2
396.34607	44.2
400.24539	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.3315
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05515	10.2
57.07067	42.2
59.04997	2.4
65.72364	2.6
67.05498	4.3
69.07053	4.3
71.04964	3.5
71.08615	33.3
73.06542	5.5
79.05492	4.6
81.07043	12.1
83.08652	3.7
84.17570	2.5
85.10167	35.2
85.67825	2.6
86.33048	3.1
89.06010	100.0
91.05466	10.2
93.07028	17.3
93.48513	2.6
95.08637	3.5
105.07021	11.0
107.08587	11.1
119.08563	6.1
133.08592	30.9
147.11716	3.6
159.11728	4.0
173.19977	2.6
177.11183	5.8
181.72722	2.9
194.55531	2.5
229.21695	4.6
239.14926	15.3
358.47363	2.7
379.30444	50.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
50.70142	0.5
55.01859	1.2
55.05499	2.9
56.35524	0.6
57.03419	4.4
57.07060	1.2
59.04708	0.6
59.04983	2.5
61.02909	3.7
64.32806	0.6
67.05478	3.9
69.03413	8.7
69.07056	7.7
70.06570	0.8
71.01321	0.7
71.04971	4.1
73.02896	1.3
74.76798	0.6
77.70593	0.6
79.05472	3.7
81.03393	3.5
81.07037	6.2
83.04959	4.3
83.08580	1.0
84.43985	0.6
85.02885	24.1
85.06522	9.4
86.09694	0.9
87.04421	0.9
91.03960	0.7
91.05460	3.5
93.07020	13.3
95.04943	24.8
95.05517	1.3
95.08575	20.5
97.02859	6.0
97.06500	14.3
97.10168	4.0
99.04430	7.3
99.08073	3.1
101.05978	1.0
105.07012	5.1
107.08559	9.6
109.02855	2.8
109.06506	4.0
109.10136	7.2
110.07104	0.8
111.04430	1.4
111.08075	6.0
111.11698	4.2
113.05969	2.4
115.07545	1.1
118.15089	0.7
119.08539	3.4
120.08067	1.4
121.06480	2.5
121.10115	31.2
123.08006	6.3
123.11670	1.3
125.05978	1.2
125.09618	3.1
127.03880	3.6
127.07529	0.9
133.02829	4.2
135.08034	2.8
135.11650	7.9
137.05963	1.0
137.09599	6.8
137.28857	0.6
139.07544	3.4
139.11150	100.0
145.04965	3.2
145.10107	4.1
146.99641	0.8
147.04456	1.0
151.11145	2.5
153.09090	3.7
153.12677	1.2
157.08627	0.9
157.12207	35.9
163.07529	1.0
163.11119	9.1
178.02565	1.4
181.08617	5.0
181.12187	18.5
193.04927	16.8
199.09660	6.0
199.13228	18.0
217.10663	2.6
217.14285	3.0
278.63971	0.8
396.13367	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	396.1075
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.2
51.35937	0.1
52.54497	0.1
53.75935	0.1
54.95352	0.1
55.01870	0.2
55.05494	0.7
57.07058	0.2
67.05492	1.6
68.99776	0.9
69.03407	0.2
69.07036	0.5
71.04967	0.2
77.03883	0.2
78.03425	1.4
79.04203	0.2
79.05460	0.2
80.04999	3.1
81.07035	1.5
83.08579	0.3
85.02883	0.6
85.06512	0.6
88.66324	0.1
89.03876	0.3
91.05460	0.2
95.04939	0.8
95.08589	1.6
96.04467	2.8
96.08930	0.1
97.02882	0.2
97.10139	0.5
99.08061	0.2
105.03362	0.5
106.02892	3.1
107.04933	0.3
109.10134	1.4
110.10483	0.2
111.00785	1.9
111.04434	0.2
119.04945	0.2
123.04401	40.1
123.11655	0.9
124.03925	100.0
124.12045	0.2
125.04247	0.2
127.03870	0.2
135.04387	4.0
139.03880	6.6
145.06488	0.8
147.04384	5.4
151.03876	0.8
163.03871	1.1
163.07494	1.2
179.17900	0.2
181.06415	0.2
189.05423	1.2
197.18962	0.3
199.07533	0.8
213.05382	0.2
255.06511	0.8
258.07532	0.3
273.07513	7.0
302.17377	0.2
334.20215	0.3
378.22705	0.2
396.10703	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	395.3303
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00268	5.4
55.05494	24.2
57.07051	10.6
57.83075	5.5
57.86620	5.5
67.05484	37.6
69.07047	35.9
71.04961	7.3
71.08614	6.1
79.05473	26.9
81.07034	98.2
83.08613	9.4
85.06552	8.7
89.05981	5.5
91.04970	6.5
91.05424	59.5
93.07010	76.2
95.04952	8.4
95.08578	95.3
105.07006	100.0
107.08572	79.1
109.10130	58.4
117.06950	9.6
119.08545	79.2
121.10130	61.2
123.11636	12.6
131.08559	34.2
133.10095	40.6
135.11684	27.2
138.95726	6.7
142.07703	8.2
143.08511	9.1
145.10101	45.3
147.11671	29.6
149.13297	9.5
153.17053	6.7
156.09264	8.1
157.10091	37.2
159.11644	36.9
161.13374	21.6
162.38310	6.4
169.10126	12.3
171.11630	14.9
173.13243	32.2
175.14822	26.1
181.92081	6.8
185.13197	27.4
187.14699	13.4
189.16319	11.8
197.13167	7.1
198.18466	10.7
199.14854	15.7
201.16389	7.7
213.16275	11.3
215.18013	6.8
227.17979	8.4
269.22580	12.7
319.61005	6.9
395.32968	40.6
408.80170	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	395.095
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02895	2.0
81.03412	1.6
92.31055	1.9
145.42166	2.3
146.60976	1.8
164.52879	1.9
169.75226	1.9
177.97870	1.6
219.10561	7.4
229.74873	1.8
287.06131	1.7
395.09427	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07059	6.5
58.06597	1.4
58.07734	1.0
65.03922	1.5
66.15265	1.0
70.06576	16.1
88.07603	18.9
88.55813	1.0
102.09164	14.4
121.02828	0.9
139.03830	1.8
149.02325	100.0
149.03377	5.9
150.02618	1.2
151.02878	1.2
193.04922	86.7
194.05421	1.0
219.74475	0.9
228.23169	37.4
327.04037	1.3
394.25797	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	394.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.6
53.03936	2.9
53.21628	0.4
55.01852	2.5
55.05502	8.6
57.03433	4.3
57.07060	5.7
59.04988	0.7
61.02899	2.8
64.54390	0.5
67.05145	0.7
67.05487	16.9
69.03124	0.5
69.03419	8.2
69.07052	14.8
69.11380	0.5
70.03469	0.5
71.04974	7.1
71.08611	9.2
73.02911	0.8
79.05469	9.5
81.03396	5.9
81.07033	69.3
82.34393	0.5
83.04973	4.8
83.08572	2.0
85.02886	18.9
85.06506	2.3
87.04454	0.5
91.05454	6.7
92.09360	1.0
93.07016	14.1
95.04943	12.4
95.08586	14.0
95.98123	0.5
97.02859	5.7
97.06520	7.5
97.10146	0.6
99.04416	12.8
99.08063	6.5
105.03367	3.0
105.07014	8.3
107.04929	0.6
107.08563	13.2
109.02839	2.1
109.06496	28.3
109.10136	16.7
111.04424	4.1
111.08056	1.1
113.05981	2.5
119.08535	1.2
121.06471	1.1
121.10094	2.3
123.04401	8.5
123.08044	5.2
123.11678	100.0
125.05944	8.2
127.03897	10.8
127.07513	2.1
133.10104	18.3
135.08057	1.2
135.11694	1.0
137.05978	6.2
137.09549	0.8
137.13223	2.7
141.05450	4.7
143.08560	1.1
145.04933	1.2
151.11157	54.2
153.12729	4.2
161.09596	6.4
161.13199	2.7
162.33983	0.5
169.12204	17.8
170.59229	0.5
179.09055	0.6
179.10634	28.5
179.14238	3.1
197.09799	2.6
197.11682	57.5
197.15280	3.6
215.12744	99.7
215.16251	2.7
216.13136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21835	0.2
53.03938	0.9
55.01857	3.3
55.05501	4.6
57.03426	0.9
58.08888	0.2
59.04955	0.3
61.02922	0.4
61.05766	0.2
66.67741	0.2
67.05492	1.2
69.03409	2.2
69.07042	1.1
70.06566	0.3
71.04975	0.9
72.08134	0.4
79.05466	1.8
81.03386	0.5
81.07033	14.5
83.04958	1.3
83.08614	0.3
85.02896	3.0
85.06533	0.9
86.09692	2.0
86.32797	0.2
86.91630	0.2
91.03934	0.2
91.05469	1.7
93.07020	2.2
95.04951	1.0
95.08580	1.4
97.02858	0.9
97.06507	2.0
99.04445	3.0
99.08038	0.3
105.03371	0.5
105.07006	2.9
107.08583	2.7
109.02953	0.2
109.06500	8.4
109.10136	3.2
109.19618	0.2
111.04427	1.0
111.08071	0.9
113.05995	0.3
119.08547	2.4
120.08073	1.2
121.06464	1.2
121.10145	0.5
123.04455	0.3
123.08011	1.0
123.11672	1.1
125.02320	0.3
125.05962	22.7
127.03888	8.8
127.07536	0.3
128.00734	1.1
128.06204	0.4
128.67561	0.2
131.08522	0.3
133.10112	6.1
135.08020	0.4
135.11613	0.5
137.05949	100.0
137.09538	5.9
139.03902	0.2
139.07491	1.8
141.05452	0.3
143.08534	1.9
145.04941	1.0
147.04385	0.9
149.02287	0.9
151.02884	0.3
151.07486	0.3
151.11159	3.2
154.88750	0.2
155.06996	0.3
161.09573	7.6
179.10628	30.9
197.11690	51.9
215.09027	0.2
215.12735	2.0
248.04478	0.3
369.95544	0.2
394.07901	0.5
394.15485	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01862	1.3
55.05511	2.0
57.03423	1.4
61.02909	1.6
67.05486	4.3
69.03418	7.3
69.07063	3.8
71.04967	13.0
74.87529	0.9
79.05475	5.1
81.03417	1.7
81.07037	14.2
83.05003	1.0
83.08622	1.1
85.02100	0.9
85.02892	15.7
85.06539	4.3
90.86105	0.8
91.05447	6.9
93.07024	12.3
95.04971	2.2
95.08580	8.2
97.02876	2.1
97.06512	6.5
99.04428	25.3
105.07013	9.1
106.38031	1.1
107.08569	16.4
109.06511	6.5
109.10144	9.6
111.04424	1.4
111.08068	1.6
113.09628	1.4
117.07059	1.1
119.04933	1.1
119.08559	7.4
120.08115	1.3
121.06479	57.1
121.10115	65.3
123.04403	9.7
123.08069	5.2
123.10883	1.6
123.11686	17.0
125.05967	100.0
127.03906	1.0
133.10100	16.7
135.11722	2.3
137.05972	6.0
137.09590	2.4
139.07533	5.8
139.11171	4.7
141.09094	1.7
142.84250	1.0
143.08560	5.1
143.89163	1.1
145.16794	1.1
149.02328	1.4
150.02690	1.2
151.09944	2.0
151.11162	43.2
161.09616	14.2
161.13269	2.4
169.12228	6.9
179.10638	28.2
179.14290	1.6
197.11690	36.4
197.15337	20.4
197.16994	1.3
215.12761	8.0
232.10561	1.0
234.97583	1.1
250.50648	1.0
257.33533	1.1
278.97586	1.1
290.79544	1.0
323.37653	1.1
394.20291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.84388	0.3
55.01854	1.9
55.05502	3.9
63.50555	0.3
68.05031	0.4
69.03409	0.5
70.99424	0.4
79.05479	0.9
79.70097	0.3
81.07038	10.7
85.02881	0.7
91.05458	0.5
92.04548	0.3
92.08689	0.5
93.06991	0.4
95.04935	0.8
97.06488	0.8
99.04410	1.7
105.06989	0.8
106.65614	0.3
107.08567	0.4
109.06485	6.6
109.10094	0.9
111.08029	0.5
119.08556	0.4
123.11641	0.6
125.05958	19.2
127.03903	6.5
133.10107	3.0
137.05946	100.0
139.07497	0.5
139.42471	0.4
143.08539	0.5
151.11195	0.8
161.09543	4.4
179.10628	25.1
181.21228	0.4
197.11685	34.4
205.08965	0.5
215.12630	0.4
216.08755	11.1
217.09105	14.8
218.10190	0.7
219.10623	0.6
225.06490	0.8
226.06729	1.9
227.07451	0.4
230.10201	0.7
231.10609	0.8
240.08755	4.1
241.09081	10.5
246.09909	0.5
247.10065	0.8
269.08118	0.4
300.10873	0.6
301.11124	6.4
376.14340	0.6
394.15326	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	394.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01850	2.6
55.02032	0.2
55.05495	1.5
57.03423	0.4
61.02892	0.3
67.05500	0.2
69.03410	1.4
69.07018	0.3
73.02885	0.2
79.05461	1.3
81.03387	0.3
81.07034	10.8
83.04949	0.3
85.02869	2.8
85.06491	0.3
91.05435	0.5
93.07008	1.2
97.02855	1.0
97.06473	0.4
99.04408	0.4
105.07006	1.6
107.08571	1.4
109.06502	6.4
109.10114	1.9
110.80708	0.2
111.04426	0.4
113.06042	0.3
119.08548	1.5
121.06493	0.5
123.08080	0.4
123.11702	0.4
125.05959	5.9
127.03882	2.5
133.10097	3.6
137.05951	100.0
137.09549	3.9
143.08534	0.9
151.07558	0.3
151.11201	1.0
161.09596	5.9
168.17744	0.2
179.10629	30.2
197.11690	29.2
209.70599	0.3
215.12770	0.4
306.31314	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82514	0.3
57.03427	0.9
61.02904	2.4
69.03420	3.9
73.02897	0.6
81.03410	0.7
85.02885	12.4
87.04481	0.4
91.05455	8.5
97.02860	4.1
103.05423	0.6
107.04929	0.9
109.02857	0.8
109.06507	0.8
110.64763	0.4
119.04923	27.7
122.03612	2.2
127.03895	1.0
128.89284	0.5
131.04930	0.5
133.02899	0.6
137.05959	100.0
138.46057	0.4
145.04933	0.7
147.04393	53.4
151.07503	2.4
153.05367	0.6
165.05475	2.0
179.07002	30.0
181.08717	0.5
197.08078	13.4
237.28964	0.4
280.00201	0.4
294.93634	0.5
338.14771	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	394.1704
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.4
53.29636	0.4
54.49176	0.3
55.01867	0.6
57.03421	1.6
60.51143	0.3
61.02904	2.1
69.03410	3.4
73.02894	1.0
74.97562	0.4
79.05450	0.7
81.03384	1.8
85.02887	12.1
87.04454	0.8
91.05462	9.0
97.02863	4.1
98.36720	0.5
98.97518	0.5
99.04438	0.5
103.05505	0.4
107.04904	1.9
107.30589	0.4
109.02870	0.9
119.04916	24.3
122.03625	2.0
123.04374	0.5
127.03913	0.8
133.06490	0.5
137.05954	100.0
140.07855	0.5
145.04947	0.9
147.04390	52.5
149.02325	0.8
149.06006	0.6
151.07526	2.5
153.05498	0.4
160.07527	5.5
161.05981	0.6
163.07452	0.5
167.07050	0.7
179.06992	29.7
197.08058	9.9
267.52734	0.5
287.64255	0.4
377.43222	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	6.1
54.24766	1.0
55.01853	1.9
55.05509	17.1
57.07055	7.8
65.03928	2.7
67.05494	29.3
69.06769	1.0
69.07063	13.2
71.04987	1.6
71.08598	1.9
77.03870	1.2
79.05477	39.7
81.07041	57.2
83.04990	1.4
83.08590	5.7
91.05466	57.3
93.07027	72.9
95.04950	47.9
95.08583	40.3
95.09189	2.0
97.06501	5.0
99.64301	1.4
103.05442	5.8
105.07014	100.0
107.08588	35.3
109.06495	9.6
109.10135	18.9
115.05405	3.0
117.06248	1.3
117.07008	24.2
119.08562	77.6
120.08889	1.7
121.06494	20.7
121.10131	32.8
123.08011	4.9
123.11674	2.2
128.06184	11.4
129.06967	14.7
130.07747	8.8
131.08553	45.3
132.09340	1.7
133.06468	1.7
133.10110	36.5
135.08052	6.1
135.11697	10.8
141.06960	10.5
142.07779	24.9
143.08557	29.6
144.09363	9.7
145.10109	59.9
146.07265	2.3
147.08006	5.2
147.11653	16.1
149.02325	14.3
150.02681	9.4
151.02754	2.1
153.06952	5.0
154.07697	1.4
155.08543	11.5
156.09308	11.8
157.10103	34.8
158.10878	3.0
159.08018	2.0
159.11665	27.2
161.09592	9.0
161.13287	1.8
165.06956	5.6
166.07700	1.9
167.08513	8.8
168.09239	1.8
169.10104	18.5
170.10890	6.0
171.11662	16.6
172.12439	1.6
173.13194	12.5
175.11104	3.1
175.14726	8.0
179.08470	6.3
181.10075	9.9
182.10887	6.2
183.11700	11.7
184.12379	1.7
185.13205	8.3
187.11165	1.9
187.14792	6.5
193.10057	6.3
194.10789	2.9
195.11708	6.9
196.12492	1.8
197.13242	9.4
198.13806	1.5
199.14806	7.5
201.16428	2.2
205.10135	2.0
207.11658	2.6
209.13217	5.7
211.14755	5.3
213.16254	1.7
221.13254	2.2
223.14815	2.8
225.16333	2.3
235.14754	2.5
237.16222	1.9
255.17262	2.7
265.19485	1.7
393.27957	2.1
395.98273	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.2479
Annotation	Turpinionoside C
Peak:m/z	Relative Intensity
52.24111	1.5
52.40825	1.3
54.81553	1.4
55.01860	2.9
55.05297	1.3
55.05505	20.3
57.03424	3.0
57.07056	8.0
59.04996	1.6
67.05489	31.3
69.03414	6.9
69.06711	2.6
69.07053	45.6
70.07419	1.3
71.04973	33.1
71.08611	3.4
73.06538	1.4
76.41154	1.3
79.05466	10.7
81.03375	2.8
81.07030	48.9
82.07321	1.4
83.04952	3.1
83.08610	10.9
85.02887	15.6
85.06532	20.5
91.05444	6.3
93.07024	30.4
95.04967	2.7
95.08584	51.8
95.53143	1.4
97.02823	1.9
97.06489	7.5
97.10156	10.3
99.04370	1.5
99.08054	15.1
105.07015	6.2
107.04913	1.5
107.08590	37.8
109.02868	1.4
109.09376	2.7
109.10136	73.1
111.08071	8.1
111.11699	3.1
113.09627	6.2
121.10107	48.1
123.11687	13.8
125.09583	6.4
127.03915	2.3
127.11153	1.8
133.10115	2.0
135.11668	23.2
137.13254	11.3
139.11183	2.7
145.10059	1.6
149.02318	35.7
149.13239	5.5
150.02634	24.9
151.02805	5.8
153.12709	11.6
163.03902	2.0
167.03439	1.8
177.16341	55.1
195.15685	2.4
195.17413	49.4
196.14101	2.0
197.15453	1.6
213.18462	100.0
231.19481	12.5
291.07028	1.8
311.03848	3.2
329.04965	8.2
347.05838	2.3
370.07571	9.6
393.18747	56.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1515
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06555	0.3
68.04998	1.8
76.56806	0.3
81.07043	0.4
92.09398	0.3
98.94579	0.3
107.08591	0.4
121.78133	0.3
124.04992	0.5
125.05935	0.4
130.05000	0.4
137.05899	1.6
140.03404	0.6
146.90508	0.4
149.02347	0.6
149.04533	1.2
150.02701	0.7
166.07181	0.7
172.05936	0.4
179.10526	0.4
189.06413	0.5
195.16678	0.3
201.06384	1.2
202.07245	1.4
203.08015	1.8
204.08807	7.3
214.07259	0.4
215.07980	2.2
216.08771	100.0
217.09464	3.7
218.10333	6.3
225.06410	13.2
226.07191	3.7
227.07953	1.7
228.08673	0.8
229.09518	1.9
230.10329	9.8
240.08749	62.2
241.09494	1.8
246.09804	7.6
255.09741	0.4
258.09824	2.6
268.08246	5.7
272.11401	4.0
283.09332	0.8
300.10855	38.7
311.09012	0.4
333.12994	1.7
343.11429	1.7
348.86182	0.4
361.12582	3.8
375.14078	3.6
393.15085	24.5
394.86389	0.3
406.61636	0.4
417.33392	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.1288
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54345	0.1
56.95587	0.1
56.96564	0.2
57.07060	0.7
58.07399	0.2
61.03226	0.1
63.86118	0.1
67.27804	0.1
69.03409	0.2
70.02927	0.3
71.08617	0.3
79.05468	0.7
80.47104	0.1
83.08559	0.2
85.02902	0.3
85.82289	0.2
88.03967	0.2
89.32962	0.2
91.05452	0.6
93.07037	1.2
95.01307	8.8
95.04955	0.3
96.96905	0.1
99.00777	0.2
100.11225	0.6
103.05448	5.7
107.04935	2.0
112.03939	1.0
120.08084	100.0
121.02869	0.2
121.08425	0.3
126.09123	0.2
130.06468	0.2
131.04913	2.6
149.01149	0.2
149.02327	5.2
149.05943	1.8
149.73946	0.1
150.02661	3.2
150.05507	0.6
151.02893	0.3
166.08607	22.1
182.04475	2.0
196.46901	0.1
210.03925	1.5
228.04929	1.5
233.46143	0.2
237.02962	0.2
245.22720	0.2
393.17419	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	393.0789
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08158	0.7
57.03436	1.0
57.07062	5.8
60.99736	0.7
63.84813	0.9
69.03418	2.1
70.06596	1.2
71.04976	1.2
71.08619	3.4
74.06074	0.9
81.07044	1.5
83.04948	1.2
85.02895	5.0
87.29177	0.8
91.05466	2.0
95.04930	1.3
97.02895	3.2
98.97553	1.3
105.06960	1.0
109.02910	1.1
119.04921	1.1
121.10171	0.9
123.04429	8.8
125.05912	0.8
127.04008	1.1
131.08578	1.0
133.10022	0.8
135.04411	1.9
135.08025	1.0
139.03879	8.1
147.04422	1.8
149.02330	33.6
150.02679	19.1
151.02859	1.7
153.01826	4.1
159.50687	1.0
163.03914	1.6
167.03419	1.3
167.10670	1.0
177.09100	1.0
185.04178	4.5
195.10159	4.1
195.13809	1.0
230.07861	6.7
231.02628	51.9
231.04849	2.0
231.08354	2.0
270.18924	1.0
273.07556	1.1
392.13281	4.5
393.07874	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.2641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
54.29395	0.5
55.01859	2.0
55.05503	7.7
57.03419	0.9
57.07069	5.2
61.02903	1.9
64.09436	0.5
67.05489	4.3
69.03420	5.4
69.07053	18.3
71.04973	3.4
71.08610	3.0
79.05465	5.5
81.03368	1.9
81.07039	18.6
81.07519	0.6
83.04978	0.6
83.08597	11.8
85.02886	17.6
85.06508	3.4
91.05439	2.9
93.07021	18.3
95.08581	35.7
97.02847	4.1
97.10144	9.3
99.08069	23.7
100.33829	0.5
105.07036	4.4
107.04935	0.6
107.08574	47.2
109.02840	1.9
109.06470	0.5
109.10136	11.2
111.08047	10.3
113.09607	2.0
119.08556	1.1
121.02800	0.9
121.10117	75.4
122.10471	0.8
122.14662	0.5
123.04414	2.3
123.08086	0.9
123.11677	2.2
125.09596	6.9
127.03886	2.4
135.11678	15.2
137.13229	8.3
139.11159	1.0
149.02315	21.1
149.09599	2.8
149.13243	5.3
150.02672	7.4
153.05438	0.9
167.03337	0.6
167.10570	0.7
177.09019	1.7
177.16344	100.0
195.10121	1.9
195.13722	1.2
195.17413	18.1
200.61827	0.5
213.11185	4.6
213.16469	0.9
213.18459	26.3
342.57785	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1911
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.9
54.36565	0.4
55.01869	0.9
55.05494	3.0
57.03421	2.1
57.07069	9.8
58.07381	0.6
58.83147	0.4
60.04509	1.1
61.02912	0.8
65.03929	1.1
66.95451	0.5
67.05477	2.1
69.03416	4.9
69.07053	1.1
70.02911	0.5
71.04971	1.2
71.08307	0.5
71.08617	9.8
72.08956	1.0
73.02890	1.1
73.67715	0.5
79.05472	5.2
81.03382	1.3
81.07018	3.2
85.02888	13.3
88.03959	0.7
89.41714	0.5
91.05457	4.8
93.07023	4.2
95.01302	14.6
95.04950	4.6
95.08549	2.5
95.09117	0.6
97.02869	5.2
97.06492	0.7
98.97569	2.9
103.05444	2.7
105.07022	8.1
107.04939	37.5
107.08570	5.9
109.02826	1.2
109.06500	1.0
109.10115	1.2
111.04394	2.9
111.08125	0.7
112.03962	2.0
115.05432	2.9
117.06976	2.6
119.04932	0.9
119.08530	1.2
120.05693	0.6
121.02834	5.4
121.03609	0.5
121.06512	0.7
121.10108	4.3
122.03181	1.2
123.04400	2.0
123.08025	0.9
125.05956	1.1
125.09605	0.8
127.03898	1.1
129.07005	0.6
131.08514	2.4
133.06464	1.2
133.10103	2.5
135.08029	19.4
135.11623	0.8
137.05954	1.0
137.09564	1.1
139.03889	0.9
145.04916	0.8
145.07521	0.7
149.02322	100.0
149.09589	2.7
150.02652	22.1
151.07509	1.2
151.11133	0.6
153.09065	2.1
154.06247	3.7
155.07060	0.6
159.08014	1.0
161.05899	1.1
163.07507	22.6
163.08882	0.9
164.77968	0.5
165.05424	2.9
165.09109	0.9
167.03363	6.6
167.05627	0.9
167.07016	25.8
167.10683	2.3
168.03661	1.1
177.09093	4.5
177.12720	1.1
180.07750	6.2
182.04454	2.5
195.10132	83.8
195.13777	2.3
210.03889	0.9
213.11171	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	392.2637
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87403	0.6
55.01868	0.7
55.05505	7.3
57.03415	0.9
57.07068	9.7
61.02907	1.2
66.20599	0.7
67.05482	3.9
69.03402	3.9
69.07059	15.9
70.98641	0.7
71.04977	3.7
71.08616	6.4
79.05460	5.7
81.03406	1.1
81.06601	1.0
81.07041	17.7
83.04940	0.9
83.08607	10.7
85.02898	12.9
85.06519	4.2
88.65475	0.7
91.05450	4.0
93.07019	17.4
95.04956	1.5
95.08002	1.7
95.08585	36.0
97.02863	1.9
97.10168	6.7
99.04411	1.0
99.08072	13.3
105.06995	4.2
107.04935	3.7
107.08574	45.4
109.02847	0.8
109.10155	11.6
111.08066	6.9
113.09579	1.4
119.08540	1.6
121.02814	3.6
121.10121	66.7
123.11733	1.0
124.03919	6.7
125.09572	7.3
127.03888	1.4
127.95797	0.8
133.10133	1.6
135.08049	0.9
135.11661	15.3
137.13242	6.6
139.11208	1.0
149.02324	62.4
149.05939	0.8
149.09607	1.1
149.13275	5.9
150.02649	21.3
159.11659	1.3
167.03381	3.6
177.16351	100.0
195.13831	7.4
195.17436	16.5
205.74289	0.9
208.39253	0.9
213.14935	0.8
213.18459	23.8
237.32489	0.9
256.40967	0.9
333.47946	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.155
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.8
56.96550	1.3
57.03423	2.6
57.07069	9.2
58.07398	0.6
61.02917	7.9
65.03918	2.9
67.05466	0.7
69.03421	4.3
71.08614	11.0
72.08916	0.5
74.09672	0.6
74.10056	0.5
76.02203	3.0
79.05474	8.9
80.48320	0.6
81.03395	2.4
84.04488	1.3
85.02889	12.2
85.06507	0.6
91.05455	3.1
93.03377	3.8
94.53086	0.5
95.04919	1.2
97.02890	4.1
104.25111	0.5
105.07043	1.2
107.04939	20.3
109.02856	0.9
109.06500	0.8
110.02921	0.7
110.03640	14.4
111.04432	9.2
116.47107	0.5
117.03681	4.5
119.04936	1.3
121.02840	4.9
121.06483	7.6
125.05963	63.0
127.03896	0.7
133.02818	8.3
135.04391	23.2
137.05974	4.1
141.05444	2.4
145.04947	0.7
147.04399	2.5
149.02322	100.0
149.05954	19.7
150.02644	17.3
151.03882	75.5
151.04953	4.2
153.05458	14.6
154.08641	2.2
163.03891	8.0
165.05441	33.4
167.03369	5.2
167.07004	16.6
168.03680	1.1
177.05428	23.2
193.01482	0.7
194.97350	5.2
195.06497	18.7
211.97598	3.3
212.98460	7.9
213.07538	91.3
217.98946	3.0
230.13783	6.4
235.99998	0.8
237.00580	2.6
237.02736	0.8
245.09474	2.5
255.01636	2.7
273.02737	3.0
294.01498	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.4
53.03905	0.4
55.01844	2.0
57.03416	1.5
57.07071	2.9
61.02905	1.5
67.05457	0.6
69.03410	3.3
71.08607	3.1
77.53602	0.4
79.05479	4.8
81.03398	0.9
85.02888	14.3
91.05450	2.2
93.06995	0.5
95.01302	0.4
95.04945	2.4
97.02879	3.5
99.02386	0.4
99.04417	0.5
103.05463	5.0
105.07001	4.9
107.04940	59.1
107.08572	0.8
109.02864	0.9
109.06483	0.5
113.83007	0.4
114.23752	0.4
115.05439	2.6
115.19773	0.4
117.06968	1.6
119.01765	0.4
120.05703	1.0
120.08099	0.5
121.02800	0.5
121.06476	0.5
123.04375	0.7
124.05167	1.9
125.05976	0.6
125.09567	0.9
127.03894	0.9
131.04878	2.4
133.06456	0.6
135.08025	19.9
137.05939	1.9
145.04977	1.6
145.07578	1.9
147.04369	0.8
149.02316	26.9
149.05954	0.5
149.09593	0.6
150.02640	5.7
151.03931	0.4
151.07507	2.2
152.04652	0.7
154.06219	3.5
162.06664	0.5
163.07507	38.0
167.07001	100.0
179.79924	0.4
180.07756	4.6
181.08612	0.8
183.99286	0.4
195.10130	50.3
199.41698	0.5
213.11179	53.1
216.70341	0.5
278.20615	0.4
392.19641	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.3
53.03941	0.4
55.01615	0.3
55.01870	1.4
56.96568	0.3
57.03431	0.8
57.07067	9.0
58.07407	0.5
60.49576	0.3
61.02925	1.9
63.45657	0.3
63.50508	0.3
65.03936	1.6
69.03416	3.1
71.04984	0.7
71.08617	8.8
72.08961	0.6
73.02877	0.5
78.04684	0.4
79.05485	1.9
81.03383	2.6
81.07037	0.8
81.87101	0.4
85.02896	9.8
91.05489	1.5
93.03365	0.6
93.07033	1.5
95.04953	0.6
97.02859	4.0
99.04459	0.4
105.07018	0.5
106.04197	0.5
107.04943	9.8
107.08585	2.9
109.02843	0.7
109.06509	3.4
111.04430	0.9
117.06971	0.5
119.04928	1.6
119.08610	0.7
121.02846	16.3
121.03780	0.6
121.06522	0.5
121.10155	0.5
123.04424	2.4
124.05154	0.8
125.06017	0.6
127.03867	1.4
131.08557	0.6
135.04375	1.9
135.08075	0.7
137.05959	16.4
139.03883	0.7
139.07515	0.9
145.04929	1.9
147.04372	1.9
149.02324	96.5
149.09651	2.6
150.02649	18.3
151.03917	0.5
151.07518	1.9
152.04750	1.3
153.05447	14.1
154.78177	0.4
163.03876	5.3
165.05435	2.3
167.03372	5.7
167.07005	100.0
168.03622	0.5
168.07336	1.5
177.05406	0.5
177.09087	1.9
181.04959	3.5
195.06497	23.1
195.10074	3.4
198.05255	0.5
213.07550	28.0
213.11018	6.0
235.46188	0.4
237.00621	0.6
247.04161	0.5
273.02731	0.5
303.81210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	392.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66833	0.2
53.03940	0.5
53.15268	0.2
53.47396	0.2
55.01869	0.9
55.05510	0.4
56.96547	0.2
57.03433	0.9
57.07063	6.7
58.07399	0.5
61.02911	1.6
65.03932	0.9
69.03416	3.8
70.06575	0.9
71.04963	0.4
71.08606	5.6
72.08960	0.9
73.02900	0.4
78.44196	0.2
79.05495	1.3
80.91152	0.2
81.03388	1.2
81.07029	0.5
83.15366	0.2
85.02882	8.5
86.09694	0.4
91.05466	1.5
93.03394	0.3
93.07008	1.2
94.04179	0.3
95.04947	0.3
95.08587	0.3
97.02864	2.7
97.06520	0.3
105.07014	0.9
107.04926	4.1
107.08564	2.9
109.02812	0.5
109.06517	0.5
109.10162	0.4
111.04436	0.4
115.03919	0.4
117.03353	0.5
117.07011	1.3
119.08542	1.3
121.02845	3.1
121.03701	0.3
121.10097	2.0
122.03618	1.5
123.04374	0.5
123.08070	0.5
125.05994	0.3
125.73177	0.2
127.03901	2.0
131.08522	1.3
133.10130	0.2
135.04370	2.0
135.07999	2.2
136.07634	0.2
137.05948	15.4
137.09628	0.3
138.94370	0.2
139.07512	0.5
145.02814	1.9
145.04936	0.5
147.04391	0.3
147.08012	1.0
149.02310	62.1
149.09615	2.6
150.02644	11.6
153.05492	0.3
153.09096	0.5
155.07008	0.5
159.07993	0.3
163.03790	0.9
163.07471	1.3
165.06578	0.9
165.09081	1.7
167.03354	4.2
167.06989	100.0
168.03703	0.5
173.74997	0.2
177.07697	0.3
177.09076	4.8
180.08592	0.4
184.05904	0.2
195.06461	2.0
195.10100	2.8
213.07655	4.4
213.11147	12.8
237.00586	0.5
255.01778	0.3
274.48209	0.2
359.39938	0.3
391.18314	3.8
392.18564	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	392.1547
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00278	0.3
53.03941	0.4
55.01615	0.3
55.01870	1.4
56.96568	0.3
57.03431	0.8
57.07067	9.0
58.07407	0.5
60.49576	0.3
61.02925	1.9
63.45657	0.3
63.50508	0.3
65.03936	1.6
69.03416	3.1
71.04984	0.7
71.08617	8.8
72.08961	0.6
73.02877	0.5
78.04684	0.4
79.05485	1.9
81.03383	2.6
81.07037	0.8
81.87101	0.4
85.02896	9.8
91.05489	1.5
93.03365	0.6
93.07033	1.5
95.04953	0.6
97.02859	4.0
99.04459	0.4
105.07018	0.5
106.04197	0.5
107.04943	9.8
107.08585	2.9
109.02843	0.7
109.06509	3.4
111.04430	0.9
117.06971	0.5
119.04928	1.6
119.08610	0.7
121.02846	16.3
121.03780	0.6
121.06522	0.5
121.10155	0.5
123.04424	2.4
124.05154	0.8
125.06017	0.6
127.03867	1.4
131.08557	0.6
135.04375	1.9
135.08075	0.7
137.05959	16.4
139.03883	0.7
139.07515	0.9
145.04929	1.9
147.04372	1.9
149.02324	96.5
149.09651	2.6
150.02649	18.3
151.03917	0.5
151.07518	1.9
152.04750	1.3
153.05447	14.1
154.78177	0.4
163.03876	5.3
165.05435	2.3
167.03372	5.7
167.07005	100.0
168.03622	0.5
168.07336	1.5
177.05406	0.5
177.09087	1.9
181.04959	3.5
195.06497	23.1
195.10074	3.4
198.05255	0.5
213.07550	28.0
213.11018	6.0
235.46188	0.4
237.00621	0.6
247.04161	0.5
273.02731	0.5
303.81210	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.3202
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60063	0.4
53.00288	0.7
53.03930	3.0
55.01863	6.7
55.05506	10.0
57.03425	3.9
57.07066	16.5
65.03915	0.7
67.05479	2.2
67.58247	0.4
69.07053	22.4
71.08613	12.5
71.48074	0.4
81.03397	8.9
81.07018	2.7
83.08606	11.6
85.03905	0.4
85.10166	3.9
92.08634	1.4
93.07014	0.7
95.08591	3.5
97.10139	4.9
99.04409	0.7
107.08553	0.7
109.02863	16.8
109.06466	0.7
109.10140	4.5
111.11684	2.8
115.03925	4.4
121.02855	5.0
121.06450	0.6
121.10122	0.5
123.04389	1.0
123.11681	1.1
125.13236	0.4
127.03890	65.5
138.55647	0.4
141.05447	2.5
145.05009	0.7
149.02318	100.0
149.09615	0.7
150.02652	0.6
163.84900	0.4
167.03381	6.1
169.08569	2.7
183.10127	5.8
195.10123	2.7
197.11699	2.6
209.11697	0.8
211.13229	0.8
220.51906	0.5
223.13319	0.6
225.14767	1.9
226.48529	0.4
230.21202	0.6
237.14870	0.7
239.16379	1.0
251.16437	1.9
253.17924	2.0
265.17944	2.1
267.19510	1.0
279.19537	0.9
281.20984	0.5
321.24084	1.0
335.25800	0.7
391.27670	1.2
391.31976	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	391.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77648	0.3
53.03928	0.5
54.81846	0.3
55.05504	2.6
57.03417	2.0
57.07067	9.4
59.04972	0.3
60.06123	0.3
61.02906	0.9
65.03899	1.4
65.46479	0.3
67.05492	3.3
69.03413	2.8
69.07047	6.9
70.19823	0.3
71.04975	3.6
71.08241	0.6
71.08609	11.3
72.08111	0.5
73.06542	0.4
74.30843	0.4
79.05466	2.0
81.07031	10.9
83.04942	1.3
83.08588	2.2
85.02892	7.5
85.06504	0.7
87.04438	1.4
91.05453	4.1
92.08168	0.3
92.64622	0.5
93.07009	7.0
95.04934	0.5
95.08575	16.5
97.02863	1.4
97.06480	3.1
97.10135	0.5
99.04458	0.6
99.08055	1.2
101.05965	0.6
103.05460	0.6
105.03326	0.6
105.07013	13.6
106.07314	0.6
107.04874	0.6
107.08567	8.3
109.02870	0.4
109.10126	5.6
111.04391	0.4
111.08054	1.6
115.07521	4.2
119.08555	24.0
121.02820	4.5
121.10117	4.8
123.08016	0.8
123.11661	2.5
125.05972	0.8
125.09660	0.5
127.03843	0.6
127.07522	2.1
129.61218	0.4
130.04031	0.6
131.04915	0.8
131.08569	0.7
133.06465	0.4
133.10101	17.1
134.06792	0.7
135.11656	4.4
137.05957	2.6
137.13229	3.1
141.09055	0.5
147.04370	2.0
147.11682	4.3
149.02315	100.0
149.13194	1.9
151.11171	0.5
153.05394	2.5
161.05902	1.8
162.06572	1.7
163.14763	1.8
165.05453	0.4
167.03357	6.3
175.14772	28.6
177.05450	0.7
193.12157	0.6
193.15842	15.4
194.08949	0.4
201.07117	0.4
211.13322	1.4
211.16888	6.1
218.35780	0.4
229.17946	7.6
256.18381	0.4
330.77304	0.4
341.10117	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1957
Annotation	(-)-11-hydroxy-9,10-dihydrojasmonic acid 11-beta-D-glucoside
Peak:m/z	Relative Intensity
53.00307	0.2
54.40810	0.2
54.86281	0.2
55.01853	0.4
55.05496	1.2
57.03419	0.7
57.06247	0.2
57.07065	9.3
59.10942	0.2
61.02903	0.4
61.07681	0.2
65.03917	1.1
67.05486	2.1
68.51876	0.2
69.03399	1.9
69.07050	1.9
71.04974	2.9
71.08611	9.3
73.02876	0.4
74.23788	0.2
79.05476	2.4
81.03387	0.9
81.07034	4.7
83.04951	1.1
83.08603	0.4
85.02882	5.0
85.06515	1.1
86.09661	0.3
87.04462	0.2
91.05453	7.0
92.63802	0.2
93.03385	0.3
93.07016	3.7
95.04932	1.3
95.08579	3.6
97.02837	1.4
97.06498	1.1
99.04427	0.5
99.08064	0.3
101.02344	0.2
105.07005	12.1
107.04912	0.4
107.08569	7.7
109.02848	0.8
109.06494	0.9
109.10152	1.8
111.08004	0.2
111.76190	0.2
113.05961	0.2
113.13251	0.4
115.07539	0.2
116.68228	0.2
117.06992	0.5
119.08552	6.4
120.08864	0.3
120.69904	0.2
121.02839	5.4
121.03824	0.4
121.10115	9.2
123.08013	0.5
123.11648	1.4
125.05972	0.3
125.09602	0.4
127.03885	0.7
130.06470	1.4
131.05046	0.2
131.08536	3.5
132.04373	0.2
133.10097	37.4
134.10529	0.2
135.08002	0.9
135.11678	0.8
137.05949	1.0
137.09575	1.0
138.09930	0.3
141.09076	0.3
145.04893	0.3
145.10130	0.4
147.11662	17.5
149.02313	100.0
149.09596	13.3
149.13272	0.3
151.11151	2.0
157.07578	0.4
157.10120	0.9
164.13129	0.2
165.05440	0.5
165.12708	15.4
167.03366	5.2
167.10526	0.6
175.11140	3.3
175.14780	2.7
193.12186	17.1
193.15805	2.1
194.12494	0.3
196.64362	0.2
211.13245	35.4
211.16757	1.0
212.13591	0.3
229.08578	0.9
229.14285	3.1
229.17885	0.3
243.07550	0.2
262.23636	0.2
292.69543	0.2
375.09045	0.2
391.19193	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1934
Annotation	Meclizine
Peak:m/z	Relative Intensity
50.96023	0.2
51.02356	0.2
55.01851	0.5
55.05489	1.2
57.07064	9.0
59.04990	0.3
64.02723	0.2
65.03916	1.5
67.05490	0.5
67.80424	0.2
68.99765	0.4
69.03418	0.4
69.07037	0.2
71.04965	0.8
71.08243	0.3
71.08615	8.7
77.03919	0.4
79.05484	0.3
81.03374	0.2
81.07040	0.4
81.61614	0.2
83.04962	0.5
85.02887	0.4
85.14159	0.2
91.05470	0.8
93.03366	1.0
93.07015	0.5
95.04932	1.3
95.08576	0.4
97.06472	0.4
99.04435	1.3
105.03360	0.8
105.07027	1.3
106.07330	0.4
107.08558	0.3
109.10165	0.3
109.38949	0.2
111.00753	0.5
111.04420	2.2
119.04909	1.0
119.08559	0.5
120.08897	0.3
121.02856	4.3
123.04403	72.9
123.11655	0.3
124.04662	0.4
124.57296	0.2
125.05968	0.3
125.09566	0.3
127.03927	0.3
133.10127	1.4
134.10477	1.1
135.04396	0.9
139.03880	52.4
140.04291	0.3
147.04379	4.3
147.11674	0.4
148.12009	0.3
149.02318	100.0
151.03870	3.3
161.06015	0.4
162.24950	0.2
163.03886	1.1
163.07617	0.3
165.05476	0.8
167.03377	6.3
175.11150	0.4
179.53525	0.3
189.05438	0.4
193.12245	1.0
194.12607	0.8
200.34857	0.2
220.60799	0.2
229.14058	4.1
273.07492	7.1
273.10233	0.4
391.19290	47.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	391.1383
Annotation	Unknow
Peak:m/z	Relative Intensity
51.21991	0.2
53.15265	0.2
55.01853	0.3
55.05494	1.0
57.03415	0.2
57.07068	9.9
59.04981	0.4
65.03934	0.9
67.05474	1.1
68.99760	0.5
69.03400	0.3
71.04990	0.9
71.08243	0.4
71.08616	9.2
71.18823	0.2
71.75848	0.2
74.03576	0.2
79.05484	0.4
81.07030	0.6
82.59916	0.3
83.04966	1.0
85.02872	0.4
88.62487	0.2
91.05445	0.3
93.03381	0.5
93.06998	0.8
94.28552	0.2
95.04953	1.0
95.08587	0.4
97.47234	0.2
99.04426	1.8
105.03359	0.5
105.07012	1.6
106.07343	0.2
107.08628	0.4
109.10191	0.3
111.00762	0.3
111.04398	1.8
113.13276	0.4
119.04863	0.3
119.08549	1.0
121.02841	5.4
121.03820	0.8
123.04406	51.9
133.10129	1.9
134.10481	0.6
135.04437	0.5
139.03882	40.0
147.04399	3.0
147.11670	0.9
149.02322	100.0
151.03900	2.7
157.10152	0.4
163.03847	0.3
165.05452	0.3
167.03369	6.0
175.11176	0.5
175.14827	0.4
189.05350	0.3
193.12178	0.9
229.14091	2.9
234.10815	0.3
247.17174	0.3
273.07574	4.2
282.69281	0.3
391.19296	28.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.3573
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.4
55.05504	1.0
56.96557	0.8
57.07068	13.3
58.06603	3.1
59.84869	0.3
61.02900	0.5
67.05471	1.8
68.05015	0.6
69.07034	1.5
70.06577	32.2
71.08613	7.5
72.08137	3.3
79.05485	1.7
81.07035	1.5
84.08125	3.5
85.10179	0.9
86.09691	6.6
88.07611	8.4
89.05992	0.5
91.05456	1.0
92.09277	1.0
93.07000	0.7
102.09179	4.4
102.31717	0.4
103.39335	0.4
105.07024	0.8
107.08540	0.5
114.09146	0.9
121.02834	0.8
129.08673	0.4
132.10175	14.7
133.09213	0.4
133.10204	0.5
146.11737	14.0
149.01125	0.8
149.02315	21.6
149.03458	0.9
167.03380	1.8
240.26819	3.3
243.45831	0.4
266.28360	1.9
267.08844	0.5
269.12317	2.1
284.29416	13.3
285.10007	1.8
286.10321	1.0
328.32040	65.1
372.34879	0.6
390.35696	100.0
391.36169	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.248
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81829	1.3
55.01853	2.4
55.05502	16.7
56.96533	1.5
57.03413	2.6
57.07059	7.4
61.77921	1.2
62.23728	1.2
67.05486	21.0
69.03397	11.4
69.07046	19.2
71.04609	1.9
71.04974	48.7
71.08611	3.4
79.05461	17.2
81.03385	1.5
81.07034	69.9
82.07341	1.6
83.04956	6.8
83.08594	9.8
85.02875	14.4
85.06525	35.3
87.04449	2.2
91.05443	11.9
93.07019	46.2
95.04907	2.2
95.08006	2.6
95.08576	61.1
97.02865	2.9
97.06492	9.1
97.10130	6.5
99.08065	81.2
103.01511	1.5
105.06999	27.8
107.04933	3.3
107.08567	52.0
107.35498	1.5
109.06482	2.7
109.10130	31.5
111.08080	10.8
112.25689	1.4
114.92607	1.3
115.82289	1.4
117.06964	1.6
119.08560	33.6
121.02906	1.9
121.10115	30.3
122.10495	1.9
122.17580	1.7
123.08026	5.3
123.11679	21.5
128.02545	6.4
133.10097	47.6
135.11674	23.8
137.09557	9.5
141.09106	1.6
147.11668	22.8
149.01242	2.3
149.02312	34.4
149.13226	34.1
151.11153	7.4
159.11687	1.7
159.25516	1.5
163.14780	41.2
165.12714	3.1
175.14795	25.8
181.15826	26.0
193.12132	3.6
193.15836	100.0
211.13622	1.7
211.16885	62.8
228.07825	1.8
390.26459	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1751
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.4
54.81926	0.2
55.01843	0.3
55.05501	0.6
57.03406	1.3
59.71809	0.2
61.02900	1.2
67.05477	0.5
69.03414	3.0
71.04976	0.4
73.02918	0.4
79.25677	0.2
81.03387	1.4
81.07011	0.3
83.04987	0.3
83.08596	0.2
85.02886	12.0
91.05479	0.3
92.08697	0.5
97.02878	3.2
99.04440	0.6
105.06976	0.3
107.08554	1.0
109.02876	1.1
109.10139	2.1
118.43973	0.2
119.08562	1.2
121.10111	0.4
121.60965	0.2
123.08018	1.2
127.03860	1.2
135.08028	1.1
137.08626	0.4
137.09602	6.4
145.00954	0.3
145.04974	1.0
147.04395	0.4
147.08031	4.7
148.04727	0.3
149.09598	1.7
151.07530	1.1
163.07507	0.3
165.09077	100.0
166.09409	0.5
175.07509	3.3
180.08536	0.4
191.06952	0.4
193.08559	15.8
209.15341	0.6
211.09624	18.6
228.12543	0.4
281.10086	0.4
288.31454	0.3
316.53293	0.3
357.49207	0.3
389.17786	4.0
390.13052	0.6
390.18073	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	390.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.55970	0.2
55.01853	0.3
55.05497	0.6
56.51958	0.2
56.65978	0.2
57.03428	1.2
61.02904	1.2
61.33631	0.3
64.86108	0.2
67.05490	0.5
69.03416	3.0
69.07040	0.3
71.04977	0.5
73.02882	0.3
78.99651	0.3
81.03393	1.5
81.07050	0.4
83.08627	0.5
85.02892	15.1
86.09718	0.3
91.05476	0.7
93.07043	0.4
95.04948	0.4
95.08535	0.3
97.02893	2.9
97.06509	0.3
99.04423	0.4
99.63264	0.3
107.04934	0.4
107.08574	0.7
109.02839	0.7
109.06484	0.4
109.10129	2.0
110.06846	0.3
111.08038	0.4
119.04900	1.2
119.08538	1.8
121.10126	0.6
122.07250	0.3
123.08008	1.5
127.03886	2.0
133.10124	0.6
135.08009	0.6
137.09602	7.1
145.04997	0.5
147.04411	3.9
147.08005	4.1
147.11650	0.6
148.04771	1.1
149.02335	1.3
149.04926	1.4
149.09590	1.2
151.07539	1.4
161.02267	0.4
161.57710	0.3
165.09082	100.0
166.09372	0.5
167.06958	0.4
175.07475	2.9
186.06793	0.3
191.06985	0.4
191.14273	0.4
193.08574	19.2
200.72084	0.3
209.15355	1.6
210.15639	1.5
211.09622	17.7
223.09932	0.3
227.16335	0.5
228.12283	0.6
259.16644	0.4
390.18011	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1749
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03398	0.7
61.02887	1.8
67.05489	1.0
69.03419	3.0
81.03398	0.7
85.02442	0.7
85.02895	12.4
88.59558	0.4
95.45276	0.4
97.02843	2.2
109.02829	0.8
109.10091	2.0
119.08574	0.6
123.08036	0.5
127.03906	1.8
137.09595	6.7
147.04391	2.2
147.08040	4.3
148.04749	0.5
149.04831	0.6
149.09593	1.0
151.07501	1.5
165.09076	100.0
175.07547	3.3
184.57658	0.4
193.08571	22.4
211.07629	0.6
211.09628	18.4
213.08989	0.4
215.50414	0.5
227.12566	0.8
228.12679	0.5
341.87543	0.4
389.17676	6.5
390.18094	24.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	390.1238
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	1.4
55.01870	4.2
55.05489	0.6
56.96560	0.6
57.03426	8.4
59.04978	0.6
61.02911	13.4
69.03416	24.0
71.04965	3.4
73.02898	16.4
77.76146	0.5
79.81438	0.5
81.03392	10.0
83.01332	3.2
85.02891	100.0
87.04455	5.7
91.03944	7.9
97.02874	28.8
98.97568	0.8
99.00819	0.6
99.04413	5.7
101.02362	14.4
103.03886	0.7
109.02863	8.8
111.00763	1.3
111.04411	2.5
113.02351	0.8
113.73215	0.5
115.03925	2.6
119.03398	0.8
127.03892	23.6
129.01816	3.6
129.05450	2.3
131.00220	0.7
131.03357	5.5
133.04953	0.9
139.03893	1.4
145.04936	32.0
147.02872	5.8
147.06480	0.7
157.01291	1.1
157.04922	4.0
163.03880	2.7
163.05988	10.6
165.03940	2.7
175.02330	5.3
175.06052	1.0
193.03467	5.4
193.07021	8.3
200.92453	0.6
232.80888	0.6
277.09988	0.7
304.18323	0.6
326.38995	0.7
337.07687	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	389.2168
Annotation	Foliasalacioside A1
Peak:m/z	Relative Intensity
53.03912	1.3
55.01850	5.0
55.05504	12.1
56.90209	0.7
57.03419	7.9
57.07066	5.8
59.04980	3.5
59.61786	0.7
61.02894	1.6
64.18694	0.7
65.03932	0.7
65.93750	0.6
67.05492	13.9
67.41519	0.7
68.99760	1.1
69.03417	11.8
69.07052	21.0
71.04965	7.6
79.05051	1.1
79.05474	14.8
81.03392	4.3
81.07040	32.8
81.07519	1.1
83.04966	12.9
83.08601	10.6
85.02888	18.9
85.06521	11.6
86.49495	0.7
91.05458	15.0
93.07023	46.9
95.04945	10.9
95.08582	38.6
97.02864	4.3
97.06496	10.3
97.10152	1.5
99.04420	3.0
99.08069	24.4
105.07015	20.8
107.04934	12.5
107.08577	87.1
109.02857	1.2
109.06500	22.8
109.10141	28.8
109.10854	1.6
111.04423	0.8
111.08058	11.7
113.09595	0.7
117.06963	4.6
119.08551	11.0
121.06483	29.6
121.10116	66.5
123.08035	33.1
123.11674	8.3
125.05990	3.9
125.09588	14.5
127.03877	0.8
129.06938	1.6
131.07631	1.4
131.08553	26.1
133.10098	38.3
135.08031	25.9
135.11696	7.8
137.09578	13.9
139.07520	4.1
139.11139	3.7
144.09288	1.1
145.10080	8.0
147.11644	13.0
149.09599	95.2
149.13229	31.8
151.11157	42.0
153.09073	13.1
158.10844	3.0
161.35704	0.9
163.11148	4.1
163.13376	1.1
163.14775	32.8
167.10500	0.8
173.13219	35.5
191.14272	76.7
209.15334	100.0
223.60303	0.8
227.16365	1.2
316.59460	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
55.05500	5.3
57.03424	10.8
57.07056	3.1
59.04997	2.0
61.02894	3.9
65.71938	1.9
67.05489	11.3
68.92632	1.8
69.03419	16.2
69.07061	11.7
71.04969	10.1
79.05487	9.9
81.03408	2.3
81.07033	32.3
83.08601	13.4
85.02895	48.3
85.06531	9.4
91.05474	10.5
93.07027	23.8
95.04943	31.8
95.08577	22.2
97.02875	5.4
97.06511	49.5
99.04433	12.2
99.08075	10.5
105.07020	42.8
107.08578	35.5
109.02866	3.4
109.06498	100.0
109.10146	28.2
111.08086	9.8
113.09531	2.4
115.07555	5.1
117.06948	2.7
119.08573	24.8
121.10116	36.9
123.08060	12.5
123.11699	5.5
125.09621	4.2
127.03963	3.3
127.07536	2.4
131.08540	25.7
133.10106	90.5
135.08008	18.1
135.11691	3.5
143.08475	3.0
145.10112	8.5
147.11650	56.0
149.13255	4.2
151.11156	9.9
153.09096	22.8
158.10867	3.8
163.14783	10.4
173.13210	43.6
191.14261	44.9
209.15346	85.5
227.16336	51.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2164
Annotation	Turpinionoside E
Peak:m/z	Relative Intensity
53.03915	1.7
53.12379	1.1
55.01847	1.4
55.05504	8.3
57.03418	8.9
57.07058	2.4
58.28263	1.1
61.02915	2.6
66.90982	1.1
67.05495	7.1
69.03409	8.9
69.07043	12.2
71.04979	9.3
79.05473	8.0
81.07033	21.7
83.04962	3.3
83.08604	6.9
85.02885	29.2
85.06522	6.9
86.44130	1.5
91.05462	5.9
93.07007	17.2
95.04939	62.8
95.08586	13.3
97.02854	6.9
97.06505	40.9
99.04433	10.2
99.08061	6.5
105.07005	30.0
107.08568	25.5
109.02889	1.4
109.06501	80.8
109.10146	16.2
111.08054	5.1
115.07571	17.1
117.06956	1.4
119.08549	15.5
121.10121	29.2
123.08054	8.0
123.11631	2.6
125.09618	2.5
127.03899	2.1
127.07559	5.3
128.56686	1.4
131.08539	15.9
133.10097	65.6
135.08015	10.0
135.11740	2.6
139.11183	2.2
145.02896	1.6
145.10094	6.8
147.11670	35.8
149.13295	6.9
151.11188	5.1
153.09067	25.8
158.10890	2.9
163.03966	1.9
163.14755	10.4
165.12727	6.1
167.14301	1.7
171.10158	3.1
173.13211	30.1
191.14276	35.0
209.15309	55.5
227.16379	36.3
252.75925	1.3
277.39880	1.3
295.78812	1.3
389.17783	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.85936	1.7
55.01869	2.7
55.05490	15.3
57.03427	9.3
57.07046	3.7
59.05001	2.0
61.02912	5.1
61.08274	2.1
64.32949	2.3
66.09926	1.8
67.05492	19.5
67.99060	2.0
69.03422	20.6
69.07057	26.9
70.06580	7.9
71.04984	8.5
73.02900	2.3
74.99794	1.9
79.05478	25.9
79.85787	2.0
81.03380	3.3
81.07033	67.4
83.04968	18.1
83.08617	4.4
85.02889	79.5
85.06532	5.0
87.04449	9.3
91.05467	21.6
93.07018	68.2
95.04961	10.5
95.08585	63.3
95.09190	2.2
97.02875	14.0
97.06516	13.0
99.04409	3.9
99.08056	4.3
105.07031	27.2
107.04944	3.1
107.08575	52.4
109.02847	4.9
109.06506	16.3
109.10131	33.4
111.04415	3.8
111.08121	3.6
111.11713	3.6
117.06993	3.4
119.04933	9.4
119.08533	19.2
120.05286	5.0
121.06535	3.0
121.10120	91.2
123.04358	3.6
123.08051	78.7
123.11681	70.9
123.12543	3.5
127.03828	14.8
127.07558	9.8
131.08521	11.1
133.06491	2.7
133.10088	20.2
135.08095	4.6
135.11681	7.9
137.05974	2.7
137.09607	13.1
139.03870	20.5
139.11183	10.4
141.09087	17.0
145.04977	8.8
145.10110	4.7
147.04346	17.7
147.11688	17.9
148.04732	24.3
149.09583	40.8
149.13240	18.0
151.11151	49.5
153.09061	20.5
154.09900	10.4
155.10669	8.4
161.13261	9.6
163.05959	4.2
163.14783	3.4
165.12720	13.8
167.10646	100.0
173.13245	13.0
177.05460	4.7
178.05838	13.4
179.03415	10.6
191.14307	19.1
193.08684	3.1
205.04909	3.1
206.05281	4.9
209.15326	88.2
227.16357	41.4
233.97813	2.2
236.09044	2.4
355.40469	2.5
389.17514	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	389.2165
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03939	1.9
55.01868	1.4
55.05498	14.7
57.03425	8.6
57.07049	3.6
59.04979	2.9
61.02898	6.3
61.15109	1.6
67.05501	15.7
69.03415	15.5
69.07052	22.3
70.06567	3.5
71.04967	6.1
79.05476	17.7
81.03397	2.6
81.06596	2.5
81.07040	59.1
83.04956	15.1
83.08576	2.7
85.02890	52.2
85.06526	2.5
86.09699	1.8
87.04441	10.4
88.92919	1.4
91.05449	16.2
93.07026	69.0
95.04945	9.3
95.08586	39.4
97.02842	11.3
97.06512	3.7
99.04424	2.9
99.08065	3.6
105.07005	23.1
107.04936	2.2
107.08586	46.7
109.02879	2.9
109.06510	13.0
109.10120	27.4
111.08067	3.3
111.11726	5.8
117.06947	1.9
119.04917	8.3
119.08586	14.1
120.05281	3.4
121.06461	5.4
121.10121	84.5
122.74812	1.7
123.08052	50.7
123.11679	65.4
127.03893	8.7
127.07540	3.8
131.08534	6.9
133.10081	12.0
135.08023	8.2
135.11703	2.0
135.95955	1.5
137.05943	2.7
137.09581	8.3
139.03857	11.0
139.11128	8.5
141.09093	11.2
145.04951	5.5
145.10054	3.1
147.04399	15.2
147.11661	12.9
148.04671	18.5
149.09622	27.5
149.13240	11.8
151.11154	42.2
153.09081	8.8
154.09883	10.1
155.10623	2.4
158.10956	1.8
161.13257	6.8
163.06033	2.6
163.14821	3.2
165.12743	10.4
167.10637	100.0
167.12071	3.3
173.13229	6.3
177.05423	14.7
178.05775	9.8
179.03355	6.0
191.14310	14.2
205.04846	2.4
209.15340	52.8
209.63522	1.7
227.16376	45.0
237.09529	3.0
312.00391	1.6
389.17545	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2165
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03926	1.6
55.01857	1.1
55.05268	1.2
55.05506	23.6
55.77202	1.0
57.03424	8.8
57.07073	1.9
59.04975	1.9
61.02909	1.8
67.05486	7.4
67.14929	0.9
69.03415	9.7
69.07055	9.0
71.04974	11.4
71.08617	1.0
72.08141	2.1
73.02892	1.1
76.56101	1.1
79.05466	5.5
81.03410	2.6
81.07040	16.7
83.04953	17.1
83.08592	16.7
85.02884	22.5
85.06531	4.6
86.09650	1.6
91.05457	7.5
92.64065	1.1
93.07014	16.9
95.04938	12.7
95.08591	15.9
97.02866	5.7
97.06510	11.1
97.10131	2.6
98.97547	1.3
99.04439	10.1
99.08066	1.8
105.07006	16.3
107.08574	26.9
109.02883	2.0
109.06485	10.7
109.10148	19.7
111.08033	9.8
111.11694	1.2
115.19125	1.1
119.04946	6.6
119.08537	10.7
120.05250	2.5
121.06528	4.3
121.10119	29.8
123.08047	31.2
123.11692	6.1
125.09587	4.6
127.03900	2.5
129.06921	1.4
131.08536	13.9
133.10098	44.6
135.08040	2.8
135.11638	10.2
137.09633	4.7
139.11160	5.7
140.00705	1.2
143.08572	1.9
145.10133	6.5
147.04370	16.2
147.08003	2.1
147.11649	23.0
148.04712	15.6
149.09618	5.2
149.13225	15.3
151.11157	18.0
153.09093	4.3
158.10881	2.3
163.11185	1.2
163.14798	7.4
163.28816	1.4
165.09058	30.9
165.12679	9.0
167.14270	16.2
173.13240	19.9
191.14272	25.5
193.08597	6.5
209.11491	1.9
209.15329	74.4
211.09682	8.0
227.12703	2.5
227.16336	42.7
227.18401	2.1
389.17752	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.2166
Annotation	Debiloside B
Peak:m/z	Relative Intensity
53.03933	1.3
53.91923	1.0
55.01856	1.3
55.05507	12.5
55.05738	1.4
57.03172	0.9
57.03424	5.5
57.07060	6.3
58.28725	0.8
59.04983	4.4
61.02906	1.8
65.16558	1.0
67.05488	7.7
69.03420	8.4
69.07053	8.8
70.06631	0.9
71.04981	7.0
73.02904	1.3
79.05480	6.7
81.03369	1.1
81.07040	28.4
83.04964	18.7
83.08616	11.2
84.08155	1.1
85.02892	19.1
85.06525	5.1
91.05478	9.4
93.07018	17.9
95.04951	24.4
95.08586	13.2
97.02872	4.4
97.06517	12.0
99.04458	5.7
99.08083	2.5
105.07018	14.1
107.08575	26.4
109.06504	39.8
109.10136	10.5
111.08070	6.4
113.09656	1.2
115.07562	1.5
119.04958	1.1
119.08548	10.4
121.10126	26.9
123.08049	6.7
123.11709	6.5
125.09595	9.7
127.03928	1.6
130.06538	1.2
131.08578	10.1
133.10106	33.9
135.08037	5.3
135.11604	7.4
138.95268	1.2
139.11183	6.2
145.10117	1.8
147.04381	4.1
147.11667	18.8
148.04707	6.8
149.13235	8.7
151.11172	5.8
153.09070	13.8
158.10898	2.0
163.03802	1.4
163.14836	6.6
165.12798	1.2
167.14279	5.2
171.10196	1.5
173.13232	13.9
191.14258	14.8
209.15343	47.3
227.16383	21.9
339.65042	1.0
345.15350	1.4
371.16833	1.8
389.17758	100.0
390.18381	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1802
Annotation	Tuberonic acid glucoside
Peak:m/z	Relative Intensity
52.94460	2.0
55.01865	2.0
55.05511	3.4
57.03420	2.8
57.07067	3.3
67.05493	27.7
69.03413	3.0
69.07043	8.4
71.04975	16.8
79.05475	31.4
81.07014	10.6
83.04962	7.7
85.02895	11.2
85.06531	95.3
87.04470	2.8
89.06014	84.2
90.06358	8.6
91.05470	26.7
93.07021	31.3
94.96758	1.8
95.04955	10.7
95.08565	3.1
97.06495	3.0
99.08063	3.4
105.07011	26.9
107.04954	15.1
107.08581	34.1
109.06517	3.6
111.04415	14.3
117.06980	8.0
119.04903	10.4
119.08572	28.4
120.05280	7.8
121.06467	15.4
121.10140	31.2
123.04442	3.9
125.05956	8.3
129.06985	9.9
131.08546	100.0
133.08586	26.5
133.10123	2.8
134.08907	2.4
135.07974	2.1
135.11661	7.0
137.05963	2.4
137.09605	9.1
145.10089	36.9
147.04359	22.3
147.08037	4.4
148.04749	13.7
149.05913	1.8
149.09601	71.2
153.05402	3.6
155.07059	1.9
163.07448	3.2
163.11139	26.1
163.42329	1.9
165.09084	11.7
167.10640	36.1
173.09607	8.3
177.11194	10.8
178.11610	2.2
179.10732	1.9
191.10640	47.7
191.14206	2.2
209.11705	58.9
227.12727	59.9
237.77756	2.0
239.15025	1.7
265.16513	1.9
274.80295	2.3
293.38605	2.0
371.22818	14.8
372.23001	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	389.1779
Annotation	Unknow
Peak:m/z	Relative Intensity
61.32568	0.3
69.03397	0.4
76.56262	0.3
77.68764	0.3
80.14064	0.3
81.07024	0.3
81.59518	0.2
84.39327	0.3
85.02892	0.6
90.12134	0.2
91.05459	1.4
92.05821	0.5
93.07047	0.3
105.07007	0.3
107.08556	0.3
110.41942	0.3
119.04927	2.6
120.05264	1.5
131.08554	0.4
143.47736	0.3
147.04416	6.2
148.04732	5.7
149.09602	0.6
165.09105	0.4
209.11537	1.6
227.12567	2.5
285.75134	0.3
288.37466	0.3
389.17737	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1778
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75918	0.2
56.44122	0.2
69.03406	0.4
73.41645	0.3
76.00574	0.2
79.05480	0.3
81.07024	0.7
85.02873	2.1
91.05413	0.6
91.86485	0.3
92.19038	0.3
93.07030	0.3
97.02859	0.4
105.06998	0.6
107.08575	1.5
109.06488	0.5
109.10135	0.3
119.04917	1.5
119.61383	0.3
120.05257	1.2
121.10105	0.6
130.34731	0.3
131.08543	1.6
136.07509	0.4
145.10104	0.7
147.04395	3.3
148.04707	2.6
149.09579	2.1
163.11119	0.3
165.09093	1.1
167.10660	1.8
190.52440	0.3
191.06908	0.3
192.06573	0.3
203.05296	0.3
209.11600	2.5
210.07460	0.3
227.12477	3.8
389.17715	100.0
390.18237	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	389.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02341	0.5
53.03923	0.6
55.01859	5.7
57.03429	0.7
61.02908	2.2
65.03919	3.4
65.05966	0.5
67.05490	1.2
69.03404	3.8
73.02894	33.8
81.03396	0.6
82.04150	0.9
85.02875	11.1
86.63996	0.6
91.05498	0.6
93.03381	0.6
95.04944	6.2
97.02868	3.7
97.06505	1.2
107.05029	0.7
108.02092	0.7
109.06500	0.7
110.03612	0.7
121.06506	1.2
123.00726	0.8
123.04404	7.9
125.02345	1.0
125.05916	1.3
127.03848	0.6
138.03104	1.2
140.04649	51.0
142.02559	1.0
145.04932	0.6
148.04700	0.7
153.05440	3.4
155.06989	52.2
171.06465	5.0
173.08023	2.5
179.06981	3.3
181.04906	100.0
181.08453	2.6
205.00630	0.5
209.08040	17.6
210.45699	0.6
227.09084	63.0
250.71597	0.7
303.62466	0.6
389.17706	60.0
393.89713	0.6
412.05890	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2534
Annotation	Unknow
Peak:m/z	Relative Intensity
60.26572	0.3
65.03915	0.4
65.08542	0.4
66.86024	0.4
69.03401	0.5
72.08113	0.4
85.02873	0.8
85.06523	0.5
86.33140	0.4
87.04433	1.0
89.06008	35.0
91.05458	13.9
92.09216	0.4
92.63674	0.5
94.19268	0.5
95.04923	0.9
95.08575	0.9
108.05908	0.4
111.71848	0.4
119.04911	35.9
119.08580	0.6
120.05275	0.4
120.22631	0.5
121.06586	0.5
123.04382	0.9
131.08546	1.7
133.08577	12.9
147.04382	100.0
148.04739	1.8
149.09599	0.8
167.07056	0.5
177.09109	1.9
177.11185	5.1
191.06972	0.7
191.10593	0.7
209.11638	0.5
221.13763	0.7
236.12749	0.8
282.44583	0.5
327.20209	0.6
371.22635	11.9
388.17184	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	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03410	0.2
57.64843	0.2
64.67188	0.2
69.03412	0.3
79.05457	1.5
81.03406	0.2
85.02905	0.8
91.05457	1.1
91.24287	0.2
91.97626	0.2
92.09254	0.2
92.45689	0.2
94.65042	0.2
95.04942	0.8
98.97555	0.3
103.05433	1.3
105.07006	100.0
106.07342	1.1
117.03362	0.3
119.04905	3.2
122.09634	28.4
135.04427	0.5
136.04745	0.5
145.02808	0.3
146.03194	0.3
147.04379	10.0
162.09161	0.3
163.03902	1.3
164.04218	1.4
167.99908	0.2
180.91306	0.2
186.52516	0.2
208.09634	1.6
210.84830	0.2
226.10771	0.3
250.43871	0.2
388.16766	0.3
389.17905	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
54.35162	0.4
55.01857	0.4
55.05489	2.7
56.14119	0.4
67.05489	2.3
69.03409	1.3
69.07054	4.4
71.04956	0.5
79.05486	2.2
81.03394	0.8
81.07034	4.7
83.08607	4.2
84.04456	0.5
85.02892	1.9
88.01448	0.5
91.05450	3.1
91.20222	0.5
92.08637	1.1
92.63374	0.5
93.07018	1.2
95.04955	0.6
95.08585	3.8
96.08070	0.6
97.06512	2.3
105.06998	3.4
107.08591	2.3
107.46630	0.5
108.08065	1.1
109.06498	0.9
109.10091	1.0
110.09673	10.1
111.04398	0.6
115.23412	0.5
119.04933	4.4
119.08498	0.6
121.10104	2.5
123.08044	1.0
123.11652	0.7
124.11192	0.8
131.08551	0.8
133.10155	0.5
137.05957	0.9
137.08360	1.9
137.13266	2.3
138.09116	6.6
139.03886	6.1
140.04227	3.0
147.04384	10.0
147.11603	0.5
152.10695	0.6
152.52382	0.5
164.14314	0.6
165.12749	1.0
180.17439	18.6
191.14230	0.6
198.18463	3.9
201.09161	0.8
202.09384	2.1
202.24423	0.5
208.16933	43.8
219.10092	0.8
220.10434	0.8
226.17979	100.0
319.10101	0.6
339.61063	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.05504	2.6
55.41813	0.3
57.03429	0.4
57.07059	2.5
63.03542	0.3
63.03897	0.3
65.03925	0.8
67.05486	3.9
69.03409	3.4
69.07046	2.9
69.71951	0.3
71.04963	0.4
74.48635	0.3
79.05464	5.4
81.03393	0.4
81.07031	3.8
83.04932	0.7
85.02881	4.5
85.06512	0.5
86.87469	0.3
87.50230	0.3
89.54175	0.3
91.04875	0.5
91.05450	16.2
92.08640	0.3
93.07014	7.4
95.04932	1.8
95.08562	3.0
97.02864	0.7
97.06512	0.4
99.04475	0.3
103.05445	0.6
105.06277	0.4
105.07004	20.7
107.08568	21.1
109.06490	2.8
109.10127	1.6
115.05458	1.8
116.06194	1.8
117.06987	9.9
119.04903	0.7
119.06030	0.5
119.08552	23.0
121.06422	0.5
121.10110	22.8
123.08015	2.2
123.11612	0.4
124.41073	0.3
127.03905	0.4
128.06171	1.7
129.06975	9.1
130.07745	4.3
131.08536	34.2
132.09297	1.4
133.07518	0.3
133.10092	10.3
135.08026	5.7
135.11665	0.7
137.09558	0.6
142.07742	0.8
143.08539	18.2
144.09290	7.1
145.04941	0.5
145.10095	24.1
147.04358	2.9
147.07861	0.6
147.09039	0.4
147.11652	13.4
149.09599	2.1
149.13234	12.8
156.09322	1.6
157.10112	0.6
158.10880	19.0
165.12791	0.4
171.11659	0.8
173.13220	29.3
175.14774	6.4
176.15271	0.4
191.14267	100.0
192.14665	0.6
193.15758	0.5
208.04301	0.4
209.15282	1.5
227.16400	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2329
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.2
55.01881	0.2
55.05498	3.1
56.43259	0.2
57.03405	0.3
57.07053	1.1
59.04979	1.3
65.03928	0.4
67.05487	2.4
69.03406	1.3
69.07053	14.2
71.04971	0.6
79.05473	7.7
81.07038	30.1
82.96642	0.2
83.04948	0.3
83.08611	2.4
85.02882	2.0
85.06534	0.5
85.17239	0.2
91.05467	6.2
93.07021	16.9
95.04942	0.3
95.08584	11.6
97.02874	0.4
97.06496	3.3
97.10101	0.3
98.06818	0.3
105.04462	0.3
105.07012	11.4
107.08578	41.8
109.06499	12.9
109.10131	3.0
114.00605	0.2
117.07025	1.8
119.04912	3.1
119.08556	11.8
121.02876	0.4
121.06504	2.0
121.10122	18.6
123.04407	0.3
123.08018	1.5
129.06998	0.5
131.04926	0.4
131.08545	9.0
133.10104	14.3
135.08051	3.6
135.11671	8.6
137.09604	1.4
139.03897	2.0
140.04260	0.5
143.08517	0.5
144.09341	0.5
145.10104	3.8
147.04396	5.5
147.08070	0.3
147.11659	7.3
148.12389	0.3
149.09604	1.6
149.13237	2.2
158.10863	1.1
161.13191	1.2
163.14787	100.0
173.13229	8.6
183.62440	0.3
191.14276	52.5
202.09309	0.5
211.07388	0.3
218.05202	0.2
247.50269	0.3
267.10199	0.6
289.10678	1.0
335.11166	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2326
Annotation	Unknow
Peak:m/z	Relative Intensity
50.74833	0.3
53.03930	0.6
53.66837	0.2
55.01851	0.5
55.05501	3.2
57.03417	0.6
57.07050	1.5
61.02896	0.6
61.10402	0.4
65.03919	0.5
67.05489	4.1
69.03390	2.3
69.03721	0.4
69.07044	3.6
78.74947	0.3
79.05466	6.0
81.03381	0.4
81.07038	4.9
83.04973	0.5
83.08585	1.4
83.61194	0.4
85.02880	5.1
85.06519	0.7
91.03921	0.4
91.05457	17.3
92.64030	0.4
93.07015	8.4
95.04943	1.4
95.08584	3.4
97.02853	2.5
97.06521	0.4
103.05438	0.7
105.04493	0.4
105.07008	23.0
107.08572	20.3
109.06490	1.9
109.10151	3.0
109.84211	0.3
115.05402	2.3
116.06206	2.0
117.06991	9.5
118.07725	0.4
119.04890	0.4
119.06046	0.6
119.08551	30.1
121.10115	20.5
123.08030	2.3
123.11687	0.5
124.40760	0.3
127.03864	1.4
128.06134	1.5
129.06970	9.2
130.07764	3.8
131.08537	37.8
132.09373	1.3
133.10101	13.7
134.10860	0.5
135.08034	5.4
135.11642	2.2
137.09602	0.8
142.07779	0.7
143.08536	20.0
144.09325	8.0
145.04932	1.7
145.10095	25.2
147.04372	0.9
147.11658	14.7
149.09630	1.7
149.13231	13.4
156.09293	0.9
157.10135	0.8
158.10878	20.8
171.11633	1.6
173.13216	30.5
175.14787	12.0
191.14267	100.0
192.14650	0.5
193.15782	0.8
209.15303	0.6
328.63293	0.4
335.11316	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2327
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00271	0.3
55.01865	1.6
55.05499	1.7
57.07076	3.3
59.04991	0.5
61.02912	0.3
67.05491	4.1
69.03408	1.4
69.07053	10.1
70.11538	0.3
71.04976	0.8
71.08628	0.4
79.05469	3.9
81.03423	1.3
81.07038	21.4
83.04951	0.4
83.08611	3.3
85.02879	4.4
85.06532	3.1
91.05455	3.7
93.07025	9.9
95.04962	0.7
95.08022	0.3
95.08589	6.8
96.61018	0.3
97.02883	0.4
97.06512	9.7
99.08095	0.3
105.07003	7.4
105.08488	0.3
107.04926	0.3
107.07863	0.6
107.08576	16.5
109.06501	2.1
109.10150	6.5
115.05495	0.4
117.07055	0.4
119.04961	0.3
119.08578	4.2
121.06483	1.7
121.10123	16.4
123.04392	0.4
123.08056	10.5
123.11683	88.4
124.12016	0.4
131.08549	7.2
133.10104	32.9
135.08034	7.8
135.11639	6.3
137.09587	1.8
139.03889	3.2
140.04263	0.8
140.99139	0.3
145.05009	0.4
145.10121	2.7
147.04393	2.3
147.11673	1.8
149.09589	1.7
149.13235	2.5
158.10867	1.9
163.13565	0.4
163.14781	9.4
173.13223	14.8
176.04512	0.5
176.76492	0.4
191.07008	2.3
191.14275	100.0
192.14592	0.7
202.30212	0.3
209.08095	0.4
219.10153	0.7
222.87852	0.4
231.02950	0.3
245.08112	0.4
289.10611	3.6
335.11160	0.8
353.19333	0.7
413.43448	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01843	2.4
55.05503	2.3
57.03439	1.8
57.07057	1.1
61.02907	1.0
65.03918	1.4
67.05496	7.3
69.03403	5.8
69.07054	8.9
71.04971	6.1
79.05462	10.6
81.03384	1.2
81.07037	6.9
83.04957	1.3
85.02879	9.3
85.06524	1.6
86.09663	1.5
91.05456	32.3
93.07030	9.0
95.04929	5.6
95.08590	5.7
97.02857	1.5
97.06507	72.8
105.07008	10.9
107.08572	21.7
109.02836	1.8
109.06498	100.0
109.09468	1.7
109.10139	26.6
110.58918	0.9
111.08026	1.3
117.07001	3.8
119.04907	4.6
119.08545	11.4
121.06444	4.8
121.10117	9.6
123.04365	6.0
123.08054	14.3
127.03902	1.1
129.07004	1.8
131.04858	1.7
131.08539	29.9
132.10974	1.2
133.10081	22.2
135.08026	42.1
135.11650	1.9
137.09619	1.3
139.03873	17.1
139.11127	1.3
140.04242	7.4
143.08542	2.3
144.09308	1.1
145.04919	1.1
145.10089	10.3
147.04358	9.8
147.11661	20.1
149.05951	1.5
149.09641	10.7
149.13268	12.7
153.09084	3.9
158.10866	9.5
159.04411	1.0
163.03877	1.8
163.14713	1.8
173.13223	40.5
175.03870	1.3
175.07564	1.7
177.05418	10.5
180.73050	1.0
187.03880	3.7
189.05502	1.5
191.07045	1.8
191.14272	92.3
193.04962	5.9
201.09091	1.4
203.03400	9.0
209.15320	72.5
219.10083	15.9
221.04367	1.7
229.08649	3.6
231.02803	4.7
245.08147	8.8
261.11069	1.7
271.09824	1.0
273.07507	5.5
273.10980	2.2
289.10660	43.3
307.11737	8.0
309.94318	1.3
317.10159	4.4
335.11224	19.6
353.12430	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.1
55.01869	7.7
55.05499	0.6
57.03428	8.0
58.67690	0.4
61.02917	7.1
63.95576	0.3
68.99760	3.6
69.03418	39.1
69.07053	0.6
71.01323	0.4
71.04977	5.4
73.02900	7.4
73.16940	0.4
79.05463	1.9
81.03400	26.2
83.01304	0.7
85.02891	100.0
87.00813	47.1
87.04474	0.9
91.03942	1.7
91.05460	0.9
92.83775	0.4
97.02870	26.6
97.03497	0.9
97.06497	2.0
99.04436	14.2
101.02379	0.7
101.87485	0.4
103.03915	0.8
103.58019	0.4
105.01847	41.8
105.07008	11.3
106.07343	0.5
107.08572	0.9
108.04472	2.5
109.02863	27.8
109.10133	0.4
115.03891	1.0
117.01833	4.0
119.04916	2.4
119.08570	2.1
120.08901	0.4
123.00656	0.4
123.02876	0.7
123.08071	1.0
126.05502	0.6
127.03891	53.9
129.01802	3.5
131.08519	0.6
131.67046	0.4
133.10112	0.9
143.08498	0.4
145.04932	22.2
145.10069	0.8
147.02901	2.6
147.04402	6.2
159.02861	15.0
164.11276	0.4
171.02890	0.8
175.14766	0.5
177.03937	0.6
189.03989	1.7
190.64394	0.4
191.14241	0.6
195.62842	0.4
207.13893	0.8
209.15390	0.5
213.03943	2.4
213.09027	0.7
227.14897	0.4
230.06691	0.6
231.02716	0.7
231.04968	16.2
231.07237	0.8
231.10048	0.6
248.07687	1.0
249.05994	7.9
266.08896	0.5
289.10696	0.9
335.11075	0.8
388.15991	3.3
388.20483	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	388.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06001	0.1
52.14306	0.1
53.64709	0.1
57.03445	0.2
60.04514	0.2
65.03937	0.6
69.03410	0.4
70.06570	1.7
71.82865	0.2
81.03345	0.2
81.07077	0.2
83.01323	0.3
84.08157	0.3
85.02885	0.3
91.05459	13.0
92.09277	0.3
93.07027	0.3
95.08582	0.2
96.08089	0.3
98.09656	0.2
105.07016	0.2
107.04951	1.2
107.08617	0.2
109.06522	0.3
110.26369	0.2
117.07024	0.3
119.04917	39.6
120.05264	0.2
121.06480	0.2
121.10078	0.2
123.04402	5.3
123.08015	0.3
130.07779	0.2
131.08546	0.3
133.02599	0.2
135.04398	0.2
135.08064	1.6
135.11705	0.3
137.09589	0.2
145.10104	1.8
147.04387	100.0
148.04771	0.3
149.09593	6.9
151.03873	0.8
151.07504	1.1
153.05391	0.6
158.07260	0.8
159.07967	0.2
163.03876	0.8
163.07475	0.3
163.11160	3.4
165.05508	0.2
173.09608	2.9
175.03835	0.3
175.07455	0.3
176.08286	2.2
177.05487	0.8
177.09073	10.1
179.07027	0.4
187.07536	0.3
189.09067	0.2
191.10632	21.7
199.07513	0.2
201.09061	0.3
207.06534	0.2
209.11700	3.9
216.10173	1.2
218.11682	1.8
236.12762	6.7
248.12698	0.7
285.07462	0.3
370.16235	0.4
387.16241	0.2
388.12704	0.3
388.17474	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	387.2011
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
55.01859	10.0
55.05497	15.8
56.96547	2.0
57.03425	31.0
57.07072	2.3
59.04985	4.9
61.02912	8.7
67.05487	14.2
69.03418	26.7
69.07051	13.3
71.04972	32.5
73.02895	3.2
75.04452	2.8
79.05478	9.5
81.03394	10.1
81.07034	29.3
83.04972	28.2
83.08615	3.2
85.02887	100.0
85.06532	3.7
87.04453	2.1
91.05472	22.1
93.07016	59.5
93.75582	2.0
95.04926	10.0
95.08573	30.6
97.02886	18.6
97.06499	27.6
99.04430	4.0
99.08105	3.7
105.07020	24.3
107.04975	3.7
107.08575	53.3
109.02852	3.9
109.06487	24.1
109.10117	15.8
109.47622	2.2
111.04423	20.5
111.08064	19.1
115.98387	2.3
117.06963	3.5
119.08543	21.8
121.06474	17.5
121.10119	25.5
123.04411	8.0
123.08044	34.4
123.11703	16.3
125.05979	4.7
125.09620	2.5
127.03922	4.5
129.05440	2.4
129.06992	2.6
131.08553	11.4
133.06483	3.6
133.10088	39.0
135.04385	3.3
135.08035	15.0
135.11685	52.5
137.06006	5.1
137.09593	85.3
139.03867	61.3
139.04898	3.5
139.07494	4.1
143.08592	3.0
145.04991	4.2
145.10130	9.0
147.04341	4.5
147.08044	3.0
147.11688	8.9
149.05951	25.2
149.09573	9.9
149.13275	13.8
151.07561	27.4
151.11159	9.4
153.05460	4.5
159.11674	14.2
161.05878	3.3
161.09587	2.4
161.13219	9.3
161.54060	2.3
163.03821	16.5
163.07535	4.9
163.11143	24.8
165.12740	28.9
167.07024	3.5
171.11722	3.1
175.07536	11.9
177.12717	64.2
181.08580	16.8
181.12175	5.1
187.11102	2.4
189.09039	3.4
189.12712	13.9
195.13779	88.9
201.09131	3.9
203.03293	2.8
205.12323	8.6
207.13763	81.8
209.08092	4.8
219.10220	9.5
223.13254	31.0
225.14838	13.3
237.02711	2.9
241.14322	19.6
289.10638	11.5
335.11206	4.2
387.20035	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	387.2008
Annotation	Corchoionoside C
Peak:m/z	Relative Intensity
53.03922	2.7
55.01858	6.2
55.05503	1.4
55.23629	1.2
56.40056	1.2
57.03432	11.4
57.07050	1.8
57.48298	1.3
59.04983	2.9
61.02916	10.1
67.05485	7.3
69.03413	33.5
69.07039	1.6
71.04980	6.9
73.02894	7.1
79.05461	3.5
81.03403	13.4
81.07041	12.8
83.04969	3.2
85.02889	80.1
85.06559	4.4
87.04424	3.1
91.03924	2.5
91.05442	5.9
93.07032	12.4
95.04951	5.8
95.08593	11.1
97.02864	30.7
97.06500	3.0
99.04417	6.7
105.07010	18.0
107.04931	3.2
107.08586	8.8
109.02857	8.6
109.06504	3.2
109.10104	6.2
111.08052	2.8
117.07037	2.1
119.04901	1.7
119.08533	15.2
121.06486	8.7
121.10154	10.2
122.07162	1.8
123.07156	2.5
123.08047	72.5
125.05965	6.8
125.09633	1.8
127.03901	16.6
127.11176	2.9
131.08542	1.8
133.06467	5.6
133.10075	9.6
135.08038	7.8
135.11713	1.8
137.05972	1.9
137.09599	1.7
139.03857	6.1
143.08528	1.9
145.04912	17.2
145.10135	8.8
147.04375	5.7
147.07999	2.0
147.11685	7.0
149.09625	2.7
151.07521	100.0
151.11177	5.8
159.11606	1.6
161.09572	1.7
161.13292	6.0
163.03857	1.8
163.11160	41.0
165.12704	1.3
171.11720	1.5
173.67635	1.3
174.10280	1.4
175.07579	1.5
177.12604	2.4
181.12143	20.7
189.12746	21.8
207.13777	59.9
209.15367	3.4
225.14774	16.8
255.49857	1.3
387.14966	2.9
387.19974	62.6
398.51889	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.5
53.03934	2.9
55.01863	3.4
55.05502	3.8
57.03411	7.2
57.07063	2.1
61.02905	8.8
61.40883	1.4
67.05476	9.7
69.03409	26.9
69.07048	10.2
71.04960	3.1
73.02895	3.3
78.10903	1.7
79.05468	3.8
81.03378	13.3
81.07014	8.1
82.55122	1.5
83.04934	1.7
85.02886	54.3
85.06517	2.2
87.04416	3.2
91.05453	10.3
93.07020	14.7
95.04913	1.5
95.08584	74.2
97.02864	20.8
97.06519	2.8
99.04445	6.1
105.07001	35.7
107.08578	15.6
109.02859	3.7
109.10164	11.3
119.04955	1.7
119.08553	66.8
120.09326	2.6
121.06473	2.8
121.10122	25.6
123.08054	17.5
127.03867	8.7
129.67400	1.7
131.08554	7.4
133.06480	11.9
133.10107	39.7
135.08017	2.9
135.11662	74.4
137.09558	15.1
137.13191	6.8
143.08542	2.9
145.10152	3.2
147.08029	8.2
147.11650	35.1
149.09586	46.3
151.07462	9.3
151.11079	1.8
156.09302	7.6
159.08052	3.5
159.11633	3.0
161.09541	2.8
161.13214	100.0
163.11116	1.7
171.11702	2.8
174.10419	11.7
179.14323	3.5
189.12712	66.1
207.13760	48.9
263.31100	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2008
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.99993	1.9
55.05495	3.4
59.04981	13.9
60.12965	1.8
63.93870	2.0
67.05497	12.2
69.03404	4.4
69.07046	3.7
70.06580	9.8
71.04983	2.5
71.06899	2.8
76.05489	2.0
79.05473	10.2
81.03407	2.6
81.07037	9.3
83.04952	4.2
85.02870	18.8
89.42127	2.3
91.05447	9.4
93.07013	15.7
95.04950	5.5
95.08585	11.2
97.02859	2.4
97.06577	2.2
105.06998	24.7
107.08569	39.4
109.06503	19.5
109.10125	16.3
119.04906	2.7
119.08526	24.8
121.06509	3.6
121.10101	4.3
123.08047	31.3
123.11698	2.6
125.05920	2.1
127.03855	3.0
133.06409	2.7
133.10132	13.3
135.08058	9.2
135.11685	16.6
137.09579	100.0
140.56279	2.5
147.04401	10.7
147.11667	13.8
149.09645	10.4
151.11189	3.4
153.09038	3.6
159.11751	3.9
161.13242	11.6
171.11577	2.8
177.05406	3.8
177.12750	4.6
181.12242	2.3
189.12726	14.9
207.13776	13.4
225.14856	3.4
251.82933	2.6
275.71869	2.4
371.99570	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	387.201
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81348	1.0
55.01857	1.0
55.05502	1.6
57.07056	2.3
59.04956	0.8
67.05497	17.7
69.07040	1.2
70.06197	1.3
70.06576	29.6
71.06904	6.9
74.43744	0.8
79.05459	1.5
79.74125	0.9
81.07046	3.6
85.02883	4.1
85.06540	10.4
91.05462	2.2
93.07025	7.7
95.04921	1.5
95.08583	75.7
97.02854	1.5
97.06508	1.3
105.07018	4.2
107.08593	7.2
109.06527	1.4
109.10124	1.0
113.05978	5.7
119.04893	1.5
119.08560	14.2
121.06475	2.3
121.10099	5.5
123.04416	3.4
123.08041	21.2
123.11655	1.6
124.04806	1.1
131.08557	1.8
133.06465	1.1
133.10086	2.3
135.11664	8.9
147.04385	4.5
147.08080	1.4
147.11714	4.0
149.09605	19.2
151.07581	1.3
151.14836	1.1
151.73145	0.9
157.18584	1.1
161.13217	4.7
163.11087	3.7
165.12721	4.9
173.96823	1.0
174.10422	1.5
177.05418	14.1
178.05746	12.9
181.12024	1.2
189.12743	6.0
207.13762	23.3
225.10928	100.0
232.53247	0.9
240.57428	1.0
247.92996	1.3
330.10605	1.2
387.16183	50.3
387.21011	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
55.01872	1.0
55.05493	2.0
57.07053	1.4
59.04994	0.9
64.15794	0.8
67.05509	6.0
69.03419	3.8
69.07021	1.0
69.34595	0.8
70.06587	1.3
71.04972	1.2
77.04638	0.7
79.05478	4.4
81.06590	1.6
81.07041	29.8
83.04963	1.8
85.02892	100.0
85.06509	1.0
91.05461	10.2
92.08727	1.6
93.07031	5.1
95.08585	7.7
97.02831	1.5
105.07017	13.6
107.08575	7.6
109.06507	4.0
109.10143	12.5
119.04925	13.3
119.05718	1.2
119.08563	12.8
121.10144	10.6
123.08049	3.4
123.11690	77.9
125.05973	8.0
128.06230	0.8
131.08542	3.6
133.06502	1.3
141.05411	1.0
145.10083	6.3
147.04396	35.7
147.08040	3.4
147.11682	12.9
149.09598	6.4
151.07509	1.7
156.09367	0.9
161.13248	4.4
163.03847	2.9
165.12711	1.2
167.07030	0.9
174.10387	1.0
175.03886	1.6
189.12701	12.3
192.04152	0.9
207.06464	3.9
207.13794	31.1
209.64496	0.9
211.78937	0.8
225.07379	1.0
225.11023	9.7
225.14819	8.0
258.22141	0.9
387.16080	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	387.2008
Annotation	(6R)-9,10-Dihydroxy-4,7-megastigmadien-3-one-9-O-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03933	3.3
55.01868	3.1
55.05502	13.7
57.03427	13.7
57.07090	2.8
59.04991	19.7
61.02912	3.3
67.05506	17.0
69.03412	27.5
69.07047	12.5
70.06584	33.0
71.04968	6.6
71.06897	3.6
72.08144	32.0
79.05482	14.0
81.03416	6.8
81.07040	20.5
83.04958	10.6
85.02905	34.2
85.06538	4.9
86.09696	16.5
87.04478	4.2
91.03948	3.0
91.05476	20.3
93.07025	26.1
95.04934	12.5
95.08587	30.8
97.02887	5.6
97.06512	5.9
98.62457	2.7
99.04427	3.8
101.06008	4.2
102.84835	2.8
105.07013	36.3
107.04956	16.8
107.08572	57.9
108.05268	4.9
109.06506	42.1
109.10137	31.9
111.08095	3.3
117.06927	3.7
119.04946	4.6
119.08551	40.7
121.06498	6.7
121.10148	29.9
123.04429	3.5
123.08050	47.1
123.11700	3.6
125.09610	18.3
127.03898	4.8
127.11190	17.1
129.10251	12.4
131.08562	6.3
133.06497	3.9
133.10132	18.5
135.08015	21.1
135.11636	18.5
137.09593	100.0
137.10577	5.0
139.03864	11.3
139.11183	12.2
143.08472	3.0
145.02805	3.4
145.10071	4.7
147.04373	23.1
147.08049	6.8
147.11699	20.8
149.09602	20.6
151.07532	16.3
156.09315	5.4
161.13187	21.7
163.03909	16.3
163.11133	6.5
165.12691	5.2
171.11699	5.4
174.10387	6.1
175.07454	3.1
177.05481	12.9
187.86655	2.8
189.12714	27.0
207.13770	83.6
225.14774	31.0
231.16983	4.2
271.89264	2.9
328.13821	2.9
330.10141	3.7
387.15652	13.0
387.19934	28.1
387.27127	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1622
Annotation	Unknow
Peak:m/z	Relative Intensity
57.03427	0.8
58.95901	0.4
69.03436	0.5
69.07053	0.7
71.94456	0.5
72.08146	0.6
79.05478	0.9
81.07050	0.5
84.80873	0.4
85.02891	2.4
89.03928	1.1
91.05456	2.4
95.04961	0.7
97.02858	0.7
98.97603	0.6
105.07021	0.8
107.04925	1.0
109.06473	0.5
117.03393	3.7
119.04880	1.5
119.08544	1.1
133.06505	0.5
133.10101	0.9
135.04404	6.3
137.05980	0.6
145.02850	2.9
147.04399	6.4
147.08073	0.8
161.13242	0.6
163.03877	13.8
163.40807	0.5
207.10034	0.6
207.13812	1.0
225.10941	3.7
241.08307	0.6
242.08939	0.7
256.56046	0.5
343.13531	1.8
387.16263	100.0
388.16879	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
55.01860	4.5
55.05500	1.4
57.03422	0.6
57.07037	0.6
65.03922	0.9
66.25121	0.6
67.01849	2.4
67.05487	2.9
68.99767	2.4
69.03402	2.6
69.07047	4.4
79.05466	6.1
81.03413	0.9
81.07041	3.4
83.04973	2.4
85.02876	2.9
85.94084	0.6
91.05442	4.2
93.03368	0.7
93.07010	1.5
95.04906	2.5
95.08573	2.4
97.06509	21.4
103.05462	1.4
105.07020	5.0
107.04933	2.4
107.08597	2.9
109.06530	1.0
109.10146	2.5
111.04429	2.5
115.05414	3.2
117.06979	7.6
119.04955	1.0
119.08559	2.6
121.10116	0.8
123.04388	20.7
123.11746	0.7
127.03883	11.6
128.06192	2.5
129.06958	7.2
130.07758	0.8
131.04907	4.0
131.08543	4.1
133.06497	1.3
133.10135	1.4
135.04391	3.1
137.05957	4.9
139.03877	54.4
141.06993	3.1
143.08517	2.6
144.05724	1.1
145.06445	7.1
145.10123	7.8
147.04402	3.7
147.08093	1.2
147.11563	0.8
149.05959	7.1
151.03886	2.7
153.01802	54.9
153.05475	3.2
153.06979	7.3
154.07759	3.2
155.03391	3.5
155.08521	25.7
157.06421	7.6
158.07246	2.7
159.08044	4.1
159.11678	0.7
160.05157	4.2
161.05901	8.8
163.03860	6.6
163.07510	1.4
165.05449	15.6
165.06853	1.9
167.08521	0.9
168.05644	1.2
169.04961	3.0
169.06569	0.8
169.10071	3.3
170.75740	0.6
171.02904	1.5
171.08057	2.5
173.05948	14.9
173.09579	11.8
175.07501	19.7
177.05441	6.2
177.09076	2.4
179.08543	1.0
181.04930	4.5
181.06374	1.3
183.08011	13.9
185.05922	1.5
186.06688	5.2
187.07455	0.9
189.05463	1.0
189.09099	3.3
191.03337	2.3
191.10645	3.3
193.12148	0.7
197.09535	4.9
199.07547	2.4
201.09073	100.0
205.08678	0.8
207.08110	0.8
210.06761	0.7
213.09106	1.0
215.10640	6.5
217.08600	7.0
219.08128	0.9
219.10101	17.3
225.09047	7.6
231.10190	0.8
237.08894	0.7
243.10078	8.7
261.11151	7.7
333.11047	1.4
351.12137	3.1
359.62714	0.8
387.14407	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57323	0.3
55.01855	1.8
55.05493	1.0
59.38264	0.4
59.66553	0.3
65.03918	0.8
67.05482	2.0
68.99783	1.5
69.03397	0.8
69.07044	2.3
71.01312	0.4
79.05472	0.5
81.07024	2.6
83.04982	2.9
85.02876	2.1
91.05448	1.0
91.23731	0.4
91.45113	0.4
93.03380	0.6
93.06996	1.7
95.04926	0.8
95.08579	1.7
97.02863	0.4
97.06512	2.1
99.04369	0.4
103.05441	2.0
105.07014	2.2
107.08590	0.9
109.10114	0.5
111.00840	0.5
111.04407	5.4
117.07024	0.5
119.04960	0.4
119.08568	1.5
121.02846	0.7
121.10088	0.6
123.04439	3.5
123.11664	0.5
125.05896	0.6
127.11237	0.3
128.06172	0.8
129.06976	1.9
131.04904	2.2
133.10123	0.7
135.04396	1.0
137.05891	1.5
137.51086	0.4
139.03877	100.0
143.08464	0.8
145.06470	0.8
145.10114	0.9
146.06038	0.7
147.04404	0.7
149.05952	2.3
151.03833	0.7
154.07657	0.6
155.03401	0.6
155.08560	0.5
157.06612	0.5
159.07999	0.6
160.05168	0.7
161.05922	3.0
161.09579	0.9
161.13260	0.4
163.03880	8.5
163.07463	0.5
163.11218	0.6
167.03363	0.5
169.24182	0.4
173.05914	1.5
173.09592	0.5
174.06740	1.7
175.07504	2.4
177.05293	0.4
177.10207	0.4
179.03389	2.1
179.08562	0.4
181.04939	0.5
181.12241	0.4
181.24155	0.4
185.05916	0.6
186.06679	0.6
187.07585	0.9
189.09056	2.9
191.10634	1.0
197.09546	0.7
200.08331	1.7
201.09062	2.7
214.06097	0.6
215.10626	3.7
219.10143	3.2
231.10139	1.6
243.10184	4.4
247.09724	0.4
268.79276	0.5
313.07111	0.8
324.17010	1.7
325.10654	0.9
351.12311	0.9
370.01767	0.4
370.17426	0.7
387.20084	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	387.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64592	0.1
50.97810	0.1
55.01868	1.2
55.05486	0.3
57.03408	0.3
57.98834	0.1
65.03924	1.2
67.01854	0.3
67.05480	1.0
68.93482	0.1
68.99774	1.8
69.03400	1.1
69.07047	0.2
71.01333	0.3
71.04974	0.2
79.05468	0.7
80.73593	0.1
81.03380	0.2
81.07030	1.0
83.04964	2.1
85.02885	1.0
91.05460	0.8
93.03369	0.9
93.07001	0.3
95.04923	0.9
95.08576	0.3
97.02882	0.7
97.06477	0.7
103.05437	0.8
105.03361	0.2
105.07031	1.2
107.04925	0.4
107.08571	0.2
107.28259	0.2
109.06502	0.3
111.00787	0.2
111.04417	6.0
114.76237	0.2
115.05428	0.7
117.07005	0.6
119.08562	0.4
121.02843	0.6
121.10126	0.3
123.04404	4.1
123.08062	0.2
123.11689	0.2
127.03857	0.2
128.06218	0.2
129.06981	1.2
131.04909	1.9
131.08560	0.7
133.06487	0.4
133.10100	0.2
135.04405	0.3
137.05933	0.9
139.03879	100.0
141.06966	0.9
143.04811	0.2
143.08530	0.9
145.02821	0.2
145.06459	1.1
145.10098	0.8
147.04393	0.8
147.11618	0.2
149.05963	2.7
151.03915	1.4
151.07520	0.2
151.11108	0.2
152.06229	0.2
153.05446	1.0
153.06908	0.7
154.07767	0.4
155.03343	0.8
155.08517	1.0
157.06482	1.1
158.07237	0.3
159.08052	0.7
160.05119	2.1
161.05957	5.0
161.09624	0.4
163.03870	6.1
163.07585	0.2
165.05492	0.2
165.06955	0.4
165.09087	0.2
167.07085	0.3
167.08507	0.4
167.45357	0.2
168.05699	0.2
169.04984	0.6
169.06471	0.4
169.10097	0.8
171.07999	0.3
173.05899	1.3
173.09601	1.1
174.06783	0.9
175.07516	2.5
177.05438	0.6
177.09114	0.3
179.03331	1.9
179.08516	0.9
181.04955	0.2
182.07251	0.3
183.08014	0.8
185.05914	0.3
185.09523	0.3
186.06715	1.0
187.07487	1.3
189.09073	2.8
189.12657	0.4
191.10634	2.3
195.08049	0.6
195.09946	0.2
197.05945	0.6
197.09604	0.4
199.07675	0.3
200.08336	1.6
201.09052	5.4
203.07109	0.2
203.10646	0.7
207.09880	0.2
207.13771	0.3
210.06689	0.3
211.07462	0.2
213.09148	0.7
214.06195	0.8
215.10623	4.2
217.08569	0.2
219.10100	3.2
225.09128	1.4
225.11177	0.3
225.14780	0.2
228.08002	0.2
231.10127	1.4
243.10101	3.4
267.10120	0.2
285.07422	0.2
295.05984	0.3
313.06958	0.7
325.10733	1.2
351.12195	0.8
369.13129	0.3
402.77090	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.4
55.01849	2.1
55.05498	1.3
57.03423	4.4
61.02905	0.6
65.03909	1.2
67.01836	0.4
67.05489	2.4
68.99773	1.6
69.03416	3.3
69.07047	0.5
71.04967	0.6
76.65150	0.3
79.05460	1.4
80.35477	0.3
81.03410	0.4
81.07043	2.2
83.04960	2.3
83.08614	0.3
85.02411	0.4
85.02887	6.2
85.06512	0.3
86.09666	0.4
87.04432	0.4
91.05446	2.1
93.03403	1.2
93.07015	1.8
95.04939	1.7
95.08577	2.0
97.02869	3.2
97.06504	2.3
99.04449	0.7
105.07012	3.0
107.04959	0.5
107.08588	2.4
109.02853	1.2
109.06540	1.1
109.10128	1.8
111.04430	5.3
111.08102	0.4
115.05438	0.3
117.07004	0.7
119.08524	2.9
121.06490	1.4
121.10124	1.9
123.04411	3.9
123.08021	4.1
123.11671	0.7
125.05972	1.9
127.03885	1.1
128.06201	0.4
129.06969	1.3
130.07745	0.3
131.04852	1.3
131.08553	0.6
131.57323	0.3
133.06367	0.3
133.10097	3.4
135.04413	0.4
135.08054	0.5
135.11664	1.6
137.05946	1.2
137.09598	0.5
139.03874	100.0
141.06952	0.4
143.08542	0.7
145.04907	0.4
145.06458	0.6
145.10126	0.7
147.04372	1.3
147.08029	0.4
147.11629	1.6
149.05914	2.2
149.09583	0.5
151.03859	0.7
151.07524	3.9
151.11153	1.4
153.01822	0.3
153.05450	0.4
155.03387	1.3
155.08510	0.4
156.09245	0.3
157.06477	0.5
159.07983	0.6
160.05191	2.3
161.05975	3.1
161.13252	1.2
163.03860	6.4
163.11143	3.1
165.12747	0.6
167.08521	0.5
169.10039	0.6
171.11479	0.3
173.05981	1.5
173.09538	0.6
174.06682	0.5
175.07524	2.3
178.07707	0.4
179.03326	1.8
179.08537	0.5
181.12151	0.4
183.07986	0.3
185.05974	0.4
186.06731	0.7
187.07501	1.2
189.09073	2.3
189.12665	2.2
191.10625	1.8
191.14226	0.4
195.07996	0.4
197.05988	0.4
197.09645	0.5
199.07468	0.4
200.08330	1.5
201.09027	3.0
207.13759	13.1
207.15710	0.5
210.06726	0.4
214.06111	1.2
215.10629	3.4
219.10117	2.4
225.09204	1.1
225.14851	1.8
231.10118	1.7
243.10173	3.7
252.07529	0.3
267.10168	0.3
295.05923	0.7
303.98355	0.3
313.07010	0.7
325.10587	0.6
351.12451	0.5
369.13431	0.3
387.19901	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	387.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
52.47752	0.8
52.79560	0.8
55.01871	1.2
55.05498	5.7
57.03420	1.2
57.07056	0.9
65.03933	1.0
65.98174	0.9
67.05483	4.9
68.99754	1.4
69.03418	2.0
69.07055	1.6
71.04957	1.2
75.01820	0.8
79.05468	2.3
81.03373	1.7
81.07029	5.7
83.04967	2.4
83.08597	4.0
85.02895	6.8
91.03962	0.8
91.05454	5.1
92.53495	0.9
93.07013	2.4
95.04950	1.9
95.08574	4.8
97.02855	2.0
97.06510	12.7
99.04533	0.9
103.05438	1.1
105.07011	7.0
107.08572	3.8
109.06482	1.9
109.10139	5.2
111.04433	5.0
115.05441	1.1
117.07012	2.1
119.04921	1.6
119.08536	6.0
120.08929	1.4
121.10140	2.0
123.04401	7.6
123.08010	1.2
123.11694	2.5
125.05967	9.4
129.06912	1.3
131.04869	2.4
131.08598	1.3
133.10103	1.6
135.04391	2.4
135.11591	1.3
137.05946	9.2
139.03876	100.0
141.06943	0.9
141.09117	1.4
143.08521	2.1
145.02823	1.0
145.10034	1.5
147.04361	1.2
147.07988	2.3
147.11679	2.3
149.06033	3.1
151.03868	1.7
151.07529	1.8
153.05382	2.0
155.03372	4.8
156.09256	1.3
159.07999	1.4
161.05966	4.9
163.03874	24.0
163.07492	1.6
165.05396	4.4
165.09041	1.5
167.03334	2.2
169.06445	1.2
169.12175	1.3
171.11636	3.8
173.06042	1.3
173.09575	1.1
175.07521	1.9
177.05441	1.8
182.73804	0.9
189.09145	3.9
189.12715	3.9
189.59460	1.0
190.13007	2.3
191.10696	1.2
191.14273	1.3
199.07433	1.0
201.09026	1.6
205.18025	1.1
207.13785	10.5
208.14136	8.3
213.09097	1.4
215.10565	1.7
219.10085	9.2
225.09215	1.9
225.11195	14.8
225.14833	8.2
243.10065	2.4
336.16287	0.9
387.14676	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2381
Annotation	Unknow
Peak:m/z	Relative Intensity
51.19448	0.5
53.00281	0.5
53.03931	1.1
53.24505	0.5
55.01867	0.9
55.05507	12.0
55.69464	0.5
57.03427	1.5
57.07066	23.2
58.91342	0.5
59.05004	0.7
60.75772	0.5
61.02922	4.6
62.18924	0.5
69.03426	8.4
71.04976	0.9
73.02916	0.8
73.06538	1.3
81.03397	3.6
83.08611	4.0
85.02892	26.7
87.04486	1.0
89.06013	100.0
91.03916	0.8
92.08749	0.9
97.02865	6.8
97.96468	0.5
99.04446	1.2
100.42305	0.8
101.09642	15.1
107.07067	3.7
109.02848	1.2
119.10720	1.0
127.03899	3.1
133.08583	19.8
145.04955	1.0
145.12213	8.1
151.09636	21.6
165.09103	1.0
180.44534	0.6
207.15886	87.8
407.42346	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	2.8
55.01849	3.1
55.05498	10.9
56.96517	2.0
59.04975	3.2
67.05481	9.3
69.03418	9.4
69.07037	3.2
71.04974	5.4
79.05469	10.1
81.03394	5.4
81.07036	5.4
83.04959	8.7
85.02897	15.9
85.06519	3.9
91.05445	16.4
93.07010	14.3
95.04926	10.5
95.08572	9.6
97.06496	10.0
105.07005	51.5
107.04864	2.6
107.08581	35.2
108.08963	3.2
109.06502	12.9
109.10130	3.6
110.95734	2.3
117.06940	7.6
119.08556	70.9
121.10123	27.8
123.04310	3.4
123.08022	10.0
123.11680	3.4
125.09611	3.3
128.06200	5.2
129.06972	8.1
130.07814	2.4
131.08545	32.2
133.10106	27.2
135.08031	45.0
135.11642	9.7
136.08420	3.7
137.09573	5.3
139.03877	25.2
141.06958	2.6
142.07634	2.7
143.08549	28.7
144.82458	2.0
145.06502	2.7
145.10083	22.5
147.04402	4.0
147.08011	36.1
147.11661	39.7
149.09595	10.3
156.09312	47.8
159.11716	10.8
161.09550	5.2
161.13202	19.4
163.03886	3.1
163.11211	2.5
165.08990	4.3
165.12721	8.2
171.11650	64.6
174.10316	3.4
189.09039	17.1
189.12682	39.3
206.12474	2.8
206.15176	2.2
207.13770	100.0
207.15721	3.7
223.16833	15.8
224.17197	16.9
243.55177	2.1
283.48502	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	386.2019
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75924	0.6
53.03934	0.6
55.05497	4.0
56.32748	0.7
57.03430	13.6
61.02914	1.6
69.03406	3.2
69.07050	1.5
71.04977	87.6
73.02890	3.7
75.04464	4.6
78.81145	0.8
79.05484	0.9
81.07044	3.5
83.04961	9.1
85.02890	100.0
85.06561	0.8
87.04462	3.7
89.03913	1.4
89.06013	1.0
97.02849	5.1
99.04409	1.0
107.08539	0.8
109.02853	0.8
109.06481	0.7
110.09048	0.7
111.04408	4.3
116.98559	0.9
117.03350	4.5
121.00742	1.1
127.03898	4.9
127.07533	1.3
129.05460	25.3
129.06952	0.8
133.00798	1.2
135.04381	7.9
136.81735	0.7
139.01851	1.1
145.02821	4.3
145.04977	3.5
147.04364	0.8
147.06500	11.2
149.00238	0.9
159.98466	0.8
163.03877	23.8
163.06018	0.9
164.09146	4.0
165.05635	0.9
196.09830	0.8
224.09120	1.1
242.05957	3.2
253.93391	0.7
260.07098	3.9
276.09482	1.4
386.10159	1.1
386.14627	1.5
387.15930	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.2016
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	0.8
53.03933	1.3
55.01858	3.5
55.05510	1.2
57.03427	30.8
59.04997	5.8
60.04517	13.3
61.02913	10.0
62.60514	0.7
67.05496	1.1
69.03416	70.6
69.07056	3.2
70.06570	1.6
71.01332	1.8
71.04976	8.6
72.05311	1.2
73.02898	21.0
75.04450	4.7
79.05487	1.0
81.03402	6.1
81.07038	12.6
82.07378	4.1
83.04971	1.4
85.02888	100.0
86.09666	1.0
87.04448	40.8
89.05988	7.1
91.03918	4.4
91.05430	1.1
95.08607	0.9
97.02872	55.4
97.06522	1.6
98.97557	0.9
99.04428	5.3
103.03933	1.4
107.08553	1.3
109.02866	8.4
109.10136	4.4
111.11729	0.8
115.03909	41.4
119.04924	1.4
120.08112	1.0
123.11689	1.4
124.12094	1.0
127.03892	16.1
133.04944	38.5
135.04396	2.0
145.04935	24.4
145.82434	0.8
147.04382	8.0
150.07594	1.9
151.11150	3.0
152.11555	1.3
163.03889	7.1
163.05949	9.3
165.05411	1.6
169.12274	1.1
170.12585	1.2
177.05521	1.1
187.13260	6.9
188.13631	7.1
189.13834	1.6
204.68628	0.8
223.06009	1.2
225.10875	3.1
237.13322	1.7
241.07042	1.9
259.08105	3.7
277.09085	1.6
295.10181	4.1
295.41708	0.8
371.62604	0.9
387.16141	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	386.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18806	0.8
55.05513	2.3
56.33708	0.9
57.03428	15.7
57.11852	1.1
61.02916	2.4
63.69476	1.1
63.95581	1.0
67.05479	1.4
69.03416	5.2
71.04977	78.6
73.02887	4.3
75.04479	2.0
79.05462	2.0
81.07037	1.4
83.04961	9.6
85.02891	100.0
87.04456	4.2
89.03917	7.4
91.05417	1.3
97.02878	6.2
99.04479	1.8
101.06053	1.3
107.04945	1.9
109.10137	1.2
111.04482	3.5
116.20189	1.1
116.98645	1.1
117.03394	9.7
122.79172	1.3
127.03874	5.3
129.05435	22.3
135.04391	23.8
145.02824	14.7
145.04929	5.2
147.06522	10.5
163.03879	64.5
164.09113	2.1
189.11226	1.5
224.09152	2.1
225.03947	1.3
238.41660	1.0
268.37650	1.2
373.10965	1.3
386.14752	4.6
387.16165	5.6
389.44119	1.2
406.03036	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1595
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
53.78506	0.3
55.01867	0.5
56.34150	0.3
58.06594	0.6
60.05823	0.3
67.82482	0.3
68.99769	0.8
70.06575	100.0
75.32798	0.3
79.05460	0.4
80.67838	0.3
81.03401	0.4
81.07030	0.4
91.05454	0.8
93.07039	0.7
95.04948	0.4
103.05472	0.5
107.04944	0.8
109.06480	0.4
119.04917	2.4
121.06491	3.2
123.04411	15.1
131.04890	0.8
135.04391	2.6
147.04387	10.3
149.05954	6.5
159.04384	1.4
165.05444	4.2
175.07497	0.6
177.05431	63.1
207.06445	1.9
225.10979	0.6
234.11200	1.8
262.11972	0.4
329.10110	6.8
386.15863	37.1
387.16376	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	386.1593
Annotation	Papaverrubine B
Peak:m/z	Relative Intensity
55.01868	0.3
58.06599	0.3
68.99766	0.7
70.06574	100.0
71.06877	0.5
79.05461	0.5
81.07009	0.6
91.05447	0.7
93.07022	0.5
95.47752	0.3
97.37216	0.3
103.05450	1.2
105.07011	0.4
107.04948	1.3
118.97291	0.3
119.04902	3.7
121.06482	2.8
123.04398	14.6
135.04384	2.0
137.05946	0.7
145.06473	0.3
147.04372	9.7
149.05948	7.6
159.04364	1.4
161.05940	1.6
165.05399	3.5
175.07468	0.5
177.05423	69.9
178.05843	0.4
179.07111	0.3
189.05518	0.6
200.09622	0.3
207.06488	1.3
226.24629	0.3
234.11169	2.0
329.10083	7.9
386.15863	35.6
387.16092	0.4
408.14389	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.2065
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	1.3
53.03938	1.7
54.81669	0.7
55.01864	1.2
55.05502	12.0
56.41062	0.6
57.03431	1.5
57.07058	1.2
58.79345	0.8
59.04980	4.1
61.02914	1.7
64.05051	0.8
67.05486	7.5
69.03423	6.6
69.07052	18.5
70.06572	1.2
71.04973	32.9
71.05376	1.1
73.02889	1.0
79.05466	12.8
81.03404	3.7
81.07035	100.0
83.04964	13.5
83.08604	1.1
85.02888	20.0
85.06528	3.3
86.12823	0.8
89.05997	1.6
91.05450	3.7
93.07027	4.5
95.04946	7.5
95.08602	8.1
97.02852	3.5
97.06496	10.8
97.10152	1.7
99.04460	1.6
99.08069	6.4
101.06004	1.5
105.07006	8.7
107.08572	19.1
109.02862	1.6
109.06505	5.2
109.10133	25.7
111.08044	3.9
111.11716	8.6
113.05991	2.0
115.05424	1.0
121.10099	5.1
123.04393	0.9
123.11682	33.6
123.12541	1.5
127.03912	3.8
133.06453	6.7
133.10124	4.9
139.11143	20.0
145.04935	0.9
151.11162	26.5
157.12212	13.8
161.05916	7.0
167.06970	1.3
169.12190	46.7
173.01146	0.7
182.22885	0.8
187.13255	60.5
193.08589	3.6
198.13852	0.8
223.15344	5.9
238.73320	0.8
251.09177	1.0
277.88123	0.9
400.16693	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	385.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	1.2
53.03930	1.3
55.01856	5.7
55.05499	6.3
57.03424	4.3
57.07056	1.2
58.39794	0.8
59.04981	2.0
61.02904	6.0
66.21308	0.9
67.05505	7.4
69.03413	8.5
69.07055	14.8
70.06568	2.4
71.04975	19.7
73.02889	1.3
73.06520	1.0
74.64719	1.0
79.05470	15.4
81.03403	2.0
81.07039	54.8
83.01321	1.4
83.04960	6.0
85.02891	19.6
85.06531	1.7
86.57837	0.9
87.00822	1.2
87.04469	1.1
89.06002	2.0
91.05466	6.3
93.07027	3.9
95.01303	2.2
95.04976	8.0
95.08591	5.4
97.02866	6.2
97.06500	6.8
99.04420	1.8
99.08063	4.5
103.05464	10.7
105.07009	82.8
107.04885	1.6
107.08575	15.9
109.02907	2.2
109.06488	4.3
109.10149	17.1
111.08066	4.3
111.11721	1.8
113.05975	1.1
115.03907	1.4
115.05424	20.0
117.06998	4.8
118.04146	6.0
121.06458	5.4
121.10170	2.2
122.06850	1.1
122.75079	0.9
123.04352	6.9
123.08023	1.2
123.11665	22.8
125.09618	1.2
127.03907	3.8
128.06204	2.0
129.06937	1.4
131.04927	6.3
132.05702	1.1
133.06467	77.5
133.10149	3.3
135.94516	0.9
136.06178	1.8
139.11142	11.0
140.04663	5.0
141.08975	1.0
143.05998	5.1
145.04916	1.2
145.06442	7.0
147.04395	3.9
147.08072	1.3
151.03891	1.1
151.07471	0.9
151.11165	19.9
155.07033	1.8
157.06464	1.8
157.12199	6.1
159.04422	1.8
160.05121	1.6
161.05940	100.0
163.08072	1.0
165.22180	0.9
167.07016	27.1
169.08621	1.1
169.12196	31.4
173.05956	5.7
175.03935	1.8
175.07507	2.2
181.04913	1.2
183.06462	1.5
186.03157	1.1
187.03870	1.0
187.09622	2.1
187.13246	37.9
189.05469	1.8
190.02467	1.6
190.06238	2.1
191.07042	4.0
192.07759	1.5
193.08562	36.4
201.05444	3.9
205.06989	2.0
205.08612	5.6
207.06480	7.1
217.08604	1.2
219.06511	1.3
221.08133	1.3
223.02275	1.9
223.15404	1.1
229.04886	1.9
231.06505	2.3
233.04393	5.6
233.08099	2.0
235.06271	1.3
247.06129	1.7
249.07651	1.3
251.09084	18.1
252.07283	3.9
253.07455	2.1
261.07584	8.1
263.09039	2.4
273.07388	1.2
275.09085	1.5
307.08096	5.9
334.07339	1.1
380.41046	1.1
385.11066	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2226
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	0.9
55.01861	2.1
55.05496	8.0
57.03421	7.8
57.07054	1.9
59.04983	1.6
59.88865	0.8
61.02899	4.2
67.05493	32.5
68.99746	0.9
69.03410	12.3
69.07058	8.9
70.06577	43.1
71.04977	63.2
71.05376	2.1
73.02894	1.3
79.05471	8.4
81.03379	5.7
81.06596	1.4
81.07041	36.2
83.04954	5.6
83.08595	1.5
85.02887	25.3
85.06528	100.0
86.09684	2.0
86.68450	1.0
87.00810	1.6
87.04455	2.2
91.05456	30.2
93.07022	12.6
95.04921	1.2
95.08579	6.3
97.02905	7.8
97.06499	6.2
97.07074	1.1
99.04453	1.4
99.08079	1.4
101.05989	1.3
101.17609	0.9
105.01837	2.2
105.07014	26.9
107.08586	34.2
109.02839	2.0
109.06527	7.7
109.10147	52.2
110.07163	6.9
111.08042	1.4
116.78861	0.9
118.48376	0.9
119.04846	1.4
121.10119	4.4
122.10410	2.2
123.08017	1.8
123.11682	15.0
125.09625	5.5
127.03901	5.0
127.07506	2.1
127.08596	1.4
127.11168	4.2
130.06497	1.5
131.08540	1.2
132.04422	1.1
132.06516	1.8
133.10106	84.6
136.07530	2.0
139.11169	1.9
143.67926	1.0
145.04884	1.3
145.07558	1.2
146.07945	1.2
147.04337	1.2
149.05975	1.8
151.11165	58.8
152.08144	1.4
158.05994	1.4
163.08662	2.1
167.10628	1.7
168.10999	1.1
169.12221	45.8
175.08679	2.0
177.05460	10.2
185.11710	2.0
186.12051	2.2
187.03844	1.1
187.05826	2.0
187.13269	85.0
199.05954	1.2
205.14331	15.0
207.07654	13.7
208.07970	20.5
212.07111	1.1
229.11755	6.6
232.07217	1.1
233.07576	1.3
307.07806	2.0
323.12134	1.4
324.12595	6.2
367.13333	19.0
384.14139	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	384.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
50.77768	1.1
53.03949	1.1
55.05508	1.8
56.59141	0.9
57.03429	1.2
57.81902	0.9
59.05004	1.2
61.02908	2.2
63.41446	0.8
64.17497	0.9
67.05487	4.3
69.03413	6.4
69.07048	14.2
69.38613	1.0
71.04971	29.7
73.02919	1.7
79.05463	9.5
81.03408	2.1
81.07041	84.9
83.04984	5.0
85.02888	20.7
86.47495	1.0
87.08093	1.2
91.05457	1.1
93.07034	4.0
95.04962	1.5
95.08572	1.5
97.02879	5.7
97.06522	7.1
97.10133	1.9
99.04433	1.2
99.08086	5.7
101.06007	1.4
105.06980	1.1
107.08580	17.0
109.02865	1.8
109.06496	2.3
109.10148	22.8
111.08076	5.3
111.11711	10.3
117.24355	0.9
121.10123	4.7
123.08035	1.6
123.11674	31.9
123.12529	1.5
127.03931	1.2
127.11260	1.2
133.10098	6.2
139.11174	14.5
145.04930	1.2
151.11168	29.6
157.12239	19.7
169.12219	27.4
187.13255	100.0
205.14299	12.9
349.18613	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	384.2223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.67943	0.7
53.00334	0.8
55.01851	0.8
55.05504	3.3
57.03414	1.2
57.07064	1.1
59.04990	3.4
61.02913	1.4
66.11308	0.7
67.05492	5.3
67.58102	0.8
69.03396	6.4
69.07052	18.3
70.93914	0.8
71.04607	1.7
71.04975	33.2
79.05469	9.3
81.03389	1.7
81.07037	98.4
83.04967	4.9
83.08639	1.8
85.02887	25.8
85.06525	1.1
86.56332	0.9
89.06038	0.8
93.07037	3.5
95.04947	1.5
95.08578	3.5
95.45461	0.7
97.02870	6.3
97.06496	6.8
97.10127	1.3
99.04454	0.9
99.08087	7.6
101.06047	1.1
105.07049	0.8
107.04044	0.8
107.08592	11.1
109.02885	1.1
109.06510	3.3
109.10133	21.1
110.58471	0.8
111.08071	3.7
111.11694	12.9
121.10115	5.6
123.08025	1.2
123.11679	33.6
124.44759	0.8
125.09627	0.8
127.03886	4.0
133.10091	1.5
135.94688	0.8
139.11147	19.9
139.12082	1.3
141.12682	1.5
145.04916	0.9
151.11162	26.0
157.12199	17.2
169.12210	36.4
187.13249	100.0
192.11865	0.9
205.14314	6.0
219.44762	0.9
349.18509	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.16562	0.2
55.05489	0.5
56.28344	0.2
62.57245	0.2
64.33135	0.3
67.05476	0.2
69.07054	0.4
85.02866	1.3
86.09685	100.0
87.10008	1.4
88.10399	0.2
91.07595	0.3
97.02876	0.5
107.08596	0.4
110.07207	0.3
113.02350	1.1
123.04408	1.1
127.03882	0.4
132.10172	42.9
133.10495	0.4
155.79593	0.3
169.04967	0.4
176.09038	0.4
205.07016	0.4
244.11534	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81330	5.5
55.05514	11.0
57.07064	9.6
67.05180	5.4
67.05496	50.1
69.07064	14.2
79.05480	41.5
81.07032	61.0
85.06552	7.6
91.05443	58.8
93.07018	98.8
95.04938	13.8
95.08577	33.9
95.26015	6.1
97.06505	8.7
100.79112	6.2
104.19259	7.1
105.07014	100.0
107.08592	34.6
109.06506	11.1
109.10135	31.9
109.61628	6.1
119.08558	63.9
121.06514	8.2
121.10109	37.5
123.08019	26.1
129.06998	11.9
131.08519	29.2
133.10147	28.1
135.08067	11.2
135.11774	7.9
137.09641	7.5
142.07782	16.0
142.30798	8.1
143.08553	30.9
145.10106	39.3
147.08055	14.1
147.11668	11.4
149.09613	13.3
151.07545	13.2
156.09424	8.5
157.10136	29.5
159.11694	9.3
165.09073	14.0
169.10054	9.4
175.11153	7.7
185.13278	10.0
203.14256	7.5
221.15302	33.5
383.25583	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	384.1874
Annotation	dihydrozeatin-9-N-glucoside
Peak:m/z	Relative Intensity
53.03936	0.6
54.81373	0.4
55.01859	0.7
55.05504	3.0
57.03423	2.6
58.60719	0.3
59.04985	0.6
60.04497	0.4
61.02912	4.2
67.05474	0.5
69.03412	9.8
69.06707	0.6
69.07050	9.5
70.06541	0.6
71.04959	2.5
73.02877	2.1
81.03401	2.8
81.07040	4.8
83.04957	3.3
83.08583	0.5
85.02887	13.9
85.06538	0.5
85.14008	0.3
87.04471	2.6
87.08076	0.6
91.03939	0.5
93.06995	0.4
95.04932	0.4
95.08562	0.8
97.02856	6.6
97.06490	1.5
97.10134	0.6
99.04410	1.5
99.08038	0.5
101.02406	0.4
105.06927	0.4
107.08561	1.7
107.13857	0.4
109.02863	2.0
109.10172	0.6
123.11663	1.5
125.09588	1.6
127.03882	1.9
127.11116	0.4
136.06158	54.4
137.04530	1.7
139.11172	0.6
143.10661	0.9
144.44574	0.4
145.04922	0.5
147.04292	0.4
148.06158	25.3
151.11165	2.8
155.05611	2.5
169.12184	3.9
185.11664	0.5
186.12024	0.6
187.09612	0.6
187.13242	2.0
204.12405	9.8
222.13455	100.0
223.13641	0.5
234.09309	0.4
238.05128	0.6
259.17374	0.4
264.14474	0.5
318.08215	0.4
384.13428	8.1
384.18668	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	383.2576
Annotation	C25-Epoxy-apo-aldehyde
Peak:m/z	Relative Intensity
53.03942	4.0
55.01868	2.8
55.05506	23.6
57.07067	13.2
59.04986	3.5
64.84996	1.7
65.03899	1.6
67.05492	36.1
67.52554	1.5
69.03413	14.0
69.07047	11.2
71.04971	4.2
72.17040	1.7
73.03014	1.7
76.55538	1.6
76.67739	1.7
79.05465	36.5
81.07041	35.1
82.50282	1.8
83.04932	2.9
84.58490	1.8
85.06507	6.8
91.05460	54.3
92.20248	1.8
93.07022	100.0
95.04943	30.5
95.08585	45.8
97.06499	8.6
105.07012	86.9
107.04974	2.4
107.08583	34.8
108.13174	1.7
109.06513	23.5
109.10149	18.8
111.08070	3.3
117.07005	18.5
118.54366	1.7
119.08565	55.9
120.09344	3.9
121.06495	15.8
121.10138	42.0
123.08049	21.9
126.21024	1.9
128.06210	12.7
129.06952	15.8
130.07750	10.9
131.08548	25.7
132.09377	2.1
133.06480	8.6
133.10100	32.6
135.08017	22.1
135.11646	3.0
137.09581	11.6
141.06956	3.6
142.07773	25.4
143.07652	2.3
143.08562	28.2
144.09335	8.4
145.06487	2.3
145.10114	42.0
147.08020	23.6
147.11703	13.6
149.09612	18.8
149.13284	2.8
149.32025	2.0
151.07509	20.9
153.06923	2.5
155.08537	8.8
156.09323	11.9
157.10124	26.9
158.10925	2.6
159.08044	8.5
159.11617	14.8
160.08818	3.5
161.09616	15.3
161.13245	3.7
163.11183	2.6
165.06987	3.3
165.09084	26.8
167.08556	3.0
169.10077	3.5
170.10895	4.1
171.11647	10.6
173.09563	8.4
173.13206	3.5
175.11115	13.5
175.14676	6.6
177.09094	3.3
179.08572	7.7
181.10040	2.5
182.10973	2.0
183.11653	7.3
185.09619	2.9
185.13263	12.4
187.11134	2.6
189.12733	4.3
191.10674	1.9
193.10123	2.5
194.10910	2.4
195.11617	2.4
197.13135	2.8
199.11176	2.8
199.14870	2.9
201.12733	3.6
203.14264	13.6
207.11778	4.2
207.13617	5.3
209.13269	3.5
213.12563	2.9
215.14224	3.1
219.13763	2.7
221.15324	38.3
227.14328	3.9
231.13770	2.8
234.16122	3.4
241.15880	2.2
265.15155	2.2
283.06140	3.3
287.20050	2.4
303.19382	9.4
365.24728	9.1
383.25662	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	383.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.8
55.05507	26.7
57.07061	14.4
59.04984	5.6
62.07450	2.7
67.05496	34.9
69.03419	8.6
69.07042	5.3
71.04953	6.2
79.05472	40.3
81.07041	33.1
83.04879	3.7
91.05453	62.1
93.07026	100.0
95.04938	34.8
95.08575	40.6
97.06513	7.8
105.07018	76.6
107.08590	33.3
108.13186	3.4
109.06525	15.2
109.10152	22.9
115.05450	6.7
117.06992	8.1
119.08559	58.3
121.06481	16.9
121.10112	38.6
123.08067	33.5
128.06238	5.3
129.06978	17.2
130.07758	7.6
131.08556	32.3
133.10118	34.6
135.08018	8.8
137.09575	6.4
141.07024	5.9
142.07764	18.3
143.08556	24.6
144.09337	8.4
145.10110	34.7
147.08035	26.8
147.11688	8.0
149.09615	16.4
151.07497	24.0
155.08495	6.9
156.09283	8.9
157.10110	30.1
159.07985	6.3
159.11641	18.3
161.09586	14.7
161.13216	8.7
162.87518	3.9
163.11093	5.1
165.09062	27.0
165.30489	3.8
169.10130	6.8
170.10942	4.9
171.11594	4.0
173.09572	8.8
173.13205	5.4
175.11139	7.5
179.08598	4.2
183.11647	6.9
185.13225	8.1
189.12727	3.7
201.12665	4.7
203.14307	15.1
207.13731	5.2
219.13794	3.9
221.15352	35.5
365.24750	14.7
383.25842	49.0
399.28070	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	383.2425
Annotation	Unknow
Peak:m/z	Relative Intensity
53.05323	5.5
55.01857	26.0
55.05507	64.5
57.03417	23.5
59.60971	5.0
67.05490	75.8
69.03395	8.7
69.07053	49.3
71.04954	6.2
74.22417	4.5
79.05484	61.8
81.03384	26.9
81.07036	100.0
82.15202	5.9
83.04958	29.8
83.08611	31.6
85.02897	27.1
91.05441	29.0
93.07033	46.2
95.04932	33.2
95.08592	48.2
97.02867	6.3
97.06485	6.0
97.10139	38.0
101.51500	5.2
105.07015	39.4
107.04924	9.6
107.08584	39.2
108.33373	5.0
109.10146	11.5
111.04443	21.4
111.08048	6.2
114.37211	5.8
117.07001	7.4
119.08560	39.6
121.10142	21.1
123.08052	38.9
125.09599	34.0
131.08534	11.5
133.10118	9.7
135.07959	5.6
135.11717	12.4
137.09637	7.8
142.99850	5.3
145.10112	6.4
147.11652	9.6
149.13234	7.9
163.11179	12.5
173.63229	6.0
175.14659	5.2
181.77696	5.4
189.11197	12.4
263.00351	5.5
273.18332	6.4
291.19476	33.2
313.31873	5.7
328.13837	5.9
338.70676	6.3
365.23087	6.6
368.29672	6.0
383.24152	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	383.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27246	0.6
53.03936	0.7
55.01860	1.4
56.96569	1.0
57.03427	3.0
61.02906	3.2
65.80377	0.7
66.00327	0.8
69.03413	10.9
70.06576	1.2
73.02874	0.7
74.02419	1.2
78.91935	0.6
79.05479	0.8
81.03394	7.4
81.07040	0.8
82.02931	1.2
83.05005	1.2
84.08131	1.8
85.02891	24.7
86.09689	46.4
88.73142	0.8
91.05444	0.7
92.89584	0.8
94.06534	3.5
95.01335	0.9
95.04945	0.9
97.02865	7.4
98.97591	1.1
99.04440	1.6
109.02879	3.3
109.10205	0.7
110.07132	3.3
118.06513	1.8
121.06458	1.0
121.10096	0.8
127.03925	3.8
130.06499	47.0
130.08609	3.3
131.11769	12.2
132.04416	25.9
132.08057	1.6
132.10138	2.4
134.06000	1.4
138.05450	0.9
143.07234	1.0
144.08076	7.9
146.05919	7.2
148.07518	0.7
156.06795	0.9
156.08037	4.5
157.07585	20.3
158.05984	70.7
159.09151	5.9
160.07576	2.9
162.05472	4.1
170.05968	1.8
171.06734	1.3
171.09125	1.1
172.07518	5.2
174.05492	6.1
175.08629	100.0
176.07074	1.6
180.08015	0.8
185.07053	18.7
186.05508	3.1
186.07750	1.7
187.08620	4.0
194.04471	0.8
199.08658	7.5
200.07033	15.7
203.08105	1.1
204.06584	9.9
209.10466	0.9
210.52087	0.8
217.09680	14.3
221.09169	70.4
222.09184	0.9
231.07628	9.8
243.07582	3.9
245.09253	1.3
263.10159	11.5
299.10156	8.2
311.10126	1.8
347.12335	5.3
365.13254	3.5
383.09714	1.4
383.14258	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	383.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.2
55.01861	1.5
55.05490	1.0
57.03420	4.5
61.02908	7.5
69.03416	12.8
70.06564	1.2
71.04967	2.4
73.02902	1.0
74.02457	1.3
75.64603	1.1
76.60172	0.9
79.05476	1.9
81.03395	5.4
81.07033	5.5
83.04986	1.9
85.02886	25.8
87.04449	1.0
91.05447	1.1
95.04929	1.1
95.08578	1.4
97.02872	10.1
99.04404	1.3
99.08077	2.1
105.07043	1.0
107.04977	1.4
109.02822	2.1
110.41424	0.9
115.05430	7.4
120.08063	1.3
121.10135	1.3
123.08012	1.4
124.18941	1.0
127.03861	3.8
130.06497	10.1
132.08054	3.8
134.06001	7.1
146.05975	5.8
148.07567	20.2
151.03917	1.5
158.05972	34.5
160.06323	1.2
160.07530	38.4
162.05473	89.5
162.60295	1.0
167.10640	2.2
168.10939	1.0
172.07471	3.4
175.08615	40.7
176.06931	1.2
181.71585	1.0
184.07634	1.6
185.08020	1.4
185.11653	1.2
186.05466	59.2
186.12114	1.2
187.05977	1.1
198.05579	1.3
204.06529	100.0
221.09171	72.1
228.06529	4.0
245.09122	1.9
252.07394	1.3
263.10327	1.6
287.10236	1.3
297.14261	1.2
317.90298	1.0
365.13461	1.6
383.14029	12.8
402.95590	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.9982
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96559	11.3
71.95248	0.8
74.43774	0.3
98.97560	100.0
116.98598	86.4
134.99635	47.6
140.00154	0.8
144.25084	0.3
153.00693	7.5
158.01271	1.3
174.97632	0.8
177.00854	0.4
181.03424	0.7
192.98708	2.4
193.98805	0.5
199.04475	1.4
216.98694	2.5
217.98874	0.4
219.01956	0.5
232.96536	0.6
233.96793	0.4
234.99724	6.1
235.99812	2.1
240.98573	2.9
250.97614	0.7
251.97659	0.7
256.96561	0.5
257.96735	0.7
258.99698	37.5
259.99866	0.7
261.00064	0.4
261.03018	1.9
274.97650	5.4
275.97873	2.9
277.00760	91.0
278.00903	2.8
279.00793	0.5
282.99924	1.3
292.98651	3.2
293.98672	0.4
295.01846	2.2
298.97723	1.9
299.97748	1.8
300.02460	2.0
301.00949	3.8
302.01086	0.5
303.00867	0.6
316.98746	4.4
317.98822	6.6
334.18607	0.4
341.98798	0.7
358.99854	1.7
359.99863	3.2
382.99890	0.6
401.00909	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	382.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54216	0.2
51.51814	0.2
52.89091	0.2
60.79956	0.2
65.02094	0.2
69.07090	0.2
70.06595	0.3
71.01348	0.4
71.04962	0.4
71.10397	0.2
71.92992	0.2
79.05526	0.2
84.08147	0.4
84.59072	0.2
85.02885	1.3
86.09686	100.0
87.04501	0.3
87.10021	0.3
89.06030	0.3
94.29264	0.3
95.04933	0.3
97.02888	0.3
100.76542	0.3
112.03947	1.1
113.22307	0.2
121.06480	0.4
130.08673	0.5
131.11797	0.5
132.10172	41.4
142.05008	0.9
175.08667	0.3
184.62845	0.3
200.25989	0.3
203.08997	0.3
220.06308	0.3
242.95955	0.3
289.46146	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	1.0
55.05500	1.6
57.03428	2.9
57.07067	1.0
59.04986	7.4
61.02913	1.7
64.33184	0.9
67.05496	6.3
69.03407	3.9
69.07042	3.9
71.04977	14.2
73.02891	0.7
74.21992	0.7
79.05474	9.5
81.03403	1.6
81.07035	37.5
83.04963	3.0
83.74072	0.6
85.02893	11.1
91.05477	0.8
93.07014	13.8
95.04948	7.4
95.08584	15.0
97.02876	2.7
97.06490	10.8
97.10146	0.9
104.00291	0.9
105.06998	5.9
107.04928	1.4
107.08566	8.1
109.06489	1.3
109.10149	0.9
115.26779	0.7
121.10120	100.0
123.08067	2.9
123.11679	26.1
125.05961	13.5
125.09637	1.0
127.03887	2.7
127.53331	0.7
131.08563	1.0
138.00591	0.8
139.11151	25.1
149.09601	8.5
167.10641	58.0
167.74411	0.7
185.11699	18.0
187.84663	0.7
203.12770	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	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
50.60706	0.3
55.05498	0.8
57.03427	0.5
57.07050	0.7
59.04993	3.4
61.02903	0.3
67.05505	0.5
69.03406	1.7
69.07061	2.9
71.04977	34.6
79.05122	0.3
79.05485	4.6
81.03403	0.3
81.07038	22.1
83.04955	0.5
83.08588	0.4
85.02876	4.0
85.06536	0.5
91.05470	0.5
93.07027	4.8
95.08589	7.9
97.02858	1.5
97.06521	5.1
97.10134	0.3
101.06088	0.3
105.07005	1.4
107.04977	0.6
107.08586	5.6
109.02883	0.4
109.06492	0.4
109.10152	0.4
111.08039	0.5
121.10124	60.5
122.07402	0.3
123.08047	1.5
123.10785	0.6
123.11687	17.7
124.98894	0.4
125.05972	10.8
125.09620	2.5
139.11159	27.8
143.10577	0.4
149.09605	5.5
167.10646	30.5
185.11700	100.0
192.41173	0.4
203.12759	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	382.2068
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05497	3.9
57.03424	4.8
59.04989	1.2
60.04519	0.9
61.02920	1.8
61.70046	0.7
64.72522	0.8
67.05141	1.6
67.05493	35.2
69.03419	5.6
69.07047	3.9
71.04973	6.5
73.02903	3.5
74.08003	0.7
79.05475	37.2
81.03407	0.9
81.07036	30.5
83.04966	4.4
85.02888	17.3
85.06563	0.8
85.76492	0.8
86.40269	0.7
91.05466	3.7
93.03422	1.7
93.07014	5.3
95.04945	1.2
95.08595	5.4
97.02872	5.3
97.06505	5.6
97.10146	1.5
99.04438	1.3
105.07011	3.7
107.04940	1.7
107.08579	100.0
109.06509	1.9
109.10140	19.4
110.07133	1.6
111.04430	40.9
113.31240	0.8
115.07540	1.5
117.06968	3.2
121.10126	24.2
123.08009	1.2
123.11690	4.4
125.06007	4.5
125.09608	20.2
127.03918	1.5
131.08525	1.1
135.08037	15.7
139.11162	7.1
144.74207	0.9
145.04962	1.2
149.09578	5.3
153.08104	1.8
153.09085	83.3
167.10646	17.8
171.10133	92.5
173.94676	0.8
181.51453	0.8
185.11688	14.2
185.13179	1.1
201.32634	0.8
203.12766	36.8
207.50543	0.9
225.74367	0.8
382.11694	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2067
Annotation	Unknow
Peak:m/z	Relative Intensity
53.80659	0.5
55.05499	2.4
57.03421	0.8
57.35627	0.5
59.04970	4.1
60.29959	0.5
64.71533	0.5
67.05485	2.6
69.03399	3.1
69.07035	2.2
69.78988	0.6
71.04970	30.0
72.28241	0.6
79.05461	4.2
81.03397	0.6
81.07038	19.8
81.07499	0.8
81.78668	0.7
85.02889	7.8
85.06523	1.1
93.07009	7.2
94.19527	0.6
95.08575	7.4
96.52414	0.7
97.02875	1.4
97.06516	4.5
99.08059	0.7
102.09147	0.6
105.07010	1.1
107.08561	6.9
119.30254	0.6
119.38164	0.6
121.10117	55.5
123.08028	3.1
123.11681	15.7
125.05951	10.0
125.09611	5.0
139.11154	28.3
143.10741	0.7
149.09590	6.5
156.51929	0.7
167.10645	27.4
169.19765	0.6
185.11694	100.0
203.12718	4.1
219.71902	0.6
236.47531	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	382.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
54.30386	0.6
55.01868	1.4
55.05498	1.3
57.03424	2.5
59.04980	0.7
61.02913	1.1
63.89418	0.6
65.03910	0.8
67.05492	30.9
67.05846	1.1
69.03424	4.6
69.07056	2.9
70.00636	0.7
70.15445	0.6
71.04987	5.2
73.02897	4.1
79.05476	35.1
81.03402	1.2
81.07040	27.5
83.04964	6.0
85.02890	14.9
85.06492	0.6
87.04489	1.0
91.05471	3.4
93.03406	1.2
93.07039	10.3
94.37877	0.6
95.04968	1.2
95.08582	3.9
97.02863	3.7
97.06532	1.7
97.10176	1.5
99.05581	0.6
99.08131	0.6
105.07026	3.9
107.04941	1.3
107.08582	93.8
109.02827	0.9
109.06490	2.7
109.10148	20.9
110.07208	0.9
111.04425	31.3
111.05150	1.4
111.08086	1.4
117.06986	3.0
121.10136	14.7
123.08045	4.7
123.11667	1.4
125.05963	3.1
125.09608	17.2
125.71586	0.8
127.03896	1.0
131.08551	3.9
135.08034	11.3
139.11172	2.8
145.04965	1.3
149.09595	8.9
153.09085	75.7
160.27226	0.7
167.10632	15.1
171.10133	100.0
185.11705	14.8
203.12759	29.3
382.11737	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	382.2064
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.3
55.05499	20.8
57.03423	5.7
57.20152	1.3
59.04986	7.8
60.04497	6.6
61.02885	5.7
61.72938	1.4
64.46555	1.3
67.05480	8.4
67.45049	1.2
69.03407	21.2
69.07053	14.9
71.04967	18.6
73.02881	1.7
75.76753	1.2
76.73234	1.2
79.05483	14.8
81.03387	5.6
81.07039	24.7
83.04959	24.7
83.08624	2.0
85.02885	37.5
85.06513	6.5
87.00804	6.2
87.04447	3.3
88.73642	1.5
91.05446	2.2
92.08681	2.6
93.07029	18.4
95.04935	8.9
95.08568	21.2
97.02861	19.0
97.06512	18.5
97.10211	1.4
99.04464	1.7
99.08077	2.8
101.05971	14.9
105.01853	6.2
105.07019	3.0
107.08571	49.0
109.02827	2.9
109.06478	8.4
109.10156	20.7
111.08072	2.1
111.11683	1.9
113.05982	1.9
115.07505	1.9
116.70252	1.5
119.08496	2.0
121.06473	2.1
121.10116	28.2
123.08024	20.0
125.05924	2.8
125.09602	48.8
127.03922	11.3
129.05446	2.7
131.08542	2.0
136.08817	14.2
137.09581	20.9
139.11153	48.7
141.09056	6.0
144.69733	1.3
145.04945	6.8
149.09634	12.5
155.10622	13.7
157.12207	3.2
167.10629	88.1
185.11691	66.7
203.12738	100.0
231.04688	1.7
270.43100	1.4
383.13007	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	381.2759
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07058	2.1
63.37523	0.4
64.66583	0.5
69.51337	0.4
69.51713	0.5
71.08604	0.9
81.07043	0.7
86.09733	0.7
89.06007	11.5
90.06326	1.3
96.43214	0.5
105.07011	0.6
107.07029	0.7
109.10109	0.5
125.00022	0.7
133.08549	3.7
144.61824	0.5
163.01366	0.6
169.29152	0.5
177.11145	0.7
195.12239	7.8
196.12625	2.0
283.06229	0.5
381.27542	100.0
382.27664	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.3146
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	23.4
57.07064	4.6
63.00210	2.8
64.36275	2.5
67.05489	32.6
69.07056	18.7
79.05472	33.4
81.07034	100.0
83.08596	15.9
85.06524	31.3
89.06012	6.7
91.05460	29.9
92.09298	3.4
93.07014	70.8
95.04859	3.3
95.08585	83.5
97.06514	3.3
105.07016	75.7
107.08571	53.2
109.10146	36.8
111.08086	3.7
117.06979	7.7
119.08553	75.3
121.10136	40.7
123.11680	17.5
131.08534	25.4
133.10088	32.4
135.11668	15.8
142.07790	4.7
143.08559	16.3
145.10074	34.1
147.11656	24.4
149.13228	17.7
157.10086	16.3
159.11668	38.3
161.13264	19.9
163.14839	6.7
169.10201	7.5
171.11678	15.0
173.13210	19.3
175.14796	7.2
183.11719	5.8
185.13283	7.3
187.14760	16.7
189.16370	15.4
195.12120	6.7
196.12640	4.3
199.14752	12.4
201.16370	7.4
211.14848	4.0
213.16415	6.7
215.17949	5.3
227.17941	5.8
246.13179	3.0
255.21140	3.3
273.68542	3.5
283.24115	5.7
363.30356	23.6
377.29810	3.3
381.31421	63.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	381.227
Annotation	Unknow
Peak:m/z	Relative Intensity
51.40936	2.0
53.03933	2.3
55.01866	4.1
55.05512	3.3
57.03423	9.9
61.02906	20.4
67.05492	16.7
68.53722	1.7
69.03413	45.8
69.07045	5.2
71.04969	3.1
73.02880	8.4
74.08694	2.3
75.23922	1.9
79.05466	12.0
81.03408	23.6
81.07021	23.3
83.08602	2.2
85.02886	100.0
87.04427	8.3
91.03962	3.4
91.05476	16.2
93.07027	26.0
95.08580	11.7
97.02869	33.9
99.04421	4.5
105.07007	47.2
107.08569	13.7
109.02839	14.6
109.10132	21.1
117.06976	10.5
119.08546	40.7
121.10112	7.7
124.14147	2.7
125.09600	12.8
127.03912	13.1
129.64342	2.1
130.07790	2.6
131.08519	26.4
133.10103	4.7
135.11673	11.3
144.09268	2.8
145.04915	13.5
145.10095	60.7
159.11662	33.3
161.13275	2.7
163.11127	10.1
196.95055	2.1
201.16330	23.2
213.63422	1.9
219.17392	41.2
381.14938	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	381.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
53.10812	4.3
55.01868	6.7
55.05487	11.4
56.96560	5.4
57.03421	24.4
61.02918	7.9
61.67055	4.6
64.88596	5.4
67.05492	27.3
69.03416	28.3
69.07053	25.8
70.06591	5.0
71.04981	8.9
81.03413	8.6
81.07026	36.0
83.08630	6.9
85.02885	80.5
85.06516	30.6
86.09666	5.5
91.05487	7.2
92.39048	6.5
93.07014	22.4
95.04947	8.6
95.08588	44.7
97.02865	19.5
97.23305	4.7
98.17521	5.7
98.97563	6.3
99.04426	11.9
99.08076	9.7
105.07002	7.0
107.08577	19.8
109.10133	55.2
113.06001	30.4
115.05496	10.4
116.98605	7.5
119.08566	9.7
121.10083	10.9
123.08086	8.4
123.11678	8.5
128.06210	22.4
129.07040	10.9
131.08565	27.4
137.09592	8.7
138.57617	5.2
141.06979	26.0
143.08534	25.1
145.06435	5.5
147.11771	6.0
157.06473	8.2
158.07263	9.2
159.07985	10.8
169.06465	5.5
171.08025	25.3
174.06721	59.4
175.07558	25.9
183.10184	9.9
183.13785	36.5
183.17392	11.4
184.14122	7.0
188.08235	10.9
189.09000	56.0
201.09145	12.7
201.11139	5.4
203.10606	46.6
219.10123	100.0
263.22589	5.5
361.97806	6.3
375.43433	5.4
381.14923	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	381.1538
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	5.0
53.10812	4.3
55.01868	6.7
55.05487	11.4
56.96560	5.4
57.03421	24.4
61.02918	7.9
61.67055	4.6
64.88596	5.4
67.05492	27.3
69.03416	28.3
69.07053	25.8
70.06591	5.0
71.04981	8.9
81.03413	8.6
81.07026	36.0
83.08630	6.9
85.02885	80.5
85.06516	30.6
86.09666	5.5
91.05487	7.2
92.39048	6.5
93.07014	22.4
95.04947	8.6
95.08588	44.7
97.02865	19.5
97.23305	4.7
98.17521	5.7
98.97563	6.3
99.04426	11.9
99.08076	9.7
105.07002	7.0
107.08577	19.8
109.10133	55.2
113.06001	30.4
115.05496	10.4
116.98605	7.5
119.08566	9.7
121.10083	10.9
123.08086	8.4
123.11678	8.5
128.06210	22.4
129.07040	10.9
131.08565	27.4
137.09592	8.7
138.57617	5.2
141.06979	26.0
143.08534	25.1
145.06435	5.5
147.11771	6.0
157.06473	8.2
158.07263	9.2
159.07985	10.8
169.06465	5.5
171.08025	25.3
174.06721	59.4
175.07558	25.9
183.10184	9.9
183.13785	36.5
183.17392	11.4
184.14122	7.0
188.08235	10.9
189.09000	56.0
201.09145	12.7
201.11139	5.4
203.10606	46.6
219.10123	100.0
263.22589	5.5
361.97806	6.3
375.43433	5.4
381.14923	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	381.15
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04176	0.7
54.80727	0.7
54.81358	0.6
55.01854	1.1
55.05490	1.1
56.04991	1.0
56.96554	1.3
57.03423	1.6
60.04244	1.5
60.04517	25.0
61.02903	4.2
68.05015	12.5
69.03415	11.5
70.06571	10.5
71.04955	1.4
72.04494	20.1
73.02907	5.5
73.06535	1.4
74.06041	1.0
80.04999	1.3
81.03413	7.5
84.04505	6.7
84.08128	7.6
85.02892	21.9
88.03982	7.3
91.03922	1.0
91.49139	0.8
95.01289	3.9
96.04469	44.1
97.02866	17.7
98.06031	18.8
98.97557	5.6
100.03938	1.7
109.02849	1.0
112.03946	24.2
112.07570	1.2
112.74088	0.8
113.02349	28.5
114.05515	37.4
116.07070	1.4
116.98593	3.5
119.01798	0.8
123.04414	0.8
124.03927	34.0
125.02327	28.9
126.09122	1.5
127.03873	1.2
130.04996	1.7
132.06531	0.8
135.16374	1.0
138.05479	4.1
141.10191	1.7
142.04976	75.0
143.03362	4.3
144.10161	5.8
146.06003	1.1
146.99611	0.9
153.03102	0.9
155.04616	3.6
158.99602	1.4
160.06049	22.8
160.07431	2.6
165.04263	1.2
166.04884	1.4
169.09671	0.9
172.06056	1.2
172.07465	1.2
172.09674	1.5
176.06975	1.1
177.00677	4.2
184.06033	3.8
184.07541	0.9
186.05516	0.9
200.09058	0.9
202.07076	100.0
213.12292	1.7
219.01677	1.1
237.02664	1.4
245.58255	1.2
255.37018	0.9
272.10046	4.2
303.03317	0.9
309.08514	1.9
381.12869	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	381.0793
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66431	0.9
52.87494	0.8
54.24581	0.8
56.24607	0.8
56.92998	0.8
60.20910	0.9
63.12377	0.8
73.59557	1.0
134.37755	1.0
201.01495	1.8
219.02600	1.1
236.17984	1.0
323.91113	1.1
375.41687	1.1
381.07855	100.0
382.08331	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	381.1151
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.4
55.05503	17.9
56.05808	1.6
57.03421	5.2
57.07056	4.3
59.04976	2.1
61.02898	1.0
62.95393	1.0
67.05485	24.2
69.03406	6.1
69.07050	18.9
70.07372	1.3
71.04957	13.3
73.83060	1.0
76.55865	0.9
76.97923	1.3
79.05460	5.4
80.94347	0.9
81.07035	68.7
82.07363	6.9
83.04974	2.6
83.08601	19.8
85.02860	12.1
85.06520	17.9
85.97716	1.0
86.03240	1.2
91.05457	7.1
92.08656	1.4
93.07009	11.7
94.07389	1.8
95.04984	1.6
95.08578	40.8
96.08903	2.5
97.02865	4.0
97.06468	1.7
99.04423	1.6
99.08079	9.8
105.07006	23.8
106.07328	2.1
107.08578	16.0
108.08927	2.1
109.06508	2.7
109.10141	22.7
111.08044	1.2
113.05993	1.6
113.09617	2.5
119.08549	12.0
120.08042	1.3
120.08833	1.4
121.10120	23.3
122.10471	4.3
123.11678	100.0
124.12004	26.5
127.07522	5.1
127.11111	1.9
133.10080	1.4
135.11679	1.3
137.13211	8.9
139.11162	1.7
142.77556	1.1
145.10104	2.4
147.11653	43.4
148.11990	13.0
157.10063	1.9
159.11723	1.4
165.12697	34.3
165.16380	1.9
166.13049	11.6
183.13760	34.8
183.17337	9.3
184.14082	14.3
185.04205	5.5
201.14809	32.4
201.16551	2.2
201.18491	4.3
202.15158	10.8
219.04230	1.8
219.06261	32.0
219.08287	1.1
219.19499	2.2
256.46948	1.3
381.11438	33.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.7
55.05497	3.1
57.03423	4.2
57.07069	1.0
59.04983	5.2
61.02919	6.5
67.05489	7.1
69.03406	5.7
69.07056	18.5
71.04973	11.3
73.02883	1.7
73.06520	0.9
79.05476	7.2
81.03412	3.6
81.07035	28.6
81.07475	1.5
82.14115	0.8
83.04963	1.0
83.08607	6.7
85.02885	20.6
85.06522	27.9
89.88844	0.8
91.05458	5.4
93.07024	12.3
95.04962	1.7
95.08582	21.8
97.02872	6.2
97.06512	5.0
97.10152	0.8
99.04443	4.9
99.08087	4.1
105.07018	17.0
107.08575	100.0
109.02866	0.9
109.06489	13.1
109.10110	8.4
111.08068	1.8
113.05978	7.4
115.07558	0.8
119.08557	12.8
121.10117	63.0
121.21478	0.9
121.66304	0.8
123.08064	14.1
123.10774	1.9
123.11679	54.2
125.09604	66.7
127.03898	1.7
127.07523	1.6
135.11676	5.2
137.09589	27.0
137.13222	1.6
138.21057	0.8
145.04948	1.9
147.11665	68.7
153.12738	3.5
155.10687	1.0
164.51714	0.9
165.12717	86.3
183.10353	2.8
183.13771	93.0
201.11189	1.0
201.14833	38.3
206.48125	0.8
253.34747	0.8
322.99503	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	3.3
55.01862	7.7
55.05502	7.2
57.03419	3.8
59.04994	2.8
61.02915	2.5
61.60818	1.6
67.05487	12.3
69.03413	10.3
69.07054	20.7
71.04974	84.8
79.05473	32.5
81.03397	3.6
81.07036	34.5
83.04958	11.9
85.02888	17.1
85.06527	22.4
86.09685	9.5
87.04457	3.0
91.05458	11.0
92.09286	4.5
93.07016	32.7
95.04953	8.1
95.08578	33.5
97.02897	2.0
97.06502	14.6
99.04450	17.2
99.08071	3.2
105.07017	29.0
107.04961	1.9
107.08582	35.9
109.06473	2.2
109.10137	19.5
111.08052	7.5
113.05994	10.1
119.08559	19.8
121.10126	18.3
123.04414	2.4
123.08039	8.0
123.11681	8.9
125.09612	36.7
127.07559	3.8
137.09642	14.5
137.13235	4.4
139.07536	1.9
139.11136	1.7
141.09125	2.5
147.11668	27.9
155.10660	9.9
165.09125	10.8
165.12708	88.2
183.10207	21.0
183.13770	100.0
189.77811	1.8
201.11157	14.2
201.14923	2.0
206.40019	2.0
218.13795	2.2
235.26111	2.0
271.55621	1.8
307.97931	2.1
401.42007	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2272
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	0.5
55.05503	10.0
57.03430	3.1
57.07059	0.5
59.04986	2.5
63.22720	0.5
67.05489	16.0
69.03415	4.6
69.07049	7.7
71.04972	7.4
74.06055	0.7
79.05473	3.4
81.07036	53.2
83.04973	1.4
83.08600	15.6
85.02880	5.9
85.06528	12.6
85.07994	0.5
91.05453	10.5
93.07019	7.1
95.08588	19.6
97.02881	0.8
97.06522	2.2
99.04478	0.5
99.08060	3.6
101.06030	0.6
105.07007	18.7
107.08579	12.2
109.06513	2.3
109.10137	6.1
111.08049	2.7
113.05997	3.6
119.08568	5.7
120.08086	1.1
120.24033	0.5
121.10120	16.2
123.08079	2.5
123.11678	100.0
124.12036	0.7
125.09634	1.1
127.07536	7.9
129.66841	0.5
137.05989	0.8
137.09613	1.1
137.13229	6.5
139.11142	2.0
141.09009	0.7
147.11661	38.3
165.09094	1.2
165.12712	33.6
183.10199	0.9
183.13763	42.2
201.14813	30.1
224.18034	0.7
329.78433	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
52.23066	0.8
53.00292	4.4
53.03945	1.1
55.01854	4.2
55.05490	7.4
57.03420	2.3
59.04979	1.4
60.04507	1.1
61.02902	4.4
67.05492	8.8
69.03411	9.4
69.07042	7.3
71.04974	100.0
73.02893	2.2
73.06539	1.7
79.05471	36.3
81.03392	4.5
81.07034	44.8
83.04950	4.9
83.08614	1.1
85.02882	29.7
85.06516	7.6
86.09660	0.9
91.05448	9.9
93.07021	35.5
95.04935	5.5
95.08578	23.6
97.02879	9.2
97.06523	10.9
98.90545	1.0
99.04401	1.5
99.08067	9.9
101.06006	4.9
105.07015	22.5
107.08580	24.3
109.02873	3.9
109.06480	8.6
109.10146	8.9
109.93911	1.1
111.08058	2.3
113.05987	4.1
119.08549	17.0
121.10108	15.2
123.08028	14.3
123.11676	8.4
125.09582	7.2
127.03871	1.9
127.07556	2.3
134.69434	1.0
135.11577	1.3
137.09627	8.9
137.13223	5.0
139.07532	1.3
139.11160	1.5
145.04921	2.5
147.08075	1.7
147.11662	24.5
151.07492	1.5
155.10580	2.1
165.05388	1.4
165.09052	7.5
165.12706	90.0
183.10172	12.2
183.13760	55.2
195.67307	1.3
197.07326	0.9
201.11151	10.5
201.14914	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	380.1913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.8
55.01856	6.4
55.05493	7.9
55.43848	1.1
57.03420	12.9
58.29226	1.2
59.87678	1.2
60.04515	29.2
61.02910	7.9
65.18423	1.4
67.05495	22.1
69.03412	15.0
69.07055	13.7
70.06556	1.4
71.04990	10.9
72.54823	1.3
73.02890	3.2
74.09689	1.7
79.05476	25.2
81.03399	15.2
81.06597	1.8
81.07043	39.6
83.04964	16.3
83.08611	3.3
85.02892	49.1
85.06513	7.9
87.04438	3.3
90.69473	1.5
91.05457	17.4
93.07019	33.9
95.04954	31.1
95.08588	55.5
97.02871	14.2
97.06515	23.1
98.97544	2.3
99.04438	10.1
101.02319	1.5
105.07003	14.6
107.04943	10.7
107.08578	16.6
109.02874	2.1
109.06506	27.0
109.10144	56.9
110.97511	1.6
111.04422	6.4
111.08070	19.2
113.02396	2.7
113.05997	12.5
115.03893	8.1
115.07530	3.5
116.98634	2.0
117.06995	3.3
119.04920	2.1
119.08563	72.9
120.08053	1.5
121.06467	2.5
121.10104	11.4
123.04397	2.6
123.08057	47.9
123.11683	6.2
125.05983	9.6
125.09577	6.1
127.03858	6.5
127.07558	3.2
131.08563	1.7
135.07979	2.1
137.05939	2.2
137.09598	56.1
139.07506	9.1
141.05496	2.6
141.09088	2.8
143.07011	17.0
145.04927	2.4
147.04367	6.7
147.08032	24.2
147.11658	1.7
153.09146	10.8
155.10658	10.9
165.09088	67.4
171.10107	2.2
183.10139	100.0
201.11179	36.6
218.08064	25.9
237.02782	1.5
321.02118	1.7
344.24121	2.0
362.25317	3.3
380.26364	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	380.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01860	2.3
55.05499	2.0
57.03418	1.7
60.04501	2.8
60.12013	0.3
61.02895	0.8
67.05476	3.5
68.99776	2.2
69.03402	3.2
69.07039	0.4
71.04979	0.8
73.02896	0.7
79.05455	5.8
81.03384	4.3
81.07031	7.2
83.04963	5.3
83.08574	2.1
85.02882	8.7
91.05451	2.1
93.06987	2.7
95.04940	2.0
95.08575	12.2
97.02850	2.3
97.06511	1.6
97.25206	0.3
99.04424	1.6
105.07004	14.6
107.04917	3.4
107.08576	0.8
109.02851	32.2
109.06506	3.1
109.10122	2.1
111.04388	0.5
119.08545	1.6
123.08034	14.4
125.06100	0.5
127.03880	83.8
133.06438	3.9
137.09578	2.5
141.05409	4.6
145.04912	0.4
150.43587	0.4
151.07506	15.2
153.09175	0.6
155.10637	1.7
165.09091	2.7
169.08549	100.0
170.23160	0.4
183.10115	7.7
201.11174	28.5
380.10165	1.5
380.26434	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2603
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.1
57.07051	4.8
69.07058	5.8
79.05477	4.6
80.50612	2.7
81.07035	15.1
93.07021	7.1
95.08598	7.4
105.07032	7.2
107.08578	13.2
119.08575	4.5
121.10121	3.1
135.08075	10.7
165.09035	5.2
298.49783	3.2
347.25845	15.2
379.25861	100.0
379.29898	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	379.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.3
54.81935	0.8
54.93187	0.7
55.01854	1.7
55.05504	16.5
57.03432	1.9
57.07061	8.3
67.05490	35.2
69.03410	3.4
69.07053	27.9
71.04972	6.0
71.08621	1.1
79.05053	1.5
79.05475	26.3
81.07035	100.0
83.04962	1.4
83.08602	12.9
85.02860	3.1
85.06053	1.0
85.06525	25.1
91.05462	13.3
92.62868	0.8
93.07020	47.2
95.04929	1.8
95.08580	68.7
97.06500	14.2
97.10142	4.6
99.08067	14.8
105.07008	26.5
107.04910	0.9
107.07861	1.8
107.08575	45.6
109.06538	3.2
109.10136	38.3
111.08055	21.7
111.11696	3.9
117.06972	3.2
119.08551	21.8
120.08028	1.1
121.10112	33.7
123.08043	4.4
123.11671	32.8
125.09616	5.6
129.09097	1.5
131.08537	9.5
133.10091	17.7
135.11665	14.6
137.05954	1.0
137.13232	3.8
139.11165	6.9
144.08119	1.2
145.10092	12.0
147.05522	0.9
147.11650	15.3
149.13220	18.4
153.12761	5.7
159.11670	7.9
161.13194	9.8
163.14709	8.8
165.12717	5.2
173.13219	4.9
175.14758	7.5
177.16325	5.3
181.04866	1.6
181.12115	1.0
181.15848	3.5
183.13850	1.5
187.14772	1.9
189.16296	8.0
193.15910	1.7
195.17435	0.9
198.09135	1.2
199.16977	4.4
201.16298	2.1
203.17960	3.8
207.06520	1.3
207.17349	1.7
215.17912	2.1
217.17809	1.3
221.19026	1.4
229.19580	1.2
233.18973	1.7
245.22536	1.2
253.09627	1.0
263.23666	4.3
271.24112	6.6
277.25223	5.5
287.10181	1.2
289.25186	33.8
295.26175	1.9
307.26242	19.9
315.09457	1.0
325.27139	6.8
335.12143	1.1
343.28128	1.1
349.61032	0.9
367.72101	1.0
384.90964	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	379.2601
Annotation	Unknow
Peak:m/z	Relative Intensity
69.07042	3.8
76.56146	3.5
81.07019	4.3
91.05479	6.0
93.07010	6.6
95.08554	8.0
98.40266	3.7
103.35872	3.2
107.08597	5.0
119.08497	4.4
131.08530	5.0
140.65288	4.0
159.11600	3.7
203.38135	3.4
378.72067	3.5
379.26004	100.0
384.59686	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	379.1569
Annotation	Abafungin
Peak:m/z	Relative Intensity
52.45296	0.3
56.05016	0.8
57.03423	0.7
57.31165	0.3
58.06577	0.5
59.06086	0.5
71.87938	0.4
74.06060	8.8
75.04459	1.7
79.94182	0.4
81.60579	0.4
84.04475	0.5
85.02885	2.8
86.09682	2.4
91.05463	0.5
95.04948	0.7
97.02889	0.7
97.06529	0.5
98.97543	0.8
111.04390	0.4
116.98566	0.5
119.04820	0.5
123.04426	0.7
132.10161	1.9
137.05956	10.3
138.06291	5.8
140.04636	2.1
141.05025	1.7
147.04382	0.8
155.07021	0.7
157.07797	0.5
163.03902	0.6
181.04868	0.6
181.08516	0.8
182.05280	0.5
200.06387	0.7
217.10431	13.2
233.14902	3.8
234.99016	0.6
379.15656	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14554	0.3
50.64557	0.3
51.98515	0.3
53.73479	0.3
54.39389	0.4
55.01876	0.4
55.05496	9.5
57.03428	0.8
57.07065	8.9
57.13297	0.4
67.05484	2.4
69.03426	2.2
69.07044	2.0
71.04959	0.6
76.56545	0.4
79.05478	2.4
81.03419	0.5
81.07043	3.0
83.04967	7.8
85.02876	3.2
85.06535	4.8
91.05463	2.0
93.07021	7.3
95.04912	0.6
95.08595	9.1
97.02867	0.7
97.06485	3.3
99.08080	0.4
105.07026	1.8
107.08581	14.2
109.06504	3.2
109.10133	1.9
111.04424	92.2
111.08076	3.2
111.80329	0.4
113.05993	2.2
119.08518	0.9
119.76957	0.4
121.06460	1.9
121.10107	2.4
122.07222	1.5
123.08034	0.7
125.05974	24.7
127.07520	3.3
135.08029	13.9
135.11661	18.9
137.13245	1.6
139.07526	2.7
145.08960	0.8
145.10100	17.2
153.12720	5.8
157.50737	0.5
163.11151	21.4
164.11569	0.4
181.12198	100.0
199.13269	35.1
322.97031	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.3
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	15.0
57.07075	9.2
65.03913	9.3
67.05495	39.1
69.07030	10.9
70.06572	9.4
71.04965	11.3
72.93755	9.5
79.05470	53.4
81.07037	56.4
91.05466	73.0
93.07011	86.6
95.04945	14.3
95.08592	62.9
97.06487	11.5
103.01797	14.6
105.03359	58.9
105.07017	100.0
107.08571	87.8
109.06533	15.4
109.10152	20.6
119.08542	62.0
121.10103	52.7
125.09598	9.7
129.68954	8.1
131.08600	34.1
133.10124	94.0
135.11639	8.7
136.01515	9.1
143.08575	33.1
145.10056	21.4
147.11684	16.9
148.99599	17.9
149.02362	16.5
149.05952	66.8
149.09569	16.0
153.98792	39.8
157.10188	35.5
158.50235	10.4
159.11699	18.2
161.13222	13.5
162.99323	40.1
163.49425	15.5
171.11577	10.4
173.13304	10.4
175.98305	39.2
175.99985	12.3
181.27959	9.6
184.98825	13.2
197.99609	46.3
198.49757	9.3
199.14755	16.7
217.16019	8.9
256.26373	36.3
272.00259	20.0
279.51779	8.9
378.29858	47.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	1.5
55.01858	2.9
55.05499	7.2
56.01787	1.7
57.03428	8.1
59.04996	1.8
59.54686	1.6
60.04522	3.7
61.02896	6.2
67.05478	6.6
69.03411	13.5
69.07051	6.6
70.06565	6.7
71.04984	11.2
72.08183	1.4
77.47221	1.5
79.05468	17.6
81.03394	6.4
81.07040	24.3
83.04969	18.1
83.08617	1.5
84.08127	1.7
85.02885	25.3
85.06516	2.1
85.79913	1.5
87.04451	2.7
91.05453	10.9
91.54510	1.4
93.07020	47.3
95.04945	8.7
95.08588	24.2
95.57594	1.6
97.02895	6.7
97.06510	8.2
98.00267	1.7
98.97575	2.8
99.04429	1.9
99.28359	1.5
105.07006	61.8
107.04964	7.1
107.08563	43.2
109.02910	2.0
109.06517	8.7
109.10127	8.1
111.04434	15.8
111.08074	3.5
111.11678	2.1
113.06036	3.6
116.98547	2.6
117.07001	10.7
119.08582	14.9
121.06480	3.4
121.10117	100.0
123.08078	12.1
123.11686	3.7
125.05954	9.9
125.09589	3.4
130.07787	7.1
133.10094	11.3
135.08044	8.4
135.11658	22.2
137.09561	3.3
139.03937	2.1
139.07451	5.5
139.11163	23.2
141.09129	1.8
141.17747	1.7
143.08513	2.7
145.10104	93.5
148.08838	1.6
151.11215	2.4
153.09087	10.9
153.95708	1.8
159.11703	1.9
163.11151	71.1
181.08604	7.1
181.12198	84.3
199.09691	6.9
199.13248	60.4
199.15085	1.9
233.14253	1.5
307.10522	4.0
369.19122	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01005	0.5
55.01846	2.6
55.05492	1.1
57.03404	0.6
59.04979	0.6
61.02909	0.7
63.99888	0.5
67.05483	0.9
67.34757	0.5
67.54710	0.6
69.03410	3.1
69.07038	0.8
70.06550	1.1
71.04975	10.4
72.08131	0.9
79.05483	6.6
79.05873	1.0
81.03410	2.1
81.07033	5.3
83.04962	1.0
85.02868	7.5
85.06541	1.1
87.04463	0.5
91.05454	3.6
93.07017	22.8
95.08578	2.9
97.02859	2.8
97.06509	1.2
98.97486	0.6
99.04430	100.0
101.06003	0.7
105.06988	6.1
107.08575	19.0
109.10108	1.1
111.07964	0.6
117.07011	1.0
119.08554	9.9
121.06426	1.1
121.10113	88.0
123.08057	0.8
125.09635	0.9
127.03887	0.7
133.10048	0.6
135.08040	8.0
135.11644	12.0
139.07506	1.0
145.10074	5.2
153.09081	1.2
163.07492	15.9
163.11154	16.0
181.08623	7.1
181.12184	63.2
188.98959	0.6
197.87572	0.6
199.09616	6.5
236.26175	0.6
304.12857	0.5
312.16122	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77354	0.2
55.01844	0.2
55.70760	0.2
57.03421	0.3
59.06106	0.3
61.02913	0.4
69.03414	1.4
70.95345	0.2
79.05479	0.4
81.03379	0.4
85.02886	4.6
88.27992	0.2
91.05451	0.3
91.26789	0.2
93.07046	0.2
94.04166	0.3
95.04942	0.3
97.02871	0.9
97.36524	0.2
103.05466	0.4
105.07008	0.2
107.04943	0.3
107.08562	0.2
109.02857	0.3
119.04911	0.3
122.03626	1.8
127.03911	0.3
131.04887	1.3
133.06487	0.2
135.07990	0.4
137.05954	100.0
138.06311	0.2
140.04660	1.3
145.04988	0.3
151.07504	0.8
153.05498	0.4
155.07068	0.5
163.03896	0.8
163.07507	2.1
167.42097	0.2
175.07545	1.1
181.04950	1.0
181.08562	6.4
199.05992	0.4
199.09605	0.4
250.28896	0.2
251.05357	0.2
289.10629	0.2
301.46970	0.2
303.98334	0.2
307.11826	0.3
379.15540	1.2
399.88748	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01865	0.4
57.03420	0.9
57.80281	0.2
59.33689	0.2
60.04503	0.2
61.02907	1.1
69.03423	2.6
73.02900	0.5
75.41593	0.2
79.05466	1.2
81.03391	1.7
85.02888	8.6
87.04412	0.3
91.05466	1.0
93.07009	2.3
94.04163	0.3
95.04944	1.2
97.02871	2.4
103.05439	0.5
109.02858	1.1
119.04923	0.9
120.00864	0.2
121.06480	3.3
122.03611	1.7
123.04408	0.4
123.08030	1.4
127.03902	1.2
131.04893	0.6
137.05952	100.0
138.06250	0.2
139.07523	2.6
140.04630	3.5
145.04926	0.5
149.05983	1.2
151.07491	1.3
153.05444	0.5
155.07074	0.4
163.07553	1.3
167.06993	12.0
181.08563	9.2
191.07021	0.4
194.56017	0.3
199.06001	1.9
199.07924	0.3
199.09636	3.6
213.65521	0.2
273.96661	0.4
310.78409	0.2
328.60681	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01856	0.5
57.03426	0.5
59.49366	0.2
60.04506	0.5
60.72024	0.3
61.02900	1.5
61.61688	0.2
69.03420	2.7
69.84253	0.2
71.04968	0.3
73.02904	0.6
79.05490	0.3
81.03396	1.6
85.02890	11.9
91.03925	0.4
91.05463	10.0
93.07024	12.1
95.04952	2.1
97.02870	3.9
99.04427	0.4
103.05454	5.7
105.04496	0.5
105.07005	0.5
107.04919	0.6
107.08562	0.4
109.02856	1.1
111.04357	0.4
119.04913	1.9
120.05733	2.0
121.06485	18.4
123.04409	0.6
125.05956	1.1
127.03886	1.8
131.04901	0.4
131.06010	0.4
133.02885	0.5
133.06512	0.4
135.08043	0.5
136.05174	0.4
137.05956	2.1
138.06728	1.8
139.07495	0.4
145.04955	0.6
147.04401	0.5
148.05167	2.4
149.05957	6.2
151.03897	1.7
151.07555	0.6
153.05440	1.6
166.06221	13.5
167.06947	0.5
179.07117	0.3
181.08566	100.0
182.08994	0.4
184.07297	1.2
199.09634	35.8
209.08101	1.1
223.09595	0.4
278.80142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
57.03410	0.1
60.04499	0.1
63.73134	0.1
67.05482	0.2
67.12467	0.1
69.03410	0.4
69.07015	0.1
70.84389	0.1
71.04984	0.1
72.08098	0.1
76.71973	0.1
78.04692	0.2
79.05466	0.5
81.03400	0.2
81.07021	0.4
85.02879	0.8
85.95689	0.1
89.96808	0.1
90.04651	0.1
91.05453	1.1
93.07024	1.2
95.04919	0.7
95.08575	0.2
97.02850	0.2
97.06483	0.2
99.04429	0.2
105.07018	0.1
106.02885	0.1
106.04160	0.2
107.04920	1.1
107.08568	0.2
108.05738	0.4
109.02855	0.1
109.06509	0.6
109.10101	0.2
111.08064	0.2
120.05736	0.1
121.06468	0.8
121.10110	0.5
123.04388	0.9
123.08073	0.4
124.03898	0.6
125.05982	0.2
135.04391	0.2
135.08011	0.6
136.05136	0.7
137.04991	0.2
137.05965	3.3
138.03119	0.1
138.06741	1.8
139.07532	0.5
139.11137	0.6
145.10054	0.1
148.05168	14.8
149.05943	0.4
151.03859	1.1
153.09090	0.9
154.06203	0.1
161.05977	0.1
163.11137	0.2
163.79999	0.1
165.05388	0.5
166.06209	0.8
181.08556	100.0
182.08853	0.4
184.07266	0.2
199.09601	0.9
199.13246	0.5
245.54488	0.1
260.98758	0.1
268.00534	0.1
298.17609	0.1
342.22400	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	378.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.7
55.01845	2.1
57.03413	0.8
59.04991	0.5
60.04500	1.0
61.02897	2.4
62.15480	0.4
67.05479	0.9
69.03410	3.4
77.83788	0.5
78.72493	0.4
79.05054	0.5
79.05469	9.5
81.03387	2.3
81.07018	2.3
85.02888	11.7
86.55161	0.5
87.43888	0.4
91.05463	4.9
92.09283	0.8
93.07019	16.3
95.04958	3.8
95.08585	0.7
97.02856	3.0
97.06529	0.6
107.04942	0.9
109.02853	0.9
109.06475	0.7
111.04430	0.6
111.08080	0.6
119.04899	0.9
121.06484	25.1
122.03629	1.9
123.04371	0.5
123.08044	8.8
127.03867	2.5
129.08868	0.5
131.04881	0.7
134.12843	0.4
137.05952	80.5
139.07516	18.2
145.04924	1.0
149.05928	7.4
151.07532	2.5
163.07541	1.0
166.06198	0.8
167.06998	100.0
175.07475	0.6
181.08554	13.8
185.08086	0.6
199.09608	29.6
249.43233	0.5
250.53088	0.4
289.49219	0.5
332.92584	0.5
349.86081	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	378.1393
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.7
55.01863	0.9
57.03430	1.0
61.02921	1.6
65.03932	0.7
67.05489	1.3
69.03414	4.7
73.02876	0.7
75.50555	0.6
81.03408	1.4
85.02894	15.6
92.08652	0.8
95.04948	23.6
97.02854	5.1
98.97647	0.7
105.04504	1.4
105.07026	4.6
109.02846	1.0
121.02817	1.2
123.04398	17.3
125.02325	4.7
127.03909	1.3
135.04474	0.9
139.03864	0.7
140.04668	100.0
145.04913	1.2
153.05565	0.8
155.07010	33.7
163.03876	1.2
163.07478	0.9
166.12610	0.7
167.03416	1.4
173.08099	4.7
180.08650	2.9
181.04921	11.2
181.08542	0.9
199.05995	46.8
229.44560	0.7
230.63373	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.2681
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81635	6.6
55.01845	7.7
55.05505	15.3
62.84559	7.1
64.33329	6.9
67.05485	54.8
69.03411	11.3
69.07045	6.8
71.04969	13.6
79.05463	48.3
81.07026	66.7
91.05447	70.0
93.07022	70.7
93.42520	6.3
95.04934	36.1
95.08578	66.4
99.04418	16.5
105.07008	100.0
107.08559	43.6
109.06504	29.0
109.10144	34.4
117.07015	29.6
119.08545	76.5
121.06540	8.6
121.10117	14.0
123.08057	16.0
125.09605	15.5
127.44283	6.7
128.06264	11.3
129.07034	7.9
131.08546	54.5
133.10109	39.4
142.07721	12.8
143.08507	37.3
145.10085	43.0
147.11649	33.5
151.11171	12.1
155.08551	15.6
157.10089	42.3
159.11632	16.0
169.10139	10.6
171.11690	8.5
197.13158	10.7
197.63042	7.4
216.58997	8.0
226.43060	7.1
267.21280	7.5
377.23041	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	377.1783
Annotation	Phe Pro Asn
Peak:m/z	Relative Intensity
55.05471	0.8
67.05483	3.1
68.56072	0.6
69.03406	1.4
69.80235	0.5
70.55672	0.5
71.04976	0.8
79.05451	1.3
81.03361	0.8
81.07019	2.5
82.33917	0.7
83.04980	1.5
85.02870	3.5
85.06499	1.4
87.04393	0.7
91.05474	1.3
93.07008	1.3
95.04910	1.2
95.08607	0.7
97.02861	1.3
97.06525	0.8
98.97510	1.0
99.08053	0.6
105.07018	1.0
107.08551	1.0
109.06541	0.8
109.10128	0.6
111.08027	0.8
113.05956	0.9
119.08557	1.0
120.39044	0.8
123.07880	0.6
133.10089	0.8
133.75667	0.6
138.05429	1.0
151.11165	0.8
161.09564	0.9
166.04979	1.3
179.10623	2.7
180.10867	1.1
197.11690	2.7
203.07475	2.6
215.12489	8.8
225.14680	0.6
241.49646	0.6
255.06638	0.8
261.10025	0.9
288.09915	1.2
302.11447	1.0
360.93921	0.7
362.50641	0.7
377.17719	100.0
378.18033	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1705
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57511	1.4
53.12369	1.4
55.05502	1.6
60.04501	1.5
62.45559	1.5
62.88009	1.5
67.05473	1.6
68.04996	1.5
69.07059	2.1
74.02428	17.0
75.04462	10.8
79.05492	2.0
79.91209	2.0
81.07039	2.3
91.05498	2.1
95.08585	2.8
167.07304	2.6
168.08064	3.0
169.08849	3.0
170.09637	1.8
179.07295	3.0
180.08084	7.8
181.08810	5.9
182.05983	8.1
182.09601	12.2
184.07570	2.5
184.11198	7.1
192.08173	2.7
194.09642	32.8
195.06705	2.4
196.07474	19.1
196.11189	3.2
197.08319	14.0
198.09145	11.1
200.07007	4.1
204.08159	2.5
207.06775	11.6
208.07579	16.9
209.08362	7.4
210.05508	9.5
210.09099	34.4
211.06183	2.9
211.09909	10.1
212.07031	3.9
212.10652	30.1
214.08606	9.5
216.11324	4.1
221.08533	6.6
221.10625	2.8
221.48204	1.8
222.09140	74.5
222.11346	3.4
223.10138	4.1
224.07065	27.6
224.10622	25.1
225.07785	49.2
226.08658	15.9
226.12314	11.7
227.05852	2.4
227.08035	2.8
228.06445	3.2
228.10226	10.8
232.07587	1.8
235.08563	3.8
236.07091	12.0
236.10765	3.8
237.10078	1.8
238.08606	37.2
239.09355	32.6
239.11734	7.1
240.10153	78.7
242.08087	22.5
242.11649	2.9
249.07826	2.6
249.10204	16.9
250.08591	19.8
250.10950	5.2
251.08234	2.6
251.11787	1.8
252.06425	2.2
252.08719	2.7
252.10376	2.7
253.07280	3.6
253.09651	8.4
253.10953	9.0
254.07991	3.7
254.11722	100.0
255.07370	6.0
256.09625	14.4
264.10165	6.7
265.13391	8.0
266.12048	4.9
267.08722	8.4
267.11316	12.2
268.09622	31.7
268.12018	5.8
269.09180	2.2
269.12756	2.8
270.10983	2.4
271.12067	3.0
272.12799	11.6
278.08182	3.5
281.12833	13.9
282.11160	45.3
283.07141	2.1
283.14386	1.9
295.10950	6.7
296.09146	3.6
298.09442	3.7
299.13748	15.9
300.12204	18.3
309.12369	2.0
310.10632	6.7
313.11719	7.6
327.13336	62.6
328.11694	27.4
345.14389	94.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	377.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83353	2.8
53.03930	4.2
54.73935	3.3
55.05497	18.8
56.96529	3.3
57.03415	5.7
57.07065	14.7
59.04972	5.3
61.02913	4.6
67.05485	22.8
69.03417	16.9
69.07053	28.9
70.06583	3.2
70.07394	5.4
71.04962	6.8
74.02417	14.5
75.04456	20.1
79.05472	18.6
81.03389	5.1
81.07044	57.4
83.04974	13.4
83.08581	6.5
85.02898	35.5
85.06518	29.4
87.03288	4.4
89.18495	4.5
91.05463	14.5
93.07024	32.5
95.04939	5.5
95.08586	48.5
96.08902	3.9
97.02892	6.9
97.06507	12.9
97.10190	3.4
97.57484	3.0
99.08095	6.0
105.07026	25.5
107.04954	4.2
107.08578	29.7
108.08931	3.5
109.02864	3.6
109.06474	4.7
109.10162	31.8
110.10477	4.7
111.46501	3.3
119.08546	17.8
121.10118	22.7
123.11700	12.9
125.09620	4.0
126.12610	3.4
131.08530	5.5
133.10118	16.2
135.11681	19.2
137.05974	7.4
137.13231	5.5
145.10136	4.7
147.11676	4.5
153.12660	3.7
161.13261	13.9
165.07001	5.0
167.07240	3.7
167.08531	4.7
172.07483	3.4
177.16373	4.3
178.16719	5.3
179.07202	4.4
180.08005	7.9
182.05800	4.9
182.09599	6.8
184.11226	5.4
194.09641	30.8
196.07564	14.3
197.08313	14.2
197.11656	6.6
197.18898	3.6
198.09105	8.2
200.07101	4.6
204.08072	4.7
207.06837	8.0
208.07550	7.2
210.05530	5.2
210.09125	32.0
211.06229	4.0
211.09967	7.1
212.06958	3.4
212.10667	24.5
221.08447	4.8
221.10677	4.9
222.09119	76.4
224.07045	34.3
224.10712	26.8
225.07834	50.1
226.08667	14.9
226.12256	17.9
227.05896	4.2
227.08081	5.2
228.06570	4.8
228.10237	4.9
235.08929	3.8
236.07048	14.5
237.06380	4.4
238.08621	38.0
239.09456	31.3
239.11626	5.8
240.10155	65.3
241.11043	4.4
242.08162	25.2
243.08826	3.8
249.10204	18.4
250.08522	14.8
252.06479	4.1
253.09511	11.2
253.10999	10.7
254.11710	100.0
255.07555	13.4
256.09641	8.1
266.11630	4.5
267.08875	4.4
267.11331	16.3
268.09616	22.0
272.12775	16.5
281.12820	18.7
282.11160	39.0
299.13773	26.8
300.12219	19.9
310.10587	5.8
323.25784	5.0
327.13284	78.4
328.11789	23.1
345.14398	75.1
390.63083	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	376.196
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.8
53.60772	0.5
53.94872	0.6
54.80980	0.6
55.01872	0.6
55.05501	1.1
56.43355	0.4
57.03428	9.8
61.02912	2.3
67.05491	2.0
68.04998	0.5
69.03410	5.3
69.07044	3.3
71.04965	1.2
72.92570	0.6
73.02486	0.5
73.02888	0.9
75.04476	0.6
79.05470	1.4
81.03387	4.2
81.07040	2.2
82.06570	1.4
84.08088	0.5
85.02418	0.9
85.02884	15.2
86.09674	0.7
87.04478	0.8
91.05434	0.7
93.07013	2.3
94.06538	2.2
95.04919	0.5
95.08599	2.0
96.08102	1.3
97.02869	3.7
97.06497	5.7
99.04389	1.0
105.06997	3.8
107.08573	2.9
108.08096	1.2
109.02880	2.1
109.06507	0.9
109.10143	1.2
110.09708	0.6
110.85664	0.6
119.08569	1.1
120.08061	0.9
122.09618	3.4
123.04366	0.8
123.06762	0.9
123.08047	3.2
123.11696	0.7
124.07558	42.9
125.05961	0.8
126.09116	3.7
127.03846	1.0
133.10097	2.6
135.08044	0.6
135.11694	0.9
136.11169	4.9
137.04709	0.6
137.05896	1.2
138.09116	39.1
140.10707	4.9
145.04994	0.7
150.09103	0.9
150.12741	22.7
151.11150	1.3
152.10683	3.3
161.09584	2.3
178.12242	16.7
179.10654	3.3
196.13289	10.4
197.08109	5.4
197.11717	3.2
214.14333	100.0
376.19604	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	376.1964
Annotation	Unknow
Peak:m/z	Relative Intensity
52.70352	0.3
55.01870	0.3
55.05487	0.4
56.96551	0.4
57.03410	0.5
58.06881	0.2
60.04502	1.1
61.02905	0.4
67.05476	0.5
69.03400	1.6
70.06565	0.5
79.05443	0.4
81.03397	0.4
81.07028	1.7
83.04953	0.5
85.02903	3.1
91.05461	1.8
92.09270	0.3
93.07039	2.0
95.04939	0.5
95.08575	1.1
97.02853	0.5
97.06519	0.4
105.07014	4.9
107.08563	0.5
109.02813	0.4
109.06466	0.7
109.10138	1.7
113.68753	0.3
113.84349	0.2
116.98597	0.4
119.05006	0.4
119.08553	1.7
121.06485	0.5
123.08047	0.6
123.11686	4.2
125.71568	0.3
126.01091	0.3
126.39506	0.3
128.06227	0.5
129.05499	0.3
131.08501	0.5
133.10106	4.2
135.08005	0.4
136.08806	0.5
137.05931	1.7
137.09601	4.6
143.08553	1.3
146.07260	3.2
147.04340	0.4
149.09651	0.3
151.07515	1.2
151.11148	4.6
154.00638	0.3
155.03679	1.3
161.09592	13.5
164.08325	1.1
165.01711	0.3
167.06969	0.4
179.10634	100.0
180.11031	1.1
197.11688	4.2
213.11134	0.3
214.11516	0.3
340.21143	0.4
358.22421	0.3
376.16663	0.4
377.08212	0.4
377.17792	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	376.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.2
55.01862	0.2
55.05499	0.0
57.03423	0.3
61.01101	0.0
61.02914	0.6
62.71198	0.0
65.03924	0.1
67.05491	0.0
68.99795	0.0
69.03409	0.9
70.06589	0.1
71.04949	0.1
73.02899	0.2
77.03899	0.1
78.04695	0.2
78.62395	0.1
81.03395	0.5
81.07030	0.3
84.48163	0.1
85.02885	3.0
85.06531	0.1
86.09682	0.1
87.04436	0.1
90.63442	0.1
91.03908	0.1
91.05456	1.8
93.07016	0.3
95.04930	0.5
95.08566	0.1
97.01516	0.0
97.02874	1.0
99.04430	0.2
99.52523	0.0
103.05444	0.1
105.04484	0.1
105.07018	0.1
106.04145	0.2
107.08577	0.2
109.02859	0.2
109.06524	0.1
109.10160	0.1
109.54970	0.1
119.04922	0.3
119.08532	0.1
121.06476	10.5
123.08035	0.5
125.06024	0.1
127.03868	0.3
133.10097	0.3
136.05168	0.3
137.05940	0.3
137.09512	0.0
139.07515	5.0
145.04936	0.4
149.07089	0.9
150.02576	0.1
151.07510	100.0
152.07913	0.3
162.07549	0.1
179.10641	0.3
180.08569	0.4
197.08046	8.6
214.04744	0.1
214.10707	0.1
296.06693	0.1
320.33728	0.1
333.48248	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	376.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03919	0.1
55.01851	0.2
57.03423	0.1
61.02897	0.5
63.51563	0.1
65.03900	0.1
66.82736	0.1
66.96773	0.1
69.03418	0.7
73.02879	0.1
78.04663	0.1
79.12789	0.1
80.67767	0.1
81.03419	0.2
85.02889	2.9
85.27843	0.1
91.03915	0.2
91.05464	1.7
93.07038	0.1
95.04950	0.4
97.02878	0.9
106.04144	0.2
109.02872	0.1
119.04906	0.2
119.90055	0.1
121.06480	10.0
121.10027	0.1
123.08039	0.4
127.03883	0.4
136.05200	0.2
137.05893	0.1
139.07521	4.4
140.39018	0.1
140.47816	0.1
145.04915	0.4
146.68823	0.1
149.02324	0.1
149.07103	0.7
151.07518	100.0
152.07858	0.6
180.08609	0.2
197.08054	8.8
198.08264	0.1
257.84302	0.1
265.58203	0.1
272.64285	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	375.2374
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03936	3.9
55.01857	11.9
55.05505	28.4
57.03421	17.3
57.07056	5.6
59.04995	3.5
61.02917	17.9
64.26454	2.2
67.05502	16.2
69.03419	53.9
69.07053	61.2
70.02256	2.2
71.04970	22.1
73.02894	2.8
78.70998	2.3
79.05468	9.1
81.03402	19.1
81.07044	40.3
83.01302	2.3
83.04967	12.7
83.08608	10.8
85.02892	100.0
85.06531	17.7
87.04439	3.2
91.05458	10.9
93.07016	24.8
95.04940	2.5
95.08579	49.7
97.02878	27.5
97.06521	4.4
97.10161	5.7
99.04417	9.3
99.08078	24.2
105.07023	8.9
107.04916	4.5
107.08565	37.6
109.02868	10.9
109.06516	3.1
109.10146	22.5
111.04407	2.1
111.08045	5.2
111.11716	3.8
113.09625	5.5
114.19309	2.6
118.13924	2.3
119.04910	2.5
119.08572	4.3
121.06515	15.9
121.10113	38.5
122.06786	10.5
123.11681	11.9
125.09609	12.6
127.03874	14.7
131.08589	2.7
131.22873	2.1
133.10074	3.6
135.11670	21.1
137.05902	8.2
137.13216	16.9
138.06299	2.7
139.11176	11.6
141.06911	4.3
143.81975	2.2
145.04907	9.1
149.09570	11.6
149.13280	3.5
150.09961	11.3
151.14792	2.5
153.12714	10.8
169.06459	4.5
177.09082	17.5
177.16382	54.7
178.09392	30.0
195.10100	24.1
195.13771	3.6
195.17427	34.9
196.10477	34.7
213.05373	19.1
213.18420	42.5
274.64572	2.4
296.64157	2.6
319.45105	2.9
375.23608	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	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
55.01856	2.2
55.05503	11.1
61.02908	1.3
67.05484	7.1
67.87528	1.0
69.03393	7.4
69.07054	22.5
70.92989	1.1
71.04974	1.7
71.08593	1.2
79.05468	8.9
81.07028	23.8
83.08593	10.1
83.19027	1.1
85.02869	9.0
85.06499	2.1
89.29050	1.1
90.77734	1.2
91.05443	2.3
93.07012	19.2
95.08571	37.4
96.64655	1.0
97.02831	1.9
97.06441	1.4
97.10126	7.4
99.08053	18.1
105.06990	5.3
107.08563	51.5
109.02838	1.6
109.10149	11.0
111.08040	12.2
113.09650	2.1
119.08517	1.9
121.10107	82.0
123.11643	2.0
123.77873	1.4
125.09610	7.2
128.53087	1.2
133.06367	1.2
133.10117	1.8
135.11632	17.6
137.13194	5.6
139.38780	1.3
149.13222	4.3
163.03806	5.0
164.04202	4.3
177.05405	1.8
177.16330	100.0
178.05774	4.7
188.06981	1.5
195.17384	16.8
213.18462	22.2
222.75089	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.2376
Annotation	Manglieside C
Peak:m/z	Relative Intensity
53.03953	0.4
54.34285	0.3
55.01862	2.3
55.05503	12.8
55.52325	0.3
57.03426	0.8
57.07055	2.9
59.04989	0.6
59.27964	0.4
61.02917	0.4
67.05497	4.2
69.03415	4.9
69.07052	22.1
71.04978	3.7
71.08622	0.4
79.05463	5.5
81.03400	0.4
81.07037	20.3
83.08601	12.3
85.02892	10.5
85.06522	3.7
91.05457	2.9
93.07019	19.4
95.04945	0.7
95.08581	42.4
97.02866	2.1
97.10140	8.8
99.08070	14.6
105.07008	5.0
107.08575	50.0
109.06544	0.6
109.10144	12.0
111.08061	9.3
111.11748	0.5
113.09658	1.9
119.08524	1.6
121.10120	80.1
122.10427	0.5
122.91200	0.4
123.08109	0.6
123.11681	1.6
125.09605	7.6
135.11659	16.8
137.12291	0.6
137.13246	8.5
139.11171	1.9
147.11649	0.5
149.13251	6.2
159.11873	0.5
164.04135	0.4
177.16348	100.0
178.05852	0.5
178.16634	0.4
195.17432	13.2
213.18451	17.0
261.67026	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1284
Annotation	Gentioflavoside
Peak:m/z	Relative Intensity
55.01873	1.0
56.96564	2.0
57.03425	1.0
57.11427	0.6
61.02913	13.0
65.03920	2.0
67.05488	1.2
69.03416	4.5
69.85253	0.8
71.04970	1.2
73.97952	0.7
75.28445	0.7
77.41932	0.9
79.05477	13.3
80.99369	0.7
81.03388	3.2
83.04960	0.8
85.02874	12.2
91.05453	5.5
93.03370	4.7
95.04944	4.1
97.02863	3.2
103.05428	0.9
103.15782	0.9
105.06998	8.1
107.04941	25.9
108.02109	1.2
110.03640	20.3
111.04430	14.6
117.03348	1.4
119.04893	1.3
121.06486	11.0
122.03634	4.8
122.09679	0.9
125.05961	61.6
127.03910	4.7
133.02826	12.8
134.13853	0.8
135.04391	28.4
137.05952	26.6
141.05440	3.4
147.04410	2.0
149.05960	25.0
150.03102	9.4
151.03883	100.0
153.05443	13.4
161.05977	6.7
163.03839	7.9
165.05440	34.7
165.06856	1.3
167.07016	16.7
172.05179	1.0
175.07518	1.4
177.05428	21.7
179.00165	1.9
195.06487	19.8
197.01189	12.3
203.06993	3.4
213.07541	68.9
215.02197	1.3
221.08034	1.6
257.47635	0.9
354.25446	1.0
375.11948	1.5
375.16345	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	374.3624
Annotation	Unknow
Peak:m/z	Relative Intensity
50.29202	0.4
50.58495	0.4
55.05486	0.7
56.04990	0.4
57.06813	0.9
57.07067	16.2
58.06581	2.8
58.18526	0.5
64.97343	0.4
69.07047	0.7
70.06200	1.0
70.06576	29.1
71.08609	5.9
77.57440	0.4
84.08167	0.6
85.10152	2.3
88.07611	34.9
98.38316	0.5
102.09151	22.8
132.10184	1.2
146.11742	0.6
150.11194	0.8
170.20636	0.6
268.30093	1.1
312.32541	60.7
313.32996	0.7
356.34946	3.8
374.36212	100.0
375.36594	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	375.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
51.83321	0.4
55.05496	0.5
56.96553	1.0
58.57238	0.4
60.77776	0.4
62.96669	0.4
65.03923	3.2
67.05474	2.4
79.05465	2.0
81.07028	2.7
83.04929	0.6
83.08559	0.7
87.20050	0.4
91.05460	2.3
93.07012	2.3
94.07449	0.5
94.26129	0.5
95.04932	4.0
95.08595	2.1
99.04453	0.5
105.07021	2.0
107.04939	36.7
107.08588	2.0
109.06523	0.7
109.10151	1.0
111.04430	3.2
119.08576	0.8
121.02845	100.0
121.03866	3.4
121.10155	0.9
123.04372	3.6
123.08052	0.6
131.04843	0.7
133.10112	0.9
135.04500	0.5
143.08537	0.8
145.10103	0.7
148.26680	0.5
149.09534	0.5
159.11650	0.5
175.03886	2.6
251.07034	0.6
253.08568	2.9
266.05734	1.1
267.06589	0.9
269.08087	0.7
281.08051	3.0
336.98425	0.5
373.84042	0.6
375.12195	8.9
375.25241	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.2017
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.8
57.03437	1.0
57.10941	0.6
61.02912	1.7
67.65192	0.6
69.03411	4.8
70.02929	1.3
81.03394	1.6
85.02888	17.3
87.04444	1.5
89.06007	97.9
89.96106	0.7
91.05447	1.2
95.01303	14.9
97.02886	5.7
107.07043	7.2
109.02831	1.4
112.03925	1.2
119.04914	1.2
127.03880	2.8
133.08571	28.3
145.05013	0.9
147.04369	7.5
151.09654	4.8
163.03902	1.0
164.03384	1.6
166.05048	0.8
177.05365	1.1
177.11130	3.5
182.04536	1.1
194.92592	0.7
195.12231	100.0
210.03955	3.7
213.76808	0.7
239.99754	0.7
329.91995	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1803
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.6
55.01874	0.5
57.03426	1.8
57.34541	0.4
60.61975	0.4
61.02898	2.7
68.04962	0.4
69.03412	5.1
69.07029	0.5
71.04954	0.6
71.56271	0.4
73.02894	1.0
78.27050	0.4
79.05457	0.6
81.03403	3.4
81.07012	0.8
85.02887	14.4
86.09705	3.5
87.04439	2.1
91.03966	0.4
91.05437	2.6
93.07045	0.7
96.08080	1.8
97.02880	4.5
98.97578	0.5
101.05987	0.6
105.07011	0.9
107.08613	0.5
108.06778	0.5
109.02858	0.7
109.06441	0.4
122.03646	2.3
123.07936	0.7
124.00357	0.4
124.07565	71.6
126.09139	3.6
127.03881	1.8
131.08499	2.0
133.10118	0.6
134.16664	0.4
137.05956	100.0
138.09113	11.1
145.04968	2.0
148.11134	0.7
151.09886	0.8
166.12257	2.7
176.10709	2.5
177.05371	0.7
177.09161	0.6
194.11705	4.3
195.08385	0.5
195.10066	4.1
210.60063	0.5
212.12785	28.7
241.21835	0.5
279.95779	0.4
300.17184	0.5
373.18103	0.7
373.25311	0.6
374.18585	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	374.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.8
54.81707	0.4
55.01867	0.5
55.64734	0.4
57.03422	0.7
59.04976	0.5
61.02914	1.0
69.03412	4.6
71.04964	0.6
72.08130	1.9
79.05478	2.1
81.03416	1.6
81.07037	1.6
85.02889	6.8
86.09682	2.8
87.04446	3.0
88.76733	0.4
89.03904	1.1
93.06998	0.6
94.06502	0.4
95.04917	0.4
95.08572	0.6
96.08083	3.3
97.02863	3.0
97.06548	0.7
99.04448	0.9
107.08578	0.6
109.02848	1.1
117.03374	5.1
120.08058	0.6
121.06486	0.9
122.09576	0.5
123.04423	5.2
123.08051	0.7
124.07565	100.0
125.49114	0.4
126.09115	4.6
127.03927	0.8
135.04404	1.1
136.07553	0.5
137.09592	0.7
138.09125	12.9
138.12820	0.5
140.10733	0.6
140.28392	0.5
144.75221	0.5
145.02820	17.3
147.04395	1.7
148.11191	0.7
149.05943	4.4
149.09572	0.7
151.09929	0.6
152.10681	0.6
163.03896	2.2
164.98265	0.5
165.05482	0.7
166.12198	3.4
175.03850	2.2
176.10658	3.2
177.05428	43.2
178.05875	0.8
194.11755	5.1
195.06479	7.8
196.20317	0.5
201.05400	0.7
204.14267	0.5
205.04955	5.4
212.12776	47.2
217.04932	0.6
222.07588	4.1
234.07610	0.4
246.90001	0.5
252.38148	0.5
328.08118	0.4
365.29831	0.5
374.18146	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1652
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	2.5
55.01855	0.5
57.03423	4.2
58.36243	0.3
58.78204	0.4
59.04992	0.5
60.04499	0.7
61.02900	1.6
69.03413	9.5
70.02957	0.4
71.01330	0.6
71.04967	10.3
73.02904	0.9
75.04455	2.7
81.03394	97.7
83.01320	0.6
84.08119	1.6
85.02885	23.7
85.06547	0.4
87.04441	1.6
88.81798	0.4
89.06001	1.7
91.03883	0.4
95.01308	7.8
95.04896	0.4
97.02868	3.9
99.04435	7.9
101.02331	0.5
109.02856	100.0
111.04390	0.6
112.03947	0.6
113.05991	4.2
115.03911	0.5
127.03887	15.8
130.08627	1.7
141.01791	0.6
141.05441	5.5
145.04904	2.2
152.07024	0.6
159.06485	5.3
163.05936	1.0
164.03458	0.8
164.06966	0.4
177.07484	4.7
182.04442	1.8
194.08133	1.8
195.08603	34.8
195.12268	2.1
210.03946	0.7
212.09123	1.7
262.36951	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1473
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58315	0.2
51.29492	0.2
51.86413	0.2
55.05517	0.3
60.27909	0.2
61.02903	0.3
63.54152	0.2
63.58331	0.2
69.03400	1.0
70.06577	0.4
70.92234	0.2
71.05012	0.3
72.08135	0.3
81.03394	1.8
84.04477	0.3
84.08131	2.0
85.02884	1.8
86.09705	0.3
90.03426	1.3
93.07014	0.3
95.01301	1.0
95.38333	0.3
96.04456	0.3
97.02863	0.3
97.78014	0.2
98.99981	0.6
109.02858	1.4
110.06023	0.4
111.04366	0.3
112.03907	0.3
114.01057	2.5
120.08028	0.2
121.06503	0.6
126.01039	100.0
126.09142	0.4
127.03901	0.2
128.02597	18.6
135.04356	1.0
139.03874	1.2
142.55219	0.3
143.04793	0.3
144.02127	0.4
144.10162	1.0
145.02814	0.3
145.26038	0.2
147.04396	1.6
157.05243	41.5
160.69516	0.3
163.03854	5.6
166.04944	0.5
172.09636	1.3
177.05363	0.4
177.30759	0.3
181.04965	0.4
186.07637	0.4
187.03839	0.4
195.08580	0.4
200.09120	0.6
203.03355	2.2
212.05618	0.5
212.09154	0.5
215.03395	1.3
226.99284	0.2
231.02689	0.3
261.03860	0.5
276.93073	0.3
291.74811	0.3
339.07077	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92188	0.3
53.03936	2.8
55.01864	5.0
57.03422	2.7
61.02914	3.5
63.01184	0.4
65.03913	1.9
67.05477	0.6
68.99783	0.8
69.03418	17.5
69.07053	1.8
70.06566	0.6
71.04970	2.6
73.02910	4.4
81.03402	12.5
81.07028	0.9
83.01336	0.7
84.04490	1.1
85.02892	42.4
86.09687	15.6
87.00815	22.0
87.04458	0.6
91.05463	100.0
97.02869	14.6
99.04430	5.9
103.03904	1.1
105.01847	17.2
105.07026	2.3
107.04987	0.5
107.08574	1.0
108.04479	0.7
109.02863	12.3
117.01833	2.3
117.07002	0.8
119.08571	0.7
121.10033	0.5
123.04440	1.9
124.07558	2.9
124.44601	0.4
126.05514	0.5
127.03891	24.2
128.06204	0.7
129.01805	1.2
129.07054	0.9
131.04910	0.5
131.08603	0.5
133.06487	0.9
135.04399	2.5
145.04959	8.9
145.06424	1.1
145.11818	0.6
147.02892	0.8
147.07999	0.6
149.05965	6.2
159.02895	6.2
163.03922	0.6
171.02969	0.5
171.08006	0.9
175.07576	1.1
176.10582	0.7
177.05481	4.9
177.09181	1.0
189.03973	1.7
195.06555	1.0
195.10165	0.8
197.12891	0.7
199.07552	0.6
205.04950	1.8
212.12790	2.0
213.04088	0.8
215.13953	1.7
217.08577	1.0
218.59294	0.5
222.07607	0.7
230.06535	0.8
231.04953	5.2
242.14928	0.6
243.13383	2.8
249.06137	2.0
268.68341	0.5
313.85410	0.6
321.09702	1.9
373.17844	0.6
374.18674	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	374.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08656	0.2
53.23944	0.3
55.05512	0.4
57.03429	0.3
61.02919	1.2
64.32556	0.3
69.03421	2.6
69.07072	0.3
71.02147	0.3
71.04958	0.3
72.08134	2.1
72.54903	0.3
73.02910	0.4
76.55177	0.3
79.05447	0.3
81.03410	0.7
85.02885	6.5
86.09688	3.2
87.04468	1.2
89.03896	5.7
91.05482	0.7
95.08584	0.3
96.08135	0.7
97.02877	2.0
99.04445	0.4
107.04930	0.4
109.02884	0.4
117.03357	21.5
121.06505	0.6
123.04411	2.3
123.08057	0.3
124.07568	25.7
126.09132	0.7
127.03896	1.1
131.08611	0.5
134.03604	2.0
135.04367	3.7
137.72934	0.3
138.09087	3.2
145.02829	61.7
147.04454	0.5
149.05956	11.5
156.26505	0.4
162.03056	1.3
163.03857	6.0
166.12218	1.3
176.10680	0.5
177.05435	100.0
180.08636	0.3
186.05495	0.4
194.11678	1.2
195.06491	28.5
205.04938	1.2
212.12781	14.0
217.04851	0.4
222.07564	0.6
235.36098	0.4
365.40414	0.3
373.18350	4.3
374.18640	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	373.2217
Annotation	Byzantionoside B
Peak:m/z	Relative Intensity
55.05493	12.0
57.07060	2.0
62.62885	1.9
66.86066	2.1
67.05486	16.9
69.03394	8.0
69.07051	10.7
73.53100	2.0
81.07043	15.2
82.18423	2.2
83.04951	12.2
83.08585	3.5
85.02875	4.3
85.06526	4.0
91.05470	2.4
93.07010	9.2
95.08584	32.6
105.07004	3.6
107.08585	22.4
109.06513	10.2
109.09389	3.5
109.10139	100.0
111.08099	2.9
114.85111	2.2
119.08553	21.0
121.10130	10.2
123.08048	10.1
123.11694	9.6
124.78189	2.6
127.11039	2.3
133.10109	17.9
135.11662	65.5
137.09529	15.9
149.13275	3.6
151.11185	9.4
151.14812	14.7
175.14769	27.9
193.15860	27.2
211.16882	54.6
226.28506	2.4
306.75909	2.7
367.84537	2.3
373.18253	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	374.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.4
55.01867	0.6
57.03417	2.1
57.98155	0.4
61.02890	2.4
64.32443	0.5
69.03413	4.7
71.04964	0.6
73.02871	0.6
78.50286	0.4
81.03391	2.8
85.02888	21.3
87.04405	0.5
89.03883	5.9
92.09267	0.6
97.02859	6.3
99.04412	0.9
102.15129	0.4
109.02850	1.7
117.03355	21.4
127.03916	1.1
134.03610	2.0
135.04355	2.0
140.00645	0.4
145.02829	65.5
145.04910	2.8
149.05959	12.1
153.05452	1.0
162.03123	2.0
163.02707	0.6
163.03851	4.4
177.05432	100.0
178.05908	0.6
180.08591	1.0
195.06488	32.8
201.36133	0.4
212.55649	0.5
333.94055	0.5
335.82889	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1829
Annotation	17beta-(Acetylthio)estra-1,3,5(10)-trien-3-ol acetate
Peak:m/z	Relative Intensity
54.02216	0.3
62.24928	0.2
68.59631	0.2
71.04965	0.4
72.08121	0.7
85.02896	1.2
91.05436	0.3
111.08083	0.3
120.08060	0.3
127.03797	0.3
145.08623	0.3
147.04460	0.6
162.05470	1.2
177.05403	0.6
211.13008	1.1
217.92952	0.3
230.66919	0.3
298.34061	0.3
312.84552	0.3
373.18228	100.0
374.18359	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1488
Annotation	1-[(pentanoyl)-phloroglucinyl]-beta-D-glucopyranoside
Peak:m/z	Relative Intensity
53.03933	0.5
55.01852	2.0
55.05483	1.4
57.03424	2.8
57.07063	6.3
59.04977	1.5
61.02905	4.8
67.01836	0.4
67.05479	1.4
68.99768	1.3
69.03410	6.2
69.07050	0.6
71.04964	0.7
72.08141	0.3
73.02886	1.7
79.05476	0.5
81.03410	4.2
81.07010	1.9
83.01302	0.4
83.04952	0.6
85.02882	22.5
85.06525	3.4
87.04430	0.6
91.03907	0.5
91.05431	0.4
93.07021	0.8
95.04934	1.5
95.08599	0.5
95.44935	0.3
97.02866	6.7
97.06507	0.4
99.04420	0.6
99.08053	0.6
99.91206	0.3
101.02298	0.3
103.03899	0.5
105.07025	1.1
107.08578	1.1
109.02859	2.4
109.06488	1.8
109.10162	0.5
119.08549	0.7
121.06433	0.4
123.04398	16.8
123.08050	0.4
126.68656	0.3
127.03887	8.4
127.07542	0.6
131.08583	0.4
133.10086	0.4
137.05937	1.5
139.03870	15.9
145.04916	2.0
147.04387	4.4
147.08008	0.6
151.03865	31.3
151.07503	0.5
153.01828	2.9
153.05414	1.9
155.03355	74.2
159.08002	0.4
161.05922	1.5
161.09547	0.5
163.03859	1.6
163.07463	0.5
165.05443	2.8
165.09048	2.4
169.04913	5.7
171.08072	0.4
175.03836	1.8
175.07494	1.6
177.05376	0.5
179.03383	1.2
187.07547	0.4
189.05482	0.5
189.09094	1.2
193.04900	1.3
193.08568	9.3
199.07274	0.4
201.05415	0.4
203.10609	0.5
205.04942	0.5
205.08514	3.0
207.10112	0.3
211.09605	100.0
212.09915	0.7
217.04823	0.4
217.08607	1.6
223.09578	4.3
229.05000	0.4
229.08542	1.2
231.10106	0.5
235.05980	0.4
235.09578	5.6
247.09535	0.6
249.11214	1.3
253.10593	4.0
259.09467	0.5
271.09662	2.5
277.10629	4.9
283.09402	0.4
289.10611	3.5
301.10596	1.8
307.11673	0.4
319.11658	1.2
323.41614	0.4
337.12741	0.7
355.13864	0.5
373.30423	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1489
Annotation	CHEMBL484029
Peak:m/z	Relative Intensity
55.05490	1.8
55.14137	0.4
57.03406	0.7
57.07076	3.7
59.04963	0.7
61.02905	0.6
67.01847	0.4
67.05482	2.6
68.99768	0.7
69.03426	1.4
81.03387	0.4
81.07021	1.6
83.04932	0.8
85.02871	4.0
85.06525	3.1
90.91293	0.4
92.08650	0.5
92.64031	0.4
93.07012	1.0
95.04948	1.7
95.08591	1.0
97.02860	0.7
97.63996	0.4
105.07022	0.6
107.08597	1.0
109.02846	0.7
109.06474	1.7
109.10126	2.1
119.08504	0.7
121.10117	0.4
123.04405	19.4
123.08003	0.6
125.05984	0.5
125.09625	0.7
127.03883	6.9
127.07557	1.5
129.07018	0.5
133.10117	0.5
137.05923	0.9
139.03889	18.0
147.08017	0.6
149.02333	2.6
151.03880	34.5
153.01822	2.9
153.05418	2.7
155.03363	80.1
162.50813	0.4
165.05412	2.7
165.09036	3.4
169.04930	6.7
175.07501	1.8
187.52554	0.5
193.08551	11.1
211.09618	100.0
235.66629	0.4
263.51541	0.5
313.07727	0.5
349.79208	0.4
373.18231	10.3
394.46271	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.2224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00298	1.4
53.03918	2.3
55.05501	15.5
57.03429	71.2
57.07072	2.5
59.04995	5.7
61.02905	2.7
65.03918	1.1
66.04287	1.0
67.05497	14.7
69.03413	10.4
69.07050	35.8
70.06552	1.2
71.04977	18.8
71.08612	79.2
75.04455	20.8
79.05463	2.6
79.22598	1.0
81.03391	1.9
81.07035	32.6
83.04971	1.4
83.08610	5.5
84.08124	1.8
85.02886	21.3
85.06525	2.5
86.09713	1.3
89.03928	1.8
89.06007	40.9
91.05447	11.7
92.05790	6.4
92.08614	1.2
92.63555	1.4
93.07004	8.0
95.04943	1.5
95.08584	97.3
97.02863	5.4
97.06517	2.3
98.97586	2.4
99.04426	2.2
99.08070	100.0
105.06996	1.4
107.08577	1.3
109.02864	1.5
111.11645	1.5
113.09602	10.5
117.09123	4.8
119.04902	19.1
120.05241	15.4
121.10124	7.3
127.03846	1.9
129.06989	1.7
131.10652	83.7
135.04425	7.4
139.03844	1.5
139.11119	11.8
141.94113	1.4
145.02798	2.3
145.05005	1.4
147.04390	35.9
147.08119	1.4
148.04726	41.5
149.04863	1.2
157.12221	28.5
163.03860	21.0
175.03871	7.5
175.13257	33.0
193.04977	1.9
193.14296	16.5
194.02362	1.1
210.04744	1.7
210.11201	1.3
211.09479	1.6
372.16989	2.4
373.14581	5.8
373.93521	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	373.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
52.99992	0.5
55.01863	0.5
55.05502	0.5
57.03418	3.5
59.04982	15.9
60.05323	1.0
67.05478	0.6
69.03409	100.0
70.06555	0.8
71.04967	1.0
71.08587	0.6
79.05473	0.6
81.03378	2.3
81.07008	0.7
84.08105	1.1
85.02879	4.2
86.09672	1.3
87.04433	0.8
89.03918	0.6
91.05428	4.2
93.07009	0.9
95.04951	8.7
95.08577	1.0
97.02859	3.3
99.04372	0.8
101.18214	0.5
103.05431	3.0
105.06997	3.4
107.04922	3.1
109.02867	2.0
109.06528	0.6
115.03899	60.3
115.05381	6.9
116.04952	0.9
117.06985	7.3
117.09071	2.1
118.04123	0.6
119.04877	0.8
119.08546	2.2
123.04400	12.1
125.02305	0.7
127.03891	9.9
128.06238	0.7
129.06976	2.5
131.04869	4.7
131.08513	2.1
133.06485	0.7
134.05991	1.1
135.04401	2.2
135.08003	0.7
140.04657	15.6
143.04875	0.7
144.05656	2.5
145.02826	1.3
145.06450	13.2
147.04315	4.4
147.07991	2.7
149.04939	0.9
153.01793	5.8
153.05443	2.3
155.05986	1.6
155.06998	25.4
157.06451	3.2
159.04404	2.1
159.07996	2.7
160.05193	1.3
160.07536	0.9
161.05940	5.5
162.05533	3.9
163.03850	5.9
164.04219	2.3
167.06995	5.1
172.24194	0.6
173.05893	9.2
173.08081	0.7
175.07487	3.6
176.04604	2.5
177.05435	2.5
179.07033	2.1
182.48499	0.6
183.06398	0.7
185.06088	0.6
187.07524	3.2
189.05455	1.1
191.06967	10.6
193.08568	0.6
193.14299	4.7
194.14594	2.3
194.55232	0.6
201.05463	2.3
203.06978	3.5
204.06383	4.0
205.08517	2.2
206.05684	3.1
211.15074	4.9
219.06450	2.6
219.54605	0.6
221.07950	0.7
229.10651	4.6
233.08037	1.0
235.05962	2.0
237.07372	0.7
249.07526	2.6
251.09006	4.1
254.07857	1.2
263.09073	3.6
266.07788	0.7
269.10202	6.2
281.10123	3.0
300.08435	0.5
327.09607	0.6
343.13831	2.1
356.07581	2.2
373.14081	1.4
373.18002	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	372.1861
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.05499	2.3
57.03425	12.4
59.04974	0.5
59.58941	0.4
61.02908	1.7
61.42392	0.4
64.33972	0.5
69.03405	2.4
71.01338	0.6
71.04976	81.1
72.52248	0.5
73.02907	4.0
75.04456	4.2
79.62299	0.5
81.03393	1.0
83.04961	7.9
85.02889	100.0
86.03281	0.5
87.04453	2.8
91.03957	0.4
93.43187	0.4
95.01300	0.9
97.02877	5.5
99.04427	2.3
101.05968	0.5
101.55122	0.5
103.03893	0.7
109.02863	0.6
111.04426	4.8
120.08096	1.8
127.03867	3.6
129.05450	26.8
129.06409	1.0
135.04408	0.6
135.30275	0.4
136.06126	0.5
145.04994	3.7
147.06500	13.1
163.06032	2.3
164.09157	3.1
164.10498	0.4
209.10207	0.5
255.08508	0.6
273.09726	1.1
278.96170	0.5
309.11801	1.8
325.78784	0.5
352.17914	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01856	3.0
55.05492	3.1
55.05720	0.4
57.03432	3.5
57.07058	1.1
59.04980	0.8
61.02912	5.8
67.05485	2.7
69.03415	21.7
69.07049	4.8
69.71183	0.4
71.04969	3.3
73.02882	2.1
77.26441	0.4
79.05454	3.9
81.03392	11.0
81.07042	6.2
81.10408	0.4
83.04955	4.8
83.08582	0.9
84.18133	0.4
85.02888	44.6
87.04459	1.7
91.03925	1.1
91.05448	4.1
93.07014	6.3
95.04932	5.6
95.08593	5.6
97.02873	13.4
97.06508	1.0
99.04421	3.0
105.06993	8.1
107.04935	1.0
107.08572	31.3
109.02842	4.9
109.06497	9.3
109.10142	4.1
115.03874	0.5
117.07011	1.0
119.04907	1.9
119.08549	6.4
121.06478	3.1
121.10111	15.6
122.07231	2.0
123.08059	7.3
123.11674	4.6
127.03880	6.5
131.08524	4.2
133.10124	8.3
135.08022	8.2
135.11647	1.0
137.09590	15.9
137.13217	0.8
145.04922	5.2
145.10110	2.0
145.78996	0.5
147.04402	4.4
147.08038	0.5
147.11674	11.7
149.09590	16.4
149.13235	8.9
151.11154	22.6
158.10851	2.0
161.09572	0.7
163.14847	0.9
165.12714	60.7
173.13222	6.9
176.11946	0.6
191.14270	32.4
193.15854	0.6
209.15329	100.0
219.06453	0.5
226.09445	0.5
290.10971	0.5
308.12131	0.5
353.22821	3.1
371.16479	0.6
371.24002	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	371.2059
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.03905	0.6
55.01855	1.1
55.05492	3.5
57.07089	0.8
67.05475	1.8
69.03410	5.1
69.07041	2.8
71.92166	0.6
78.95600	0.7
79.05466	1.8
81.07037	8.7
83.08575	0.9
85.02879	5.4
91.05457	3.6
93.07002	5.7
95.08578	1.2
97.06493	0.9
102.84929	0.7
105.07025	7.1
107.04929	1.2
107.08568	22.8
109.06482	6.8
109.10134	5.3
115.05432	1.7
117.06998	4.4
119.08521	5.3
121.06474	3.5
121.10110	13.0
122.07257	4.9
123.08047	0.9
131.08539	4.6
133.10094	100.0
135.08002	13.8
135.11699	0.9
137.09581	68.7
137.68498	0.7
145.10085	1.8
147.04449	0.7
147.11673	14.8
149.09587	3.1
149.13213	16.1
163.14818	1.0
173.13223	10.9
191.14262	56.5
209.15326	28.3
241.94093	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.7
55.01851	0.8
55.05502	3.6
56.96553	0.5
57.03408	1.9
57.07056	1.6
59.04977	0.8
59.85529	0.3
61.02910	0.9
62.39857	0.4
65.03912	1.8
65.35789	0.3
67.05491	4.9
69.03412	5.1
69.07053	3.7
70.06582	0.6
71.04959	1.7
73.02926	0.3
79.05473	3.5
81.03398	2.1
81.07032	8.0
83.04954	3.7
83.08603	4.4
85.02892	7.4
85.06523	1.9
87.04491	0.4
91.05456	20.5
93.07024	6.8
95.04971	3.4
95.08582	3.8
97.02892	2.7
97.06506	2.7
99.04400	0.7
100.57463	0.4
105.07010	6.2
107.07864	0.5
107.08577	10.5
109.02843	2.3
109.06492	14.9
109.10136	11.3
111.08058	1.4
117.07009	0.5
119.04919	43.3
119.08569	3.9
121.06483	0.5
121.10118	7.4
123.08038	2.0
123.11685	2.7
125.09578	0.7
125.13255	0.4
127.03954	3.7
131.08528	6.1
133.10107	21.3
135.08028	5.5
135.11684	5.7
139.11134	0.6
143.08607	0.4
145.04942	0.7
145.10117	2.7
146.05981	0.5
147.04387	100.0
147.11612	0.7
148.04756	1.3
149.09651	0.6
149.13226	4.4
153.09090	0.8
158.10913	2.0
163.03854	0.4
163.14755	0.9
167.14301	2.7
171.10161	0.5
173.11740	0.7
173.13214	9.2
174.05396	0.5
175.14763	0.4
191.14278	10.8
191.15912	0.6
194.02040	0.7
209.04486	2.0
209.15323	4.4
353.19595	0.4
371.12854	1.9
371.16669	9.6
371.21097	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13157	0.4
53.03954	0.5
55.01869	0.5
55.05505	0.6
57.03433	0.6
57.28036	0.3
57.28376	0.4
61.02911	0.7
62.55590	0.4
65.03924	1.0
67.05479	2.0
67.28513	0.4
69.03419	5.3
69.07027	0.8
71.04980	4.9
79.05466	0.8
81.03397	2.6
81.07027	1.9
83.04964	0.5
83.08613	0.5
85.02892	10.2
85.06548	0.6
91.05453	10.4
93.07050	3.6
95.04943	100.0
95.08574	1.8
97.02869	2.8
97.06483	0.7
99.04427	13.2
105.07013	1.0
107.08578	3.3
109.02863	1.0
109.06506	0.6
109.10136	0.8
111.08080	0.6
119.04914	25.2
121.10101	5.9
131.28993	0.4
133.10117	3.9
135.11658	0.6
137.09596	0.7
139.11134	4.0
145.04955	0.8
147.04385	52.4
147.11629	0.4
148.04823	0.5
151.11209	0.6
153.09073	16.1
163.14842	0.9
173.13251	2.4
191.14267	0.8
194.02063	3.2
209.04416	7.2
209.15318	16.9
251.24260	0.5
371.16852	2.9
379.67743	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.72318	0.5
53.03937	1.1
53.72409	0.6
55.01857	5.4
55.05497	3.6
57.03425	1.5
57.07061	0.9
57.76202	0.5
59.04986	6.0
67.05489	2.7
68.71047	0.7
69.03405	2.7
69.07048	29.4
69.07404	1.3
71.04969	7.3
79.05464	4.2
79.99669	0.5
80.58765	0.6
81.03390	1.0
81.07037	3.6
83.04958	4.0
83.08596	1.1
85.02884	5.0
85.06519	0.8
91.05458	9.1
93.07012	26.3
95.04931	3.1
95.08582	10.2
97.02878	1.1
97.06509	9.2
98.06814	1.5
103.05436	0.6
105.07003	8.9
107.04995	0.7
107.08564	21.7
109.02838	0.9
109.06496	3.4
109.10149	3.7
111.08054	1.1
115.05438	1.0
115.07598	0.7
117.06999	1.5
119.07819	0.5
119.08546	5.9
121.06470	26.1
121.10107	20.4
123.08045	5.2
127.03794	0.9
127.11163	1.1
131.08505	8.3
133.10078	15.0
133.11020	0.8
135.08022	16.2
135.11644	5.5
137.09596	1.3
138.10393	0.6
139.11169	3.7
143.08618	0.7
145.10092	4.1
147.04370	4.9
147.08015	0.7
147.11652	57.8
148.05186	5.7
149.09602	7.9
149.13202	13.4
151.11125	2.3
158.10876	2.6
161.09560	9.6
163.11118	1.0
163.14729	2.2
167.07063	0.7
173.13188	14.3
176.04663	4.6
176.11919	4.3
191.07005	15.5
191.14259	100.0
201.09047	1.3
202.09369	4.8
209.08037	1.1
209.15320	32.7
213.40349	0.6
256.10434	2.7
272.09988	1.3
283.45285	0.7
290.10883	3.6
300.09537	0.7
314.81357	0.6
318.10553	1.5
336.11426	2.9
357.90015	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
53.00279	0.4
53.03934	1.6
55.01860	3.7
55.05312	0.3
55.05501	4.7
57.03418	1.0
57.07061	0.5
59.78551	0.3
60.85954	0.4
61.02892	2.3
66.10497	0.4
67.05471	1.8
67.46777	0.3
69.03408	5.6
69.07050	17.7
71.04961	2.3
72.58444	0.4
79.05474	3.3
81.03386	2.4
81.07023	2.5
83.04962	1.6
83.08598	1.5
85.02884	9.4
85.06508	0.4
87.04437	0.6
89.21539	0.4
91.05457	5.5
93.07014	15.0
95.04925	2.2
95.08584	3.9
97.02869	3.2
97.06500	2.8
99.04436	0.7
100.11244	3.9
103.05475	0.5
105.06991	6.6
107.08565	13.8
109.02835	0.7
109.06485	2.7
109.10126	1.6
111.04386	0.4
114.52006	0.5
117.06983	0.9
119.08544	5.5
121.06477	10.6
121.10107	12.4
123.08035	3.0
126.12762	0.7
127.03905	1.7
131.08522	5.2
133.10095	8.1
135.08015	8.2
135.11642	3.4
137.09561	2.1
143.08496	0.5
144.13779	2.0
145.04933	0.5
145.10085	2.7
147.04364	3.8
147.08012	0.9
147.11656	25.3
149.09587	100.0
149.13208	8.2
150.09943	0.6
151.11101	0.7
158.10831	0.7
160.64775	0.5
161.09589	4.3
161.16536	0.5
163.11113	0.5
163.14789	0.9
164.10632	0.6
166.83675	0.4
173.13200	8.3
175.07504	1.6
176.07864	1.8
176.11923	1.0
182.15388	0.7
191.14264	43.5
193.02814	0.4
194.75572	0.5
202.09375	1.9
209.15306	10.9
210.09857	0.6
210.14754	1.0
212.07887	0.7
226.09406	2.6
230.08878	1.0
246.08350	0.6
254.08926	1.6
255.09721	0.5
272.09995	0.8
282.08527	0.4
290.10989	0.5
298.73807	0.6
336.11618	0.5
371.16498	0.8
387.33368	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2059
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.3
55.01845	0.2
55.05498	2.4
57.03431	0.4
57.07063	0.5
65.03900	0.3
67.05489	2.4
69.03413	5.5
69.07050	2.3
71.04972	0.4
71.36121	0.2
73.57586	0.2
73.64639	0.2
77.03893	0.3
79.05463	4.3
81.07035	8.4
83.04957	0.4
83.08604	0.3
84.52274	0.2
85.02878	2.2
91.05454	4.9
92.08674	0.4
93.07016	2.4
95.04904	0.4
95.08575	1.6
97.02837	0.3
97.06483	0.4
98.06837	0.4
99.04496	0.2
105.07016	6.6
107.04929	1.9
107.08572	19.6
109.06503	6.9
109.10136	8.1
115.05441	2.3
117.06986	2.9
118.07725	0.3
119.06013	0.2
119.08552	3.9
121.06504	1.6
121.10120	12.9
122.07256	6.7
123.08035	1.0
131.08531	2.1
133.10101	100.0
134.10489	0.4
135.08026	14.3
135.11671	1.1
137.09590	81.5
138.09914	0.4
143.08514	0.2
145.10086	1.1
147.04396	0.3
147.11656	2.0
149.09654	0.4
149.13231	10.3
151.11121	0.5
158.10922	1.7
158.99628	0.2
163.14771	2.1
173.13210	6.0
191.14267	24.6
209.15363	3.8
289.07581	0.3
290.10962	0.3
336.11481	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2062
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23494	1.4
51.63368	1.7
53.03931	2.7
55.01863	2.4
55.05507	25.9
57.03426	7.9
57.07060	1.8
61.02905	3.9
67.05484	23.7
69.03431	15.4
69.07068	16.0
69.16326	1.8
69.74318	1.5
70.06556	2.8
71.04971	4.5
79.05475	21.2
80.69010	2.0
81.03384	3.0
81.07040	43.7
83.04971	20.5
83.08620	3.3
85.02889	33.5
85.06525	2.2
91.05449	33.0
93.07024	58.3
95.04953	11.1
95.08586	67.2
97.02873	8.6
97.06487	4.1
99.04435	4.1
99.08078	4.6
105.06992	18.2
107.04916	8.7
107.08579	68.8
109.06496	21.2
109.10148	41.1
111.04432	3.4
111.08073	8.4
117.06992	4.6
119.04915	44.5
119.08543	17.3
120.05273	3.6
121.06477	9.3
121.10122	31.3
123.08051	81.0
123.08907	3.8
123.11681	3.4
127.03880	2.3
127.07549	13.5
131.08565	10.5
133.10092	21.3
135.08040	15.8
135.11626	2.3
137.09589	13.6
139.11171	7.7
141.09103	22.4
143.08565	2.3
145.10139	3.3
147.04395	84.8
147.11699	10.3
148.04723	22.0
149.09630	2.5
149.13228	19.2
151.11148	10.1
153.09123	13.5
154.09879	18.3
155.10632	8.8
161.13260	9.2
163.14818	4.8
167.06984	2.3
173.13220	14.5
182.15408	2.3
191.07108	2.2
191.14288	21.6
209.04401	43.2
209.07864	3.0
209.15337	71.7
221.36896	1.9
223.11641	1.9
241.67950	2.4
321.29559	1.9
371.12125	3.7
371.16714	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	1.3
67.05483	2.4
67.48994	0.5
69.03413	5.1
69.07063	1.3
79.05480	3.6
81.03396	0.6
81.07040	6.3
83.08614	0.6
85.02886	2.9
91.05466	5.2
93.07058	2.1
94.44217	0.6
95.08579	1.0
105.07037	6.1
107.08575	17.1
109.06497	6.7
109.10139	7.3
115.05447	2.2
117.07005	3.0
119.08562	3.5
121.06486	0.9
121.10124	13.5
122.07269	5.3
123.08055	0.8
131.08525	1.2
133.10104	100.0
135.08029	13.9
135.11662	0.9
137.09596	65.3
147.11670	1.0
149.13232	11.1
158.10915	1.4
163.14771	2.2
167.10457	0.6
173.13225	3.8
191.14279	19.6
191.15898	1.0
209.15312	4.7
289.94534	0.6
378.25568	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2057
Annotation	Dearabinosyl pneumonanthoside
Peak:m/z	Relative Intensity
52.63406	0.5
53.03926	0.7
54.09856	0.4
55.01861	1.2
55.05496	2.5
57.03421	3.3
57.07057	2.1
59.04979	2.2
61.02899	2.9
62.87563	0.5
65.03911	1.1
67.05476	5.2
69.03407	12.7
69.07050	4.8
70.59834	0.4
71.04971	10.8
73.02900	1.1
76.08835	0.5
79.05467	3.2
81.03381	3.9
81.07030	7.6
83.04962	6.8
83.08598	0.7
85.02882	19.2
85.03362	0.9
85.06532	2.9
86.07295	0.9
87.04462	2.2
91.05449	12.3
92.02077	0.6
93.07012	6.0
95.04939	100.0
95.08573	7.9
96.05262	0.7
97.02872	7.0
97.06520	2.1
99.04427	17.3
99.08069	0.8
101.06009	0.7
105.07012	7.4
107.04961	0.7
107.08570	11.5
109.02879	2.0
109.06496	7.4
109.10138	4.7
111.08060	4.0
114.15976	0.5
117.06982	0.9
119.04916	19.3
119.08569	5.4
121.06491	0.6
121.10103	9.0
122.06020	2.2
123.04400	0.6
123.08052	2.2
123.11709	0.7
125.09590	13.4
127.03884	3.9
129.09105	1.2
131.07602	1.0
131.08517	10.3
133.10104	21.0
135.08009	10.8
135.08919	0.5
135.11693	3.4
137.09578	1.1
137.13254	0.7
138.13585	1.1
143.08557	1.0
143.09628	0.5
145.04921	1.0
145.10066	6.6
147.04376	39.1
147.11653	3.1
148.04768	2.3
149.09612	7.5
149.13248	2.7
150.10333	1.2
151.11142	1.0
153.09064	22.1
155.14381	1.1
156.14635	2.2
158.10837	4.2
161.09569	0.8
163.03902	1.0
163.11166	3.4
163.14746	1.0
164.10707	1.0
167.10632	1.2
170.04379	0.5
173.13202	14.3
173.15364	2.1
174.07516	0.9
174.15645	1.2
176.11954	1.2
177.05412	1.0
191.03340	12.9
191.07054	0.8
191.10486	0.8
191.14253	37.1
209.07869	3.3
209.15309	38.6
210.11250	2.6
210.15790	0.5
263.07547	0.7
353.19577	0.6
371.16602	15.4
371.20728	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	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.4
55.01865	4.0
55.05495	2.3
57.03414	2.5
57.07039	0.5
59.04979	0.4
61.02893	2.3
67.05475	2.0
69.03416	7.8
69.07053	19.8
69.98012	0.3
71.04971	2.0
73.02894	0.4
75.66203	0.3
79.05485	3.1
81.03405	3.0
81.07037	4.4
83.04986	3.3
83.08624	0.5
85.02894	12.6
85.03415	0.5
85.06506	0.5
87.04446	0.7
91.05447	6.2
93.07023	20.6
94.16407	0.4
95.04931	2.0
95.08580	4.7
95.59117	0.3
97.02866	4.8
97.06499	4.9
98.06817	1.7
99.04408	0.8
105.07008	5.7
107.08578	20.3
109.02840	0.9
109.06454	1.4
109.10146	2.8
111.08061	0.7
114.37901	0.4
117.06995	1.9
119.04924	0.8
119.08543	6.6
121.06479	18.6
121.10123	13.4
123.04321	0.4
123.08045	3.8
127.03904	1.8
131.08545	9.1
133.06517	0.5
133.10101	10.5
135.08022	11.1
135.11674	4.6
137.09561	2.2
139.11116	0.5
143.08533	0.9
144.09366	0.4
145.04813	0.4
145.10083	4.4
147.04382	1.9
147.08003	1.7
147.11664	45.1
149.09599	8.6
149.13226	13.9
151.11163	0.6
158.10881	2.0
161.09587	6.0
163.11075	0.7
163.14771	2.0
165.12775	0.4
173.13213	13.1
176.11934	2.0
191.14272	100.0
204.03645	0.5
209.15327	21.3
219.84293	0.4
220.10432	0.6
246.08327	0.5
290.11011	3.1
308.12201	0.5
336.11661	0.6
387.40878	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2058
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.9
55.01855	3.5
55.05508	5.2
57.03419	5.4
57.07061	3.6
58.53267	0.7
59.04970	1.6
59.21079	0.6
61.02905	3.1
65.03920	1.8
67.05497	6.4
68.76905	0.7
69.03063	1.2
69.03414	22.1
69.07056	6.8
70.06549	1.5
71.04979	12.8
72.05299	0.9
73.02905	0.8
76.55730	0.7
79.05471	4.5
81.03391	5.0
81.07029	11.2
81.07479	0.9
83.04966	8.5
83.08607	3.1
85.02886	20.5
85.06532	5.7
87.04445	3.8
88.25864	0.8
91.05458	15.6
93.07020	10.4
95.04944	100.0
95.08581	15.4
97.02863	7.4
97.06514	1.6
99.04417	16.5
99.08044	1.0
105.06998	11.5
107.04916	0.9
107.08585	22.7
109.02846	1.7
109.06497	12.2
109.10156	6.3
111.08074	9.1
115.07584	0.8
117.06962	1.4
119.04919	21.4
119.08542	8.1
121.06454	3.1
121.10120	14.6
122.06007	1.3
123.08017	5.1
123.11697	4.0
125.09605	21.8
127.03838	5.4
129.09062	1.8
131.08522	11.5
133.10109	27.0
135.08029	18.0
135.11652	7.3
137.09554	2.6
137.13242	1.7
143.08492	1.3
145.04942	1.3
145.10095	6.9
147.04381	47.6
147.07967	1.0
147.11641	4.0
149.09583	15.2
149.13223	4.7
150.10361	3.2
151.11177	2.8
153.09087	22.3
155.14272	4.5
156.14616	3.7
158.10893	4.7
161.09564	0.9
163.03894	1.1
163.06180	0.8
163.07430	0.9
163.11145	7.0
163.14706	5.1
165.12723	3.1
167.06917	0.9
167.10620	1.0
172.77275	0.8
173.11862	1.1
173.13216	28.7
173.14873	0.9
173.15385	1.1
174.07655	1.0
174.15729	1.4
176.11949	1.6
191.03365	14.9
191.10606	1.7
191.14273	72.0
209.07822	3.2
209.15334	65.8
266.10074	0.9
353.19562	1.7
354.11978	0.8
371.12827	1.3
371.16589	20.6
371.20645	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	371.206
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60556	0.6
53.03939	0.8
53.66401	0.8
55.05490	4.1
57.03428	1.5
57.07064	5.1
61.02930	1.6
65.03886	0.8
67.05491	5.3
69.03422	6.1
69.05117	0.7
69.07055	10.0
71.04980	6.8
79.05478	8.9
81.03384	3.0
81.07041	5.8
83.04974	1.7
83.08621	1.9
85.02895	10.5
85.06522	4.3
91.05468	9.6
93.07028	39.2
95.04948	100.0
95.08593	4.9
97.02877	3.8
97.06523	0.9
99.04444	15.3
101.34169	0.7
105.07011	8.1
107.08583	37.1
109.02867	0.8
109.06522	3.7
109.10162	3.2
111.08036	1.0
113.05990	1.0
115.07561	1.2
119.04928	4.2
119.08557	7.8
121.10123	88.8
127.03879	0.8
133.10106	7.7
135.11673	5.0
137.09608	1.4
139.11192	0.9
145.10112	3.3
147.04411	9.6
147.11717	0.9
151.11125	1.1
153.09090	14.8
163.14775	16.2
167.14384	1.1
173.13255	4.5
186.65846	0.8
191.14287	9.4
209.15338	27.7
314.57990	0.9
371.16660	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.8
55.01860	2.9
55.05269	0.7
55.05508	14.3
57.03428	6.4
57.07064	6.3
59.04979	1.6
61.02901	1.2
65.03919	1.0
67.05500	9.9
69.03416	14.8
69.07051	11.1
71.04974	10.2
71.31065	0.7
72.05306	0.8
73.02879	2.8
79.05482	13.3
81.03405	9.7
81.07039	34.5
83.04961	10.3
83.08609	11.9
85.02417	1.3
85.02893	25.6
85.06526	4.1
88.85764	0.7
89.03916	0.7
91.04893	1.1
91.05457	32.7
93.07021	22.6
95.04949	7.3
95.08590	11.4
97.02869	9.5
97.06512	4.6
98.97541	0.7
99.04438	4.0
104.74104	0.8
105.07009	19.1
107.08575	33.8
109.02873	8.7
109.06501	29.6
109.10142	30.3
111.08076	8.0
115.03923	0.9
117.07031	1.7
119.04922	44.3
119.08572	10.7
121.06499	3.4
121.10132	21.2
123.08033	4.3
123.11690	9.8
125.09609	5.3
127.03886	9.0
127.07545	1.3
128.56676	0.8
129.05508	0.8
131.07042	2.4
131.08536	13.1
133.02809	8.7
133.10107	41.3
135.04373	1.2
135.08044	7.5
135.11659	14.6
137.05966	1.6
137.09602	1.2
137.13191	1.1
139.11176	1.3
143.08528	4.2
145.02856	1.1
145.04939	1.6
145.08551	3.1
145.10112	6.2
146.08961	1.5
147.04391	100.0
147.11678	5.3
148.04701	1.3
149.06010	0.9
149.09619	1.5
149.13229	15.1
151.11165	3.5
153.09067	3.4
158.10907	3.7
159.11650	1.0
163.03928	6.0
163.14810	4.4
165.05414	1.1
165.09142	0.8
167.14287	11.4
171.10080	1.3
173.13196	19.8
175.14799	1.8
178.02576	5.7
191.14265	20.6
193.04932	43.3
201.64534	0.7
209.15312	13.0
317.17459	0.7
346.74042	0.8
353.19489	3.7
371.16705	9.8
371.20480	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1672
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
50.41972	0.3
55.01345	0.3
55.05495	0.9
57.03430	0.5
57.07067	0.4
60.13603	0.3
67.05474	1.5
69.03407	1.5
69.07037	0.6
71.04973	2.0
72.31313	0.3
79.05473	0.6
81.03384	0.4
81.07019	2.8
83.04936	0.5
83.08593	1.4
83.20334	0.3
85.02889	2.4
85.06522	0.5
91.05466	5.2
93.07019	2.3
94.94998	0.3
95.04945	1.8
95.08583	2.4
97.02831	0.7
99.04419	0.5
105.07017	1.7
107.08575	2.7
108.07709	0.4
109.06492	2.4
109.10149	2.1
111.08039	0.5
117.06965	0.4
119.04908	5.6
119.08541	1.3
120.05260	0.7
121.10144	0.6
127.03899	0.5
129.09120	0.7
131.08546	2.1
133.10089	6.8
135.08067	0.8
136.32390	0.4
145.10152	0.5
147.04373	10.9
147.05472	0.6
148.04704	2.6
149.09599	0.5
149.13226	1.4
173.13211	1.8
179.94301	0.4
191.07080	0.5
191.14351	3.3
209.07924	0.7
209.11494	2.3
209.15337	1.6
216.46942	0.4
276.55597	0.4
316.58734	0.4
371.16675	100.0
372.17072	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1909
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25632	1.3
55.01861	9.2
55.05502	23.7
57.03426	29.5
57.07066	21.1
59.04981	2.4
61.02915	8.1
62.92018	1.2
67.05492	34.2
69.03423	10.7
69.07050	72.2
70.06577	3.1
71.04978	23.9
73.02893	30.8
78.06389	1.3
79.05480	20.6
80.75450	1.3
81.03389	3.7
81.07030	25.0
82.69961	1.4
83.04978	12.5
83.05392	1.5
83.08594	12.9
84.08118	1.8
85.02888	29.7
85.06525	86.0
87.04466	3.4
88.09988	1.4
88.39870	1.4
89.06019	2.3
91.05437	5.5
93.07021	24.6
94.06563	3.2
95.04936	39.8
95.08088	1.5
95.08565	13.3
97.02865	9.8
97.06511	43.3
99.04440	20.9
99.08064	10.0
101.06014	2.7
109.02906	2.5
109.10146	24.4
110.11397	1.6
111.08049	17.5
113.06007	2.9
113.09626	7.4
115.07545	100.0
117.05453	14.3
121.06519	1.8
122.05994	3.6
127.03919	2.4
129.09087	13.0
137.05951	2.2
137.09560	20.0
147.04431	1.7
150.05476	75.9
150.06656	3.2
153.10210	2.9
155.07001	1.9
155.10638	50.4
168.06602	2.1
172.20949	1.5
173.08104	2.5
173.11693	45.3
191.05652	8.3
191.12753	23.2
209.06720	2.6
209.09178	12.7
209.13803	48.0
251.91187	1.4
257.35019	1.9
354.29520	1.5
366.84479	1.5
369.27664	1.6
371.13666	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1673
Annotation	Asn Thr His
Peak:m/z	Relative Intensity
54.82084	0.3
56.66225	0.3
70.34846	0.4
78.73151	0.3
79.40088	0.4
81.07034	0.4
85.02882	0.5
91.05465	0.8
95.08583	0.5
95.37004	0.4
105.07025	0.7
107.08526	0.5
119.04910	0.9
119.08614	0.5
121.10152	0.4
128.06200	0.3
132.14565	0.3
133.10162	0.4
145.10109	0.4
147.04332	2.7
149.09634	0.5
151.40636	0.4
209.07962	0.3
209.11493	3.5
209.15477	0.4
297.71115	0.4
314.96796	0.4
371.16699	100.0
372.16901	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.1097
Annotation	CAY10415
Peak:m/z	Relative Intensity
58.22027	0.9
62.57580	1.0
64.25751	1.0
93.07024	1.7
105.07015	1.3
128.15010	1.0
167.06987	1.2
174.37866	1.3
174.91786	1.1
190.39389	1.3
297.07498	1.3
339.08301	1.8
371.10950	100.0
371.46634	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
52.63396	0.1
55.67894	0.1
56.86980	0.1
57.03420	0.2
57.05541	0.1
57.99488	0.1
64.33096	0.1
65.03928	1.4
66.82387	0.1
67.05494	0.2
69.03407	0.6
70.06561	0.3
71.04990	0.2
76.56200	0.1
79.05483	0.2
81.03390	0.2
81.07042	0.3
83.05000	0.1
84.98016	0.1
85.02882	0.8
86.09720	0.1
91.05457	19.9
92.51119	0.1
93.07023	0.5
95.04936	0.3
95.08585	0.5
97.02899	0.2
99.04433	0.5
99.08102	0.1
105.07021	0.2
107.08562	0.2
109.02893	0.1
109.10142	0.7
110.02368	0.1
110.10422	0.1
113.09670	0.2
119.04916	44.3
120.05220	0.2
121.10113	0.5
125.49783	0.1
127.03862	0.1
131.08534	0.2
137.06027	0.1
137.09572	0.2
147.04385	100.0
148.04741	1.5
149.13197	0.1
155.10675	0.4
163.03783	0.2
165.05403	0.2
173.11642	0.2
194.02055	0.2
208.09593	0.3
209.04420	1.0
209.07860	0.5
209.09818	0.2
209.15205	0.1
317.27292	0.1
371.13007	0.3
371.16602	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.097
Annotation	Fraxin
Peak:m/z	Relative Intensity
51.22166	0.1
53.03945	0.2
55.05493	0.2
57.03426	0.2
58.22247	0.2
60.04506	0.7
65.03915	0.7
68.22352	0.2
69.03400	1.1
70.06566	1.0
71.04962	0.4
73.02901	0.3
79.05456	0.3
81.03388	0.3
82.04173	0.4
83.04960	0.3
85.02892	2.7
87.04440	0.4
91.05465	3.4
92.02586	0.2
95.04938	0.4
96.77629	0.2
97.02867	0.7
98.97559	0.3
100.07571	0.4
100.11209	0.7
106.06506	0.2
107.04942	6.5
109.10074	0.3
110.03641	0.4
111.04435	0.4
119.04918	4.2
120.05177	0.2
121.02837	1.4
127.03852	0.3
128.07072	0.3
135.04398	5.2
138.03113	1.4
145.03879	0.2
147.04391	10.5
148.04715	0.4
148.59456	0.2
149.02319	17.8
150.02998	0.2
153.05444	5.5
163.03873	10.1
165.05417	0.4
166.02570	3.6
177.01797	1.1
181.04913	3.7
182.15367	1.1
188.37852	0.2
194.02074	19.0
209.04420	100.0
210.04785	0.7
210.14853	1.1
337.20764	0.2
354.23578	0.3
371.12625	0.2
371.16696	3.9
371.26489	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	371.0969
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01878	0.2
55.05499	0.2
57.03427	0.3
57.07088	0.2
59.05002	0.2
65.03934	1.6
67.05499	0.3
69.03416	0.9
69.07056	0.9
69.71051	0.1
70.06592	0.2
71.04983	0.9
72.08122	0.2
76.44877	0.2
79.05481	0.3
81.03411	0.3
81.07050	0.4
83.01949	0.2
83.04970	0.3
83.08570	0.2
85.02894	2.2
85.06525	0.7
87.00825	0.3
87.04402	0.2
91.05460	20.5
93.07024	0.7
94.07367	0.2
95.04953	0.8
95.08592	0.8
97.02857	0.6
97.06514	0.3
99.04459	0.3
105.01865	0.3
105.06988	0.2
107.04939	0.2
107.08600	0.9
108.08946	0.2
109.02863	0.3
109.06498	0.3
109.10142	0.8
110.10496	0.2
114.36359	0.2
115.07530	0.3
119.04922	46.8
120.05231	0.3
121.10086	0.2
127.03898	0.6
127.11184	0.3
133.10107	0.6
135.11656	0.7
136.12036	0.7
137.09592	0.2
139.03879	0.3
145.02820	0.2
145.04942	0.2
147.04388	100.0
148.04712	1.0
148.05984	0.2
153.12704	0.3
154.13049	0.3
155.10646	0.6
156.10968	0.2
163.03876	0.7
165.05435	0.2
173.11707	0.3
173.13118	0.2
189.04457	0.2
203.69856	0.2
209.04367	1.0
209.15385	0.3
339.25235	0.2
371.12839	0.2
371.16721	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	370.1707
Annotation	Unknow
Peak:m/z	Relative Intensity
51.58058	1.1
53.03929	1.1
55.01861	2.3
55.05505	9.1
56.96550	1.7
57.03417	8.8
61.02915	9.2
67.05502	10.2
67.42720	1.2
69.03421	14.9
69.07047	4.8
71.01328	5.2
71.04977	84.7
72.08161	1.9
73.02894	11.2
79.05475	8.2
81.03394	11.1
81.07032	14.7
83.04958	19.5
85.02893	80.3
85.06527	16.4
87.04436	12.1
91.03907	1.8
91.05431	2.3
93.07014	2.5
95.01310	2.6
95.04924	11.3
95.08607	2.5
97.02869	9.1
97.06505	18.5
99.04435	11.3
101.02427	1.7
101.06010	14.2
109.02859	5.0
109.06503	19.9
109.10140	5.8
111.04430	12.2
111.08060	1.5
113.02330	3.1
113.05985	25.7
119.04934	2.7
125.05985	7.2
127.03902	7.1
127.07519	26.8
129.05434	1.7
137.05968	15.8
137.09579	5.2
138.05476	1.2
143.07014	7.2
145.04950	2.5
145.08617	2.1
146.05942	2.0
147.04398	8.5
155.07010	63.9
155.10645	10.7
173.08055	100.0
173.11739	2.8
191.09109	35.9
208.09639	2.5
237.02834	2.0
272.37134	1.4
370.11060	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	370.1706
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01769	0.5
57.03427	1.2
58.49872	0.5
61.02907	0.8
67.05479	1.3
68.57140	0.6
69.03418	3.0
71.04976	84.7
73.02907	0.9
81.03399	2.1
81.07044	0.9
85.02891	10.9
85.06536	10.3
91.03962	0.6
91.05474	0.9
95.04936	1.3
97.02866	4.1
99.04408	0.6
105.95871	0.5
108.22878	0.5
108.25879	0.6
109.02856	1.0
109.10143	2.3
110.10477	0.6
113.05991	9.2
119.04929	2.9
119.80325	0.5
127.03855	0.7
127.07539	25.8
129.09071	0.8
131.07010	27.7
132.58989	0.5
141.05428	1.0
141.12718	0.7
145.04948	2.1
145.08582	100.0
147.04382	6.8
160.76405	0.5
171.97044	0.6
172.13992	1.1
173.08092	2.7
173.11705	0.7
180.08736	1.0
191.09111	17.2
208.11774	2.2
301.50616	0.6
367.35025	0.6
368.26154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
52.96589	0.4
53.03939	1.0
55.01856	1.2
55.05493	1.9
56.92973	0.4
58.33628	0.4
65.03944	0.5
67.05491	1.0
69.07043	5.6
79.05473	7.7
81.03388	2.0
81.07030	7.4
83.04961	1.1
91.05457	1.2
93.03361	0.8
95.04933	3.0
96.05680	0.8
97.06493	5.8
97.63904	0.5
103.05468	0.8
104.06236	0.8
107.04941	0.8
108.66505	0.6
119.04908	2.1
123.04396	7.2
129.06935	0.8
131.04909	7.5
132.05675	3.1
134.03593	1.2
135.04378	0.5
145.06485	4.4
147.04375	5.8
149.02296	0.7
151.03889	2.6
155.08493	0.6
158.87451	0.6
159.04405	2.5
159.08005	2.2
160.05176	3.0
161.05894	2.0
163.03870	5.1
173.05876	0.8
173.09624	1.0
175.03857	3.6
176.04597	0.9
177.05392	7.9
184.08836	0.7
185.05991	0.8
185.09668	0.5
187.07439	0.6
189.05414	18.8
191.03336	2.5
201.07275	0.6
201.09073	15.7
202.06194	0.7
202.09850	17.6
203.03331	1.0
203.06992	17.3
203.10600	8.9
207.02870	2.7
217.08122	0.5
219.02733	1.2
221.04416	1.1
225.08968	1.1
229.08571	3.0
231.06450	4.2
231.10109	9.0
233.04462	1.1
237.37044	0.6
243.10095	1.0
244.85582	0.6
245.11652	36.2
253.08504	2.0
255.10109	5.9
267.04828	3.7
271.09537	4.9
273.11136	2.4
275.09064	20.3
281.07941	1.0
289.10574	7.8
293.06534	2.2
299.09024	8.3
317.10074	10.5
335.11160	100.0
336.11719	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	370.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	4.3
57.03429	2.1
61.98454	0.7
68.99776	1.6
69.07046	3.9
77.72612	0.7
79.05479	4.1
91.05455	1.2
95.04939	1.0
97.06501	7.7
102.33305	0.8
103.05453	5.1
105.07026	1.2
107.17426	0.8
115.05400	1.1
115.07551	5.0
117.06972	1.3
123.04407	7.7
128.35939	0.9
129.06963	4.2
131.04893	9.7
133.06454	1.1
140.19258	1.0
141.06964	5.9
143.08542	1.4
145.06409	1.2
145.10129	1.2
147.04376	6.0
148.25760	0.9
149.05939	7.6
151.03900	5.7
152.06169	1.3
153.06966	6.4
154.07687	1.1
155.08566	8.8
157.06406	1.1
159.04405	1.0
159.07996	7.0
160.05194	1.5
161.05933	8.8
161.09541	1.1
163.03851	1.3
165.05721	1.0
165.06906	7.7
166.07730	5.2
167.08600	1.8
168.05676	1.1
169.06422	4.3
169.10066	8.2
171.07997	1.7
173.05925	11.0
173.09567	2.1
174.06740	4.4
175.03830	6.5
175.07509	6.6
177.05472	8.7
178.07726	1.1
179.08470	19.7
181.06462	5.3
181.10072	7.8
182.07207	3.1
183.08023	13.9
184.05206	1.0
185.05962	3.8
185.09552	6.6
186.06659	4.1
187.03859	1.9
187.07501	27.0
188.08206	2.0
189.05467	5.1
189.09015	10.7
191.08533	4.6
193.04913	14.7
193.06474	3.4
194.07222	7.7
195.08037	3.9
197.05956	9.4
197.09587	20.2
198.06674	1.1
199.07545	13.4
200.08243	8.1
201.09065	81.1
203.03331	1.1
203.06952	1.2
205.04973	1.3
207.07993	17.9
208.08847	1.6
209.09554	22.0
210.06665	9.5
211.07516	29.9
212.08182	6.6
213.05440	1.9
213.09056	4.1
214.06229	3.5
215.07025	4.1
215.10608	27.4
217.05014	1.4
217.08586	6.1
219.08168	1.5
219.10168	6.9
221.04439	4.9
225.05453	4.8
225.09050	100.0
226.06148	1.2
226.09575	1.5
227.07051	3.9
227.10599	3.9
229.08527	27.6
235.07500	4.3
236.08405	1.1
237.09012	9.4
238.06349	1.9
239.07027	5.2
242.05652	1.8
243.10103	19.0
245.07982	10.1
245.11801	1.3
247.09604	1.9
253.08524	40.1
254.09352	10.6
255.09998	4.5
257.08096	4.4
261.11090	1.3
271.09579	41.5
281.07996	16.8
289.10626	30.1
299.09067	27.7
305.47552	0.9
307.11636	17.1
317.10080	11.2
335.11145	13.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.3148
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	3.2
55.05494	15.6
55.34620	2.2
57.07068	4.2
67.05490	35.1
69.07050	19.2
71.04967	5.8
71.54733	3.0
73.05964	3.1
79.05481	25.0
81.07037	100.0
83.08604	5.2
91.05453	16.0
93.07021	62.8
95.04938	3.6
95.08588	68.9
97.06514	16.3
97.10173	7.3
105.07009	52.9
107.08588	57.4
109.10158	33.7
113.65604	2.9
119.08572	36.6
121.10105	41.7
123.11658	17.1
131.08577	6.6
133.10130	25.1
135.11673	20.5
145.10168	17.4
147.11641	22.3
149.13249	37.6
159.11703	19.3
161.13239	20.2
163.14821	21.0
173.13235	4.8
175.14803	6.2
187.14888	5.6
189.16406	13.9
191.17966	4.3
201.16284	12.7
203.17957	5.3
213.16277	4.1
217.19495	7.6
241.19423	3.8
255.35182	3.1
270.35364	3.4
351.30453	11.1
369.31467	27.9
369.38690	4.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2114
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	1.1
53.03938	1.5
54.81636	1.0
55.05502	16.2
56.96806	0.8
57.03424	2.2
57.07067	8.5
59.04986	4.9
61.02916	3.8
67.05493	15.6
67.94925	1.0
69.03402	6.7
69.07053	100.0
71.04974	5.6
79.05463	10.6
81.03397	1.8
81.07035	42.4
83.04961	1.6
83.08592	16.5
85.02890	19.7
85.06548	1.5
85.98758	1.0
91.05442	8.0
91.19758	1.0
93.07018	62.7
95.04937	1.3
95.08582	49.2
97.02874	1.9
97.06509	12.1
100.06831	1.0
105.07020	1.2
107.08575	67.5
109.02869	1.0
109.06480	1.3
109.10134	56.7
111.08054	1.7
111.11728	1.7
114.92237	0.9
119.08563	1.5
123.11680	18.7
125.13221	3.7
127.03928	1.4
129.09076	1.3
135.11665	95.1
137.13239	3.6
145.04932	1.1
147.04321	1.3
153.12714	81.3
153.88261	1.0
171.13748	21.2
189.14830	23.0
310.75150	1.0
369.15521	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05506	19.1
57.03420	5.5
57.07056	7.0
58.83383	0.8
59.04980	5.0
60.54762	1.1
61.02921	1.4
64.33546	1.0
64.64591	1.0
67.05489	17.8
69.03416	7.4
69.07053	95.0
69.92595	1.0
71.04969	7.4
74.25030	1.0
79.05484	11.6
81.03413	4.1
81.06601	1.7
81.07038	39.1
83.04974	5.9
83.08602	12.5
85.02882	19.3
85.06535	2.1
89.03896	2.0
91.05458	7.5
93.07018	64.8
94.36974	1.0
95.04932	1.8
95.08582	59.9
96.13035	1.0
97.02853	4.1
97.06504	15.1
105.07018	2.3
107.08575	85.5
108.08898	4.7
109.02923	1.2
109.06467	2.3
109.10143	56.7
111.08064	4.2
111.11702	1.9
114.37413	1.2
115.07533	1.1
117.03300	1.3
119.08567	1.3
122.94949	1.0
123.11682	16.5
125.13238	1.2
127.03894	1.9
135.04381	5.4
135.11664	83.5
136.06116	1.0
136.11992	1.7
137.13179	2.0
138.69997	1.0
145.02858	2.6
153.09138	2.1
153.12714	100.0
154.13051	5.1
163.03856	13.6
169.86458	1.2
171.10143	2.0
171.13776	19.0
172.10382	1.5
174.30556	1.1
189.13120	1.4
189.14824	37.1
204.68280	1.1
369.15216	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	369.2116
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03951	1.2
55.01862	1.3
55.05264	1.5
55.05505	22.3
57.03419	6.6
57.07070	7.6
59.04985	5.7
61.02914	1.4
67.05487	15.8
69.03413	7.6
69.07053	100.0
70.06582	1.9
71.04968	8.8
73.02887	1.6
73.06540	1.1
75.14302	1.0
79.05470	10.7
80.67332	1.0
81.03407	1.3
81.06546	1.3
81.07039	36.3
83.04985	2.3
83.08605	11.6
85.02884	22.2
85.06512	4.1
89.03893	2.0
91.05473	8.2
93.07023	58.0
95.04968	2.0
95.08584	47.8
97.02884	4.2
97.06509	16.6
97.44080	1.3
98.58364	1.0
99.08079	1.3
101.05960	1.5
105.06995	4.9
107.04922	6.6
107.08578	74.2
108.08926	1.8
109.09390	1.6
109.10139	50.0
111.08055	2.3
115.07485	3.1
117.03333	2.3
119.08559	4.5
123.11680	13.6
125.13260	1.0
127.03857	1.8
127.08690	1.3
133.06497	2.3
135.04410	4.4
135.11673	68.6
145.02832	3.9
145.04982	1.0
153.09125	2.2
153.12721	81.3
155.08138	1.1
163.03850	12.2
171.13763	15.7
172.10519	1.4
189.14847	23.6
207.15884	1.1
279.94418	1.0
349.86557	0.9
369.14963	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	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	2.4
55.01851	1.2
55.05496	3.6
57.03411	1.2
57.07052	0.7
57.33968	0.4
61.02903	2.9
62.47386	0.5
67.05474	1.2
69.03411	15.7
69.07031	3.7
73.02884	0.8
79.05054	0.7
79.05473	14.6
81.03375	2.1
81.07024	3.0
83.04960	5.1
83.05403	0.5
83.05605	0.4
85.02885	17.1
90.40255	0.5
91.05464	5.7
93.07008	4.5
95.04936	3.4
95.08562	2.1
97.02882	6.1
97.06490	1.3
99.04434	1.3
103.05436	4.6
105.04493	0.6
105.07005	11.5
107.08566	10.3
109.02831	0.7
109.06464	2.3
117.06985	1.3
119.08553	7.6
121.06476	17.4
121.10139	4.7
123.08027	3.9
127.03876	2.5
129.06911	0.7
130.07782	0.8
131.08528	4.8
133.06461	100.0
133.10052	5.4
135.08018	8.2
137.09554	0.7
142.38835	0.6
143.08517	2.2
144.09366	0.6
145.04872	1.4
145.06474	1.0
145.10072	2.3
147.08031	4.9
147.11707	2.7
149.09610	3.2
149.13271	0.8
151.07520	0.8
156.09302	0.9
158.10841	3.9
159.07985	3.0
160.08817	1.0
161.09651	5.1
161.10785	0.7
163.11150	14.8
173.13226	3.7
173.62132	0.6
174.10326	3.1
175.08513	0.6
176.11937	0.7
187.03899	1.2
189.12689	21.2
191.14259	31.9
192.68758	0.6
201.08954	0.7
203.10597	0.7
207.13770	23.0
209.84521	0.6
229.08575	5.9
261.06525	0.5
285.49432	0.6
289.10568	2.9
309.33524	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2275
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00315	2.1
53.03956	2.2
55.05515	9.7
56.96560	2.1
57.03437	20.0
57.07067	5.2
61.02906	5.1
67.05498	21.5
69.03432	18.5
69.07069	17.4
71.04980	37.6
71.08623	58.9
75.31911	2.0
80.53358	2.0
81.03397	8.6
81.07042	3.1
83.08609	15.9
85.02889	47.1
87.00838	5.4
91.05476	24.7
95.08584	3.2
96.94650	2.2
97.02877	14.2
97.10170	3.3
99.04430	2.5
99.08079	49.1
105.01859	8.5
109.02856	4.7
109.10139	73.1
127.03899	14.7
127.11181	13.9
132.21185	2.2
145.05025	3.3
145.12222	100.0
171.13794	12.0
189.14812	23.8
310.18240	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	369.1902
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.2
53.08419	0.5
54.81888	0.5
55.01865	1.0
55.05503	4.7
57.03421	3.5
57.07055	1.0
59.63186	0.5
61.02908	3.6
65.03919	0.8
67.05489	1.3
69.03412	19.3
69.07047	3.0
69.96849	0.5
70.87570	0.5
71.04955	2.4
72.37035	0.5
73.02884	1.2
75.64790	0.6
79.05478	13.0
79.05912	1.0
81.03395	3.6
81.07042	3.6
83.04954	6.9
84.59954	0.5
85.02884	20.4
85.03360	0.9
87.04465	0.7
91.03949	1.0
91.05442	4.9
93.06998	5.5
95.04932	4.8
95.08590	3.8
97.02882	6.4
97.03454	0.9
97.06528	1.1
99.04427	1.1
103.05450	4.9
105.07007	13.1
107.04945	0.7
107.08569	11.2
109.02864	1.2
109.06533	2.7
109.10149	1.0
109.40996	0.6
115.18690	0.5
117.07000	2.6
119.08553	10.6
121.06474	22.7
121.07307	0.9
121.10113	8.0
123.08064	4.6
127.03910	2.8
128.06143	0.9
129.07011	0.9
129.49234	0.6
130.07703	0.5
131.08568	5.1
133.06462	100.0
133.10085	8.1
135.08034	12.1
135.11739	0.9
137.09613	2.3
142.07739	0.6
143.08534	3.2
144.09351	0.7
145.04935	2.3
145.06468	2.1
145.10123	3.6
147.07977	4.5
147.11650	5.9
149.09602	3.6
149.13254	0.9
156.09344	0.9
158.10884	4.5
159.08002	4.1
160.08794	2.1
161.09593	5.0
161.13245	1.2
163.11142	21.6
171.11621	0.6
173.13196	6.0
174.10353	6.7
176.11841	0.6
187.03853	1.3
189.12697	31.8
191.10596	0.7
191.14267	32.0
201.09155	2.2
207.13756	27.1
211.07480	0.6
223.91833	0.6
229.08553	6.8
289.10651	3.6
303.69531	0.6
356.84659	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2278
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38864	0.6
53.00312	1.0
55.05498	4.2
56.48182	0.6
56.63590	0.6
57.03431	21.2
57.07069	7.1
61.02913	4.4
67.05495	17.5
69.03407	7.4
69.07052	9.1
71.04976	44.0
71.08614	53.6
71.53860	0.7
72.32667	0.7
73.02909	0.9
81.03395	1.7
81.07053	5.1
83.04963	0.8
83.08607	11.7
85.02893	25.9
87.04451	1.2
88.46511	0.8
88.88548	0.7
91.03938	0.7
95.08633	0.8
97.02882	6.6
99.08072	48.7
105.39864	0.8
109.02861	1.2
109.10143	79.7
127.03921	3.2
127.11161	13.4
135.11652	0.8
145.04982	1.9
145.12216	100.0
153.12714	3.7
171.13788	10.9
189.14825	26.9
238.98819	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01879	1.0
55.05504	9.8
57.03419	4.9
57.17867	0.7
59.04989	3.5
61.02915	4.9
62.06084	1.0
67.05489	7.3
67.28296	0.9
69.03416	13.2
69.07052	25.1
69.07403	1.4
71.04977	8.7
73.02911	1.4
79.05461	8.0
81.03390	4.8
81.07036	17.3
82.07384	0.9
83.04970	9.8
83.08617	7.5
85.02890	30.8
85.06537	3.8
87.00752	1.1
87.04435	2.1
89.03858	1.5
90.05479	1.0
91.05470	3.9
93.07027	35.8
95.04936	7.5
95.08584	19.7
97.02850	9.2
97.06516	42.1
99.04436	4.7
105.01858	0.9
105.07001	1.4
107.08579	54.6
109.02863	3.8
109.06498	9.9
109.10140	23.8
111.04454	2.1
111.08057	15.7
111.11726	1.5
112.63683	1.0
113.05991	4.2
115.03899	1.6
115.07557	1.6
117.03378	1.7
117.06972	0.9
124.61470	0.8
125.05971	1.6
125.09600	12.0
127.03884	8.2
127.07546	5.1
129.05469	1.0
129.09131	1.7
135.04414	7.5
135.08044	5.6
135.11674	73.5
139.03860	3.2
145.02846	1.7
145.04942	7.3
153.05493	1.4
153.09109	25.2
153.12721	100.0
163.03873	14.8
163.05966	3.7
169.12216	1.0
171.06554	4.0
171.10126	21.3
171.13773	6.3
187.13284	1.5
189.07515	3.5
189.11229	8.5
206.04485	1.0
212.98409	1.5
235.93877	1.7
239.97185	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2276
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.2
55.01862	2.0
55.05504	13.2
57.03424	8.3
57.07054	9.8
59.04974	8.4
61.02905	3.7
64.34122	1.2
67.05489	21.3
69.03410	15.1
69.07056	75.6
70.06557	2.0
71.04976	8.3
73.02903	2.7
75.04446	8.1
79.05466	8.4
81.03389	6.3
81.06605	1.9
81.07040	39.0
83.04961	2.9
83.08594	20.1
85.02423	2.1
85.02895	37.3
85.06523	1.6
85.17178	1.4
87.04421	1.6
91.05447	7.8
93.07024	64.0
95.04913	2.6
95.08586	100.0
97.02851	10.8
97.06499	18.1
97.10156	2.4
99.04432	2.1
99.90378	1.3
105.06992	2.9
107.08579	69.0
109.02866	2.5
109.10139	62.6
110.10436	2.1
111.04433	1.8
111.08080	2.9
111.11726	3.3
115.07545	2.5
119.08572	3.2
123.11672	16.4
125.13213	5.6
126.27923	1.7
127.03883	3.0
135.11674	78.4
137.13210	2.9
145.04913	3.6
147.11604	5.2
151.12036	1.5
153.12720	96.1
159.89166	1.5
171.08063	2.1
171.13768	52.7
173.13252	1.4
189.14763	10.8
206.11676	2.5
332.88959	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.2
55.05482	0.2
55.76965	0.2
56.05013	1.5
57.03418	0.3
60.04497	0.3
69.03402	1.1
71.04978	0.2
74.02409	0.2
82.06564	0.2
83.04963	0.3
84.04498	0.3
84.08121	85.2
85.02880	1.1
86.09695	1.8
94.65576	0.2
97.02858	0.5
105.03380	0.2
111.04397	0.4
117.74397	0.2
130.08607	100.0
131.08853	0.3
132.04453	0.4
132.10194	0.4
132.45483	0.2
137.98676	0.2
142.08615	0.3
146.08084	0.8
150.05505	0.3
178.04947	75.1
179.05276	1.0
188.09131	2.2
189.07454	0.3
206.04440	58.9
206.10187	1.2
207.04758	1.2
239.51689	0.2
368.09647	3.8
382.52142	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	368.2273
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.1
54.81149	1.2
55.01862	1.1
55.05505	14.7
56.05009	1.1
57.03428	8.9
57.07058	5.1
57.48737	0.7
59.04976	5.8
61.02901	4.2
61.31536	0.8
62.91688	0.9
65.03917	1.4
65.24256	1.0
67.05486	14.7
69.03412	9.4
69.07053	37.4
70.06564	1.1
71.04974	9.3
71.08650	1.3
73.02892	1.8
73.06533	44.4
75.04449	5.6
79.05457	3.9
81.03399	3.9
81.06596	1.5
81.07037	25.4
82.07360	3.8
83.04945	5.4
83.08598	12.0
85.02886	33.7
85.06521	15.1
86.06872	1.4
86.27263	0.8
91.05473	1.7
92.08691	1.7
93.07027	14.9
94.25477	1.0
94.26322	0.8
95.08582	68.1
96.08909	6.0
97.02849	6.2
97.06496	9.4
97.10121	2.0
99.04408	1.7
99.08057	5.3
101.06011	1.6
105.07014	1.2
107.08567	22.9
109.02891	2.1
109.06487	1.1
109.09386	1.8
109.10134	45.0
110.10478	5.7
111.04408	5.3
111.08054	5.5
111.11680	2.1
112.81258	0.9
113.09624	4.2
119.08533	1.1
121.10007	1.0
123.11679	18.4
125.09546	1.8
125.13197	1.2
127.03904	4.0
133.10092	1.7
135.11674	24.8
141.12714	12.8
143.10619	1.3
145.04933	1.9
147.04404	1.6
150.94102	0.9
152.15034	1.6
153.12717	43.3
163.10773	1.2
169.12007	1.0
169.15784	3.5
170.16164	2.0
171.13762	100.0
173.13309	1.0
189.14932	4.3
206.08702	1.4
226.05016	1.3
239.08945	1.2
240.77983	1.1
241.07295	1.3
267.08511	1.4
284.09097	21.2
309.09427	1.6
351.10434	3.7
368.10901	1.5
369.15170	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2839
Annotation	(+)-Plumosol
Peak:m/z	Relative Intensity
53.03940	2.2
55.05507	21.3
57.07060	12.1
64.33504	2.2
67.05493	24.7
67.55502	2.2
69.07050	28.0
71.04940	3.6
71.08607	4.0
79.05467	14.8
81.07042	33.2
83.04956	2.2
83.08596	12.9
91.05457	5.5
93.07012	26.9
95.08577	31.0
95.45412	2.6
97.06514	2.7
105.07034	15.1
106.97268	2.1
107.08559	26.5
109.06515	9.7
109.10138	14.0
111.08114	2.7
119.08538	22.8
121.10121	18.4
123.08000	32.2
123.11707	5.4
131.08533	9.5
132.13612	2.6
133.10112	12.5
133.78047	2.3
135.08049	15.0
135.11684	5.4
136.77565	2.9
137.09581	4.6
137.13211	3.8
145.10107	3.9
147.11681	5.7
149.09557	7.8
159.11700	5.4
161.13223	5.5
163.14755	2.6
165.12726	2.9
173.13237	2.4
179.14256	19.3
186.68443	2.7
191.14250	4.4
293.21103	3.7
303.26773	42.4
311.06335	2.6
331.26260	100.0
338.98059	2.5
349.27274	36.2
362.65671	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	368.0974
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	0.4
56.05033	0.2
56.96566	0.3
57.03432	0.3
60.04512	0.4
67.05481	0.3
69.03403	1.1
70.06572	0.3
71.04968	0.5
73.02908	0.4
81.03416	0.6
83.04954	0.4
84.04482	0.4
84.08121	6.3
85.02904	1.9
85.06490	0.3
85.33057	0.2
86.09705	2.0
90.35498	0.3
95.04917	0.4
97.02882	0.9
98.06017	0.2
98.97578	0.3
101.05988	0.3
107.04931	1.1
109.02837	0.3
111.04422	0.4
124.86700	0.2
125.06000	0.4
127.03911	0.5
128.06984	0.2
129.05493	0.3
130.08615	7.5
132.04439	0.3
132.10167	0.3
135.04353	0.3
138.05519	0.5
142.08577	0.4
146.05931	0.4
146.08093	1.5
150.05450	0.4
153.05450	0.4
160.07596	0.5
161.04626	0.3
161.07996	0.3
163.04100	0.3
171.06448	0.6
172.07532	1.3
178.04950	100.0
188.07387	0.4
188.09052	2.8
189.07568	1.2
206.04446	80.2
206.10233	1.5
207.04816	0.5
245.09093	0.3
368.09702	5.3
368.14075	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00305	1.5
53.03930	5.9
54.37170	1.2
55.01857	1.9
55.05504	21.5
57.07064	8.3
65.03915	2.9
67.05488	38.6
67.08611	1.4
69.03407	3.4
69.07050	20.3
71.04982	6.3
74.83562	1.1
75.82465	1.2
76.56087	1.7
79.05471	37.9
81.07038	46.9
83.04957	3.0
83.08612	6.0
83.74113	1.6
85.06536	2.4
91.05457	57.8
92.63785	1.3
93.07020	73.0
95.04945	34.2
95.08584	44.6
95.09198	2.0
97.06494	9.9
103.05447	2.5
105.04489	2.2
105.07011	100.0
106.07840	1.5
107.04917	2.4
107.08575	47.5
109.06501	8.5
109.10149	28.0
111.08085	2.3
113.01884	1.5
115.05444	7.6
116.06213	5.7
117.06988	24.3
119.08551	88.5
121.06474	9.1
121.10114	41.6
123.08064	3.2
123.11696	5.8
128.06218	11.5
129.06955	20.5
130.07759	8.7
131.08537	49.2
133.06491	2.1
133.10104	49.0
135.08038	11.8
135.11649	10.8
137.09592	2.1
139.74562	1.2
141.06987	8.4
142.07770	18.6
143.08533	36.2
144.09334	10.3
145.06453	2.4
145.10095	50.3
145.11214	2.0
146.07234	11.5
147.08047	7.1
147.11642	15.3
149.09596	7.9
155.08545	11.9
156.09349	12.0
157.10110	37.7
158.07220	1.9
158.10878	7.2
159.08072	3.4
159.11667	23.8
160.08850	1.9
161.09581	30.2
161.13216	5.5
163.11157	2.0
165.06961	2.5
167.08568	5.3
168.09358	5.3
169.10109	15.5
170.10858	6.4
171.11626	20.4
172.12437	2.8
173.09616	6.4
173.13205	20.0
175.14781	9.7
179.08514	8.7
180.09338	3.1
181.10083	7.2
182.10849	2.2
183.11673	15.2
184.12556	1.6
185.13123	11.5
187.11217	2.0
187.14777	6.6
193.10121	1.6
194.10858	6.2
195.11664	8.1
195.53725	1.5
196.12473	2.4
197.13234	11.0
199.14821	6.3
201.16338	2.9
207.11685	3.4
209.13214	11.8
209.64378	1.4
210.13850	1.6
211.14828	8.2
213.12680	1.9
213.16397	2.1
214.77017	1.4
221.13312	2.0
225.16438	2.5
227.14307	7.3
239.18001	3.1
253.19539	2.6
255.17250	2.5
269.19073	1.4
349.25168	8.4
367.26050	7.9
375.54587	1.5
383.77271	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	7.3
55.01854	34.0
55.05257	7.2
55.05501	89.3
56.96556	8.1
57.03430	44.3
64.63604	5.6
67.05491	100.0
69.03415	7.2
69.07046	31.2
71.04975	8.4
72.01092	5.0
79.05475	85.3
81.03323	5.4
81.07030	86.0
83.04984	49.8
83.08591	37.2
83.94034	5.5
85.02869	9.6
91.05450	58.4
93.07025	94.0
95.04942	68.3
95.08578	56.9
97.06518	26.0
97.10154	7.2
99.04409	28.9
105.07011	54.7
107.04931	22.8
107.08572	55.8
109.06481	11.4
109.10127	34.1
111.04422	74.1
111.08073	8.5
117.06948	19.7
119.08539	28.2
121.10139	39.4
123.08009	12.8
125.09553	7.1
131.08542	31.9
133.10077	27.4
135.11613	8.6
145.10100	34.8
149.09573	43.0
149.38968	6.2
159.11702	12.4
163.11136	38.8
168.09068	5.7
174.00902	5.8
218.00661	5.8
223.13248	42.8
234.33752	5.5
275.19904	55.0
364.02359	5.7
367.24655	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	367.2474
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.5
55.01856	4.7
55.05505	20.7
56.96564	2.7
57.03439	15.7
66.76357	1.7
67.05495	39.2
69.03360	2.1
69.07051	23.2
71.04978	4.6
79.05471	44.1
81.03406	3.6
81.07037	100.0
83.04970	4.7
83.08607	8.2
85.06503	2.2
91.05466	24.9
93.07018	26.5
95.04943	7.6
95.08574	20.9
97.02867	2.0
97.06502	3.4
103.76131	1.8
105.06998	28.4
107.04935	4.9
107.08591	13.9
109.06512	14.9
109.10119	7.9
111.08069	2.6
117.06976	3.7
119.08545	15.8
121.06464	3.0
121.10096	9.1
123.11675	8.0
126.89820	2.1
129.07037	2.8
130.17183	2.2
130.27756	2.0
131.08551	9.0
133.10101	8.2
135.08000	2.7
145.10065	3.0
147.11632	11.7
149.09587	2.3
229.19373	2.6
255.47876	2.1
273.09912	2.5
275.19824	19.5
285.10150	3.3
313.95111	2.2
314.21490	2.2
349.23615	8.8
367.24777	27.5
377.24380	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	367.2475
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97636	2.6
53.03933	3.7
55.01868	37.9
55.05507	88.0
56.96557	3.1
57.03430	51.4
57.07056	2.5
58.58769	2.2
62.26703	2.1
65.03941	2.2
67.05143	4.8
67.05491	100.0
69.03405	4.2
69.07054	44.1
69.90815	2.9
71.04962	15.2
73.31255	2.1
74.45370	2.6
75.71049	2.7
79.05471	90.5
79.05901	4.6
81.03398	5.8
81.07037	82.2
83.04963	67.5
83.08595	40.6
85.02883	17.5
85.06536	3.7
87.21226	2.5
90.91277	2.2
91.05467	58.3
93.07026	85.5
95.04946	81.2
95.08581	55.2
97.06509	20.6
97.10166	17.3
99.04444	26.7
105.07016	48.4
107.04935	17.1
107.08576	75.1
109.06496	18.9
109.10151	19.0
111.04422	65.6
111.08073	15.2
111.95490	2.4
117.07005	21.3
119.08560	35.1
121.06484	12.7
121.10111	43.9
123.08028	10.4
123.11654	3.2
125.05967	3.4
125.09589	9.8
129.06975	4.5
130.07736	2.6
131.08543	32.5
133.10085	17.7
135.11652	16.9
137.09607	4.2
139.11189	5.0
143.08498	3.9
145.10126	26.6
147.08061	3.5
147.11685	11.0
149.09608	41.1
153.12729	10.0
155.08510	4.6
157.10030	3.9
159.11652	15.8
161.13156	3.5
163.11128	38.5
165.12720	3.8
173.09593	2.5
173.13254	3.9
181.12209	4.1
187.11119	3.5
189.11218	10.3
205.12241	5.4
223.13257	51.2
229.19553	4.2
239.17732	3.2
257.18991	12.3
275.20013	56.9
293.21033	19.5
295.77261	2.6
367.24759	56.5
367.84122	3.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.1956
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01849	2.0
55.04941	1.0
55.05505	15.2
55.21026	1.0
56.82111	1.1
57.03421	2.2
57.07060	1.0
59.04970	3.8
61.02916	4.0
67.05487	9.2
69.03411	10.5
69.07050	18.0
71.04974	31.0
73.02906	1.4
79.05467	14.4
81.03381	4.2
81.07032	100.0
82.07353	0.9
83.04965	6.7
83.08601	19.0
85.02884	26.1
85.03362	1.5
85.06536	2.1
87.00800	5.6
91.05454	2.4
93.07002	8.5
95.04953	4.7
95.08569	8.0
97.02863	6.5
97.06494	9.3
97.10142	1.8
99.08062	4.6
100.79800	0.9
101.05974	1.5
101.09630	6.1
105.01833	3.9
105.07035	4.3
107.08564	21.0
109.02879	2.5
109.06499	5.2
109.10136	28.4
110.10442	1.1
111.08061	4.1
111.11708	7.9
113.05987	1.1
118.80460	1.1
121.10105	6.5
123.07986	1.4
123.11674	31.0
125.09635	1.3
127.03900	5.7
133.10112	5.9
139.11182	10.9
145.04922	1.3
151.07220	1.2
151.11154	27.3
157.12212	12.6
169.12195	31.6
171.10170	1.3
187.13245	46.9
205.14299	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	367.2324
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40348	0.4
51.85591	0.4
55.01856	0.5
55.05512	3.3
55.17371	0.4
57.03416	2.6
57.07066	4.5
59.04984	0.6
60.04509	5.6
61.02912	1.9
62.01968	0.4
67.05490	12.7
69.03412	5.2
69.07053	37.9
70.07366	0.5
71.04978	3.3
71.05318	0.4
73.02888	0.8
79.05460	2.0
81.03390	0.9
81.07036	34.0
82.07365	1.8
83.04956	0.6
83.08591	8.0
84.08150	0.5
85.02886	10.0
85.06528	13.7
91.05492	0.7
92.05805	0.5
92.64402	0.5
93.07010	5.5
94.07362	0.9
95.04942	0.6
95.08582	100.0
96.08894	0.7
97.02856	2.5
97.06544	0.5
97.10184	0.6
99.04427	4.3
99.08072	0.9
99.50422	0.4
100.04759	0.7
101.06039	0.6
105.06998	1.0
107.08585	2.9
108.08948	0.8
109.06554	0.6
109.09388	0.9
109.10138	26.2
110.10459	2.3
110.68881	0.5
111.08109	0.7
113.05929	0.6
113.09599	0.8
121.10093	0.5
123.08007	0.9
123.11683	10.5
124.08382	0.5
124.12007	1.8
125.09634	0.7
125.13245	22.3
126.09998	0.7
127.03940	0.9
127.11148	0.6
133.10165	0.7
134.10425	0.6
141.09108	0.9
145.04953	1.0
147.08083	0.7
147.09140	13.3
151.11172	1.0
151.14798	16.0
152.11514	2.6
169.12183	3.9
169.15837	52.9
170.12512	3.8
171.13893	0.6
172.40002	0.4
187.09558	0.6
187.13295	0.8
187.16969	3.2
188.09920	1.1
191.08163	1.0
197.10983	0.4
205.08360	0.6
223.05887	0.8
281.14926	0.9
324.15546	4.7
349.27698	0.8
366.28665	0.6
367.13599	0.6
367.28894	2.0
368.14587	2.9
392.16602	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.161
Annotation	Unknow
Peak:m/z	Relative Intensity
54.26824	0.7
54.52143	0.7
55.01853	3.8
55.05500	1.4
56.96547	0.9
57.03422	6.0
57.07069	0.9
57.35283	0.7
61.02897	1.2
62.02425	1.5
65.90141	0.8
67.05472	5.3
69.03413	15.2
69.07053	7.0
71.01324	1.9
71.04971	10.4
73.02883	1.2
81.03366	3.9
81.07033	11.7
82.07359	1.2
83.08620	1.6
85.02888	4.9
85.06529	2.2
91.05457	2.0
93.06981	1.4
95.08587	17.6
97.02866	2.0
97.10122	0.9
99.04411	5.2
99.08057	1.8
105.06996	1.0
108.44065	0.8
109.10120	10.4
110.10445	1.3
113.09598	1.1
117.05474	1.5
118.06525	1.1
120.08011	0.9
123.11665	3.3
124.11969	1.5
127.11132	1.3
128.66115	0.9
134.62903	0.9
142.07744	0.8
145.07581	14.6
147.04353	1.0
147.09161	10.6
151.11148	1.2
151.14767	2.2
152.11424	1.1
157.07536	1.0
159.09138	16.9
160.09932	1.3
169.12221	1.8
169.15848	4.0
170.12547	3.4
173.07123	1.2
175.08661	2.0
185.10710	6.3
187.08676	1.9
187.16928	2.0
190.07985	1.1
190.09723	36.9
191.08113	100.0
197.10721	3.5
199.08638	1.4
199.12389	1.9
205.08528	1.2
205.17908	1.2
213.10226	2.0
215.11768	2.0
225.10165	5.9
243.11192	1.7
253.09798	1.2
263.13766	3.2
271.10641	5.5
289.11707	9.2
306.14426	17.1
307.12845	4.3
324.15549	6.7
367.16071	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	367.196
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68542	0.8
53.00317	0.9
53.03942	1.7
54.81209	0.8
55.01859	1.1
55.05484	1.9
58.85912	0.8
59.04996	1.8
61.02911	1.8
64.84484	0.8
67.05487	4.8
68.37829	0.8
69.03417	7.9
69.07052	18.4
71.04975	34.7
73.06530	1.1
79.05470	10.4
81.03401	3.7
81.07037	100.0
83.04983	5.5
85.02422	1.2
85.02892	21.9
89.06006	1.4
92.09329	1.2
93.07015	5.2
95.04964	1.7
95.08582	3.7
97.02865	4.8
97.06497	6.7
97.10107	1.0
99.04385	1.0
99.08066	6.0
105.07045	1.4
107.08576	12.7
109.02923	1.2
109.06498	4.1
109.10144	24.0
111.08066	4.0
111.11701	10.9
113.03847	1.0
120.67651	0.8
121.10099	2.3
123.11684	24.3
127.03883	2.0
127.07510	1.3
130.34715	1.0
133.10109	2.2
139.11148	14.5
141.12717	1.0
142.93459	0.9
150.99670	1.0
151.11153	24.5
157.12212	14.2
161.81564	0.9
169.12210	24.9
182.87878	0.9
187.13255	71.3
205.14294	1.5
247.27917	0.9
331.99377	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	367.0549
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81828	0.7
56.96556	50.0
57.03424	0.9
61.02901	1.1
69.03401	1.7
71.01304	0.7
74.06052	0.8
74.97579	1.6
78.60559	0.7
84.96013	14.6
85.02868	0.8
87.90897	0.7
97.02863	0.9
97.96754	0.8
98.97559	62.6
98.98376	6.7
100.99113	1.9
102.97039	1.2
110.97548	4.9
112.99102	6.2
115.16806	0.7
116.98595	39.1
119.00166	1.4
119.01901	1.6
120.06505	0.8
121.01660	1.2
122.27121	0.7
124.99052	3.5
126.97015	1.2
128.98573	11.0
129.32941	0.8
131.00150	15.8
131.01822	1.0
134.99625	13.2
140.98553	1.1
143.00140	9.6
144.98030	5.8
145.03551	1.0
146.03439	0.9
146.99631	6.0
147.03241	1.1
149.01201	31.5
150.95807	0.6
150.96916	5.7
155.00102	1.1
158.99590	5.6
159.03183	1.6
161.01184	13.6
162.01828	2.9
162.99147	7.8
167.02231	13.4
168.98044	37.0
170.99619	5.0
173.01224	10.3
173.02753	1.2
175.04454	1.3
177.00693	4.8
177.04285	4.3
179.02245	1.4
181.00194	1.5
186.99115	100.0
189.00726	9.4
191.02249	15.8
193.00040	0.8
201.00677	8.9
203.02122	0.9
205.00177	44.2
205.03639	1.3
207.01773	1.4
210.00531	0.9
214.98538	0.9
219.01741	37.8
225.00594	3.6
237.02788	19.8
241.93135	1.0
243.01714	10.0
243.44272	0.9
253.00159	7.5
253.92886	1.0
258.97281	1.3
259.97565	1.2
261.02811	1.7
271.01193	15.6
271.92859	0.8
274.91660	1.1
279.03882	2.7
289.02173	10.0
306.99734	1.2
307.03275	27.8
325.04385	11.4
343.05472	3.8
367.05389	31.5
367.09128	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.3212
Annotation	Unknow
Peak:m/z	Relative Intensity
51.28987	1.3
55.05493	1.5
57.07071	58.2
63.22103	1.4
63.97225	1.4
69.07043	1.8
71.08618	32.2
73.06539	2.6
77.25443	1.5
85.10166	20.4
87.04520	1.6
88.53693	1.5
89.06019	100.0
107.07066	4.0
133.08578	26.3
144.75522	1.7
151.09677	3.1
164.53004	1.9
167.10652	1.7
177.11307	3.5
195.12283	31.9
196.34238	2.0
197.22832	1.7
259.83295	1.8
349.29507	42.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.6
55.05495	2.2
57.03414	2.2
57.07063	3.1
59.04992	0.8
61.02901	2.0
66.78813	0.4
67.05493	7.8
68.24294	0.5
69.03403	4.6
69.07053	12.7
71.04960	3.6
71.33887	0.4
73.02876	0.6
73.63744	0.4
79.05469	2.0
81.03396	0.7
81.07033	26.6
83.04976	0.9
83.08591	2.6
85.02418	0.6
85.02893	10.7
85.06521	7.2
91.05476	0.7
92.09276	0.6
93.07007	3.3
95.04938	4.9
95.08578	6.1
97.02885	3.3
99.04408	0.6
105.06965	1.1
107.08564	4.7
107.60021	0.5
109.02831	0.8
109.06487	2.1
109.10137	19.2
113.05951	0.8
121.10132	1.0
123.11677	100.0
125.09589	0.6
127.03859	1.1
127.07567	0.5
127.11162	8.3
129.05388	0.6
132.76988	0.5
133.10150	2.0
145.04942	0.6
151.11153	20.9
153.09068	0.5
169.12196	57.0
180.08693	0.4
187.13255	8.3
187.14775	0.6
249.37296	0.5
261.54282	0.6
269.47461	0.5
313.16437	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60614	1.2
53.03931	2.7
54.48077	1.4
55.01844	1.9
55.05499	6.9
57.03412	8.0
57.07064	2.9
59.04994	15.8
60.04527	1.4
61.02900	6.6
67.05183	1.6
67.05487	20.6
69.03405	13.5
69.07045	9.6
71.04968	34.8
73.02895	1.6
79.05460	9.5
81.03400	1.7
81.07033	72.0
83.08587	2.6
85.02888	39.9
85.06538	3.7
86.09686	2.1
87.04444	3.5
89.93581	1.6
91.05452	16.6
93.07011	58.6
94.07352	3.8
95.04935	7.5
95.08588	23.3
97.02850	10.2
97.06535	1.9
99.08070	3.1
105.07009	24.5
107.07862	3.4
107.08575	82.8
109.06498	14.9
109.10134	37.9
111.08056	14.1
113.05995	3.5
121.10102	15.3
122.10421	2.5
123.08025	2.4
123.10791	2.6
123.11673	50.5
127.03864	3.3
127.07506	3.6
133.10101	43.1
145.04973	2.6
151.11153	71.6
169.12198	100.0
187.13260	11.6
204.05745	2.0
225.73416	1.5
227.94023	1.5
262.49799	1.5
309.18533	1.5
331.17407	6.9
362.75342	1.9
384.68408	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76674	1.4
53.03921	2.3
55.01847	3.5
55.05492	11.7
57.03419	3.8
57.07055	3.2
60.49447	1.4
67.05486	7.7
69.03410	15.6
69.07056	15.2
71.04954	6.6
73.02879	1.9
79.05457	2.9
81.03387	10.5
81.07043	26.7
83.04959	1.7
83.08593	11.1
85.02879	35.6
87.00804	9.9
93.07011	3.8
95.08571	9.3
97.02863	10.0
99.04449	2.8
105.01843	4.3
105.07018	3.6
107.08551	7.2
109.02855	7.5
109.06507	2.8
109.10130	19.4
110.07163	2.3
110.35765	1.9
111.08034	2.2
114.36852	2.0
119.08557	1.6
120.08084	2.4
123.11675	100.0
125.09560	3.3
127.03942	12.7
133.10068	9.5
141.12733	15.6
145.04898	3.6
151.11162	24.1
169.06462	8.0
169.12206	63.6
187.13219	11.3
191.08090	15.3
232.84177	1.7
246.88861	1.7
307.12708	3.8
350.13351	8.3
367.13416	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	366.2119
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	2.4
54.81747	2.0
55.01857	2.7
55.05488	10.8
55.79535	1.6
57.03419	8.9
57.07063	6.8
59.04976	11.7
60.04510	20.0
61.02904	9.0
67.05486	28.0
69.03412	16.4
69.07056	15.2
71.04974	38.3
73.02908	2.1
75.42042	1.6
78.07909	1.6
79.05473	15.0
81.03399	7.3
81.07033	76.8
82.07378	1.9
83.04957	6.6
85.02887	54.7
85.06534	2.8
87.04454	2.0
91.05460	22.1
93.07012	37.7
95.04949	15.1
95.08578	30.5
97.02868	13.3
97.06470	2.1
99.04429	7.3
99.08073	2.1
105.07012	26.4
107.08575	97.8
109.02863	2.4
109.06492	15.9
109.10135	61.0
111.08057	3.4
113.05994	8.4
121.10117	3.9
123.08019	4.1
123.11675	69.7
127.03892	6.9
127.07589	1.9
127.11192	4.3
133.10100	50.6
142.62886	2.1
145.04938	8.1
150.49634	1.7
151.11163	81.0
169.08614	3.9
169.12198	100.0
176.98521	1.9
187.09616	2.8
187.13268	10.8
216.76018	2.0
225.13354	1.7
248.61604	2.0
274.31372	1.9
325.03662	3.1
331.17459	8.4
348.26849	2.4
366.28375	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	366.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	6.2
54.77054	0.6
55.01867	7.9
55.05500	3.5
56.01171	0.6
57.03432	7.2
57.07061	1.2
61.02914	7.0
67.05509	1.1
68.99765	3.1
69.03415	42.5
69.07069	1.1
71.01346	0.8
71.04978	6.3
71.30203	0.7
73.02887	7.8
79.05467	0.8
81.03399	26.8
81.07032	3.1
83.01306	1.2
83.08620	0.8
85.02889	100.0
87.00813	51.8
87.01363	1.0
87.04428	1.1
91.03937	0.8
92.08657	0.8
92.63614	0.7
95.08596	1.6
97.02866	30.1
99.04442	14.1
105.01850	42.8
105.07021	0.8
107.08559	0.9
108.04460	1.7
109.02858	24.6
109.06419	0.9
109.10123	1.2
111.04414	0.9
111.08076	1.4
116.45892	0.7
117.01823	1.9
123.11701	2.9
125.09595	1.9
126.05513	1.0
127.03893	50.6
129.01837	2.7
145.04929	18.2
147.02843	3.0
151.07440	0.9
159.02838	12.9
169.12225	5.0
189.03845	3.6
209.11632	1.2
213.03978	1.3
229.70261	0.7
231.04924	13.7
240.97711	0.7
249.06036	3.8
269.13531	1.1
295.11774	3.6
301.18033	1.4
302.18146	1.2
313.12595	0.8
325.92838	0.8
345.16724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	366.1754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.72459	0.6
53.03940	6.3
53.31103	0.6
55.01872	8.6
55.05502	1.8
57.03422	8.6
57.07075	0.8
59.04980	0.7
60.04510	3.3
61.02915	11.5
61.97267	0.7
64.34758	0.7
67.05491	3.9
68.99780	1.2
69.03415	45.3
69.07043	4.3
69.71464	0.7
71.04980	8.8
73.02892	6.6
79.05461	1.4
79.20111	0.8
81.03396	26.4
81.07033	13.5
82.07359	1.1
83.04980	0.8
83.08593	5.2
85.02890	100.0
85.06506	1.6
87.00810	53.6
87.04455	1.3
93.07029	6.1
94.07352	1.0
95.08583	6.4
97.02863	29.2
97.06521	1.3
99.04419	13.3
103.03904	1.3
105.01846	54.8
105.07027	3.9
107.08574	6.7
108.04479	1.2
109.02864	28.1
109.03606	1.2
109.06563	1.1
109.10133	10.8
113.05980	1.2
117.01801	3.6
121.10113	8.2
122.10460	5.5
123.10857	1.7
123.11684	10.0
124.66074	0.8
125.09631	1.2
127.03887	55.5
129.01839	1.9
133.10085	3.7
145.04929	19.4
147.02914	1.4
151.11134	6.0
157.90871	0.9
159.02856	6.7
169.08575	5.5
169.12268	9.3
185.91299	0.8
187.13297	5.3
189.03900	1.9
213.03963	1.2
231.04973	16.0
237.02678	0.9
249.05980	8.5
310.93930	0.8
353.29211	0.7
366.28513	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.1916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	0.6
55.05505	0.8
56.05022	4.2
56.96546	2.5
57.03423	5.7
58.06570	1.4
61.02912	0.9
69.03410	1.6
70.06563	1.6
71.05003	1.3
72.08134	10.9
73.02898	1.4
74.03384	0.5
74.06055	39.4
75.04462	7.2
79.01875	0.6
79.05476	0.8
81.03389	1.0
83.04961	1.1
84.04487	1.1
84.08120	8.1
85.02887	10.6
86.06071	1.8
86.09688	100.0
88.03970	1.3
90.94826	0.6
91.05402	0.8
93.07011	1.1
97.02874	2.9
98.06036	2.4
98.97547	0.9
101.07116	1.0
104.05758	0.9
107.04936	42.7
108.05267	19.3
109.02888	0.9
114.09145	3.9
116.03427	3.0
116.07069	4.0
117.04309	0.7
118.08638	8.7
121.06478	8.3
122.06840	4.5
123.04373	0.7
125.02208	0.7
127.03924	1.0
128.10768	1.1
132.10172	41.8
139.03889	3.0
140.04205	3.1
143.00125	0.8
145.04997	0.8
149.05965	10.6
150.06306	8.3
154.65755	0.6
160.09686	10.9
161.01215	0.8
167.03401	1.0
167.06973	3.0
168.07446	1.2
173.12811	4.7
185.04460	1.3
186.04755	0.8
188.09114	6.3
201.12364	1.5
216.08636	8.6
219.13354	22.7
228.17819	0.6
234.09676	1.0
261.14423	2.8
308.24432	0.6
312.66211	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.105
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81548	0.7
56.76637	0.7
58.38525	0.7
61.65761	0.8
63.67577	0.8
77.21594	1.0
85.02842	1.1
138.15041	1.1
185.04198	21.0
185.80972	1.1
203.03329	2.0
203.05232	58.8
297.03171	1.0
365.10812	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.155
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.7
55.01865	0.9
56.96563	0.9
57.03426	1.4
59.06099	3.5
59.87078	0.6
61.02894	0.8
63.26526	0.6
64.33276	0.6
67.05502	0.9
69.03413	6.3
69.07053	48.2
70.06577	11.1
71.04968	0.7
79.05465	1.0
81.03401	3.2
81.07050	1.2
83.04955	1.2
85.02886	18.4
91.05454	1.5
93.07014	4.4
95.04951	5.6
97.02853	7.6
97.06499	4.6
98.97565	3.2
99.04421	1.2
103.03860	0.7
103.05444	1.0
105.07026	0.9
107.04933	0.9
107.08565	1.1
109.02888	3.2
112.07587	16.9
116.07057	2.5
116.98598	2.9
121.06480	43.0
122.06823	0.9
123.04396	4.1
127.03902	3.5
129.10233	0.7
134.99632	0.9
135.04532	0.6
137.05995	2.5
138.09119	8.3
140.07036	61.9
141.05482	2.1
145.04993	0.8
146.99602	1.0
147.51921	0.6
151.03920	1.4
158.08104	9.4
158.99661	0.9
164.15004	0.6
167.07007	2.7
167.10718	0.6
168.06512	100.0
169.06778	0.8
177.00629	1.1
182.08078	11.7
186.07559	23.1
195.34837	0.6
206.08060	0.7
210.07626	11.7
219.01743	1.3
228.08601	2.5
234.07582	1.0
237.02782	4.6
276.08652	0.8
305.09177	1.1
312.10800	1.0
318.61307	0.7
323.10123	2.5
330.11829	1.4
348.12808	8.3
348.61584	0.7
365.11188	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	365.0841
Annotation	Unknow
Peak:m/z	Relative Intensity
51.17782	0.6
52.08992	0.6
55.01858	0.7
55.05508	1.4
56.05029	0.7
57.03423	1.0
60.04518	6.1
67.05483	3.5
69.03396	0.8
69.07047	1.5
71.04976	3.9
79.05459	4.3
81.03411	0.7
81.07037	6.6
83.04967	0.8
83.08609	1.1
85.02889	2.7
85.06535	1.0
86.09696	0.8
89.04163	0.7
91.05465	1.0
92.08668	0.9
93.07033	7.7
94.07387	0.8
95.08586	4.2
97.02875	1.0
97.06508	0.7
99.04407	0.9
105.07032	1.2
107.08588	9.2
108.08896	1.0
109.06487	1.7
109.10142	2.8
111.08079	0.7
121.10113	10.9
122.10428	2.7
123.08006	0.9
123.11694	1.0
125.09588	0.9
131.08473	1.5
139.11142	0.9
149.09596	4.3
149.13242	0.9
150.85451	0.9
167.10637	7.6
168.11009	1.3
171.00497	0.9
185.04182	6.4
185.11716	4.5
185.15327	1.4
185.74971	0.7
186.12059	1.4
203.03119	100.0
203.16367	0.7
280.72269	0.8
364.26801	1.3
365.08356	48.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.3204
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76284	3.7
55.05499	24.2
60.94226	3.9
67.05479	33.1
69.07050	40.2
71.27649	4.8
72.47578	4.0
79.05496	15.0
79.96949	4.7
81.07024	43.7
83.08601	19.3
89.06021	6.4
91.05444	51.4
93.07016	96.1
95.08579	65.3
97.10107	5.3
105.07021	56.7
107.08566	100.0
109.10133	73.0
119.08562	65.7
121.10152	34.2
123.11681	7.8
123.81417	4.8
131.08539	10.5
133.10071	36.7
135.11642	47.4
136.42935	4.4
139.60144	5.0
145.10107	24.1
147.11662	35.5
149.13229	6.8
159.11674	30.1
161.13239	20.6
163.14795	5.8
171.11662	5.3
173.13223	34.7
185.13261	5.8
187.14778	9.6
189.16316	7.8
199.14812	6.0
201.16306	6.0
215.17990	9.1
229.19449	26.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.2689
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.3
55.33450	0.5
56.05018	3.2
57.03419	4.1
57.07059	0.5
58.02934	1.0
59.04990	0.7
60.04515	100.0
61.02863	0.5
67.05490	11.5
69.03402	1.5
69.07050	3.3
70.06578	0.9
71.04959	2.4
72.04490	2.5
74.06049	1.2
79.05476	12.2
80.04968	0.7
81.03418	1.3
81.07032	14.5
82.06560	1.3
83.04970	6.7
84.04500	0.7
85.02874	3.5
85.06533	2.6
91.05448	8.2
93.07023	13.2
94.06538	1.3
95.04919	1.4
95.08587	12.2
96.08083	1.0
97.06527	1.5
99.04448	0.7
105.07019	7.6
107.04895	0.6
107.08572	14.6
109.06498	4.9
109.10131	2.8
111.08054	0.8
117.06979	3.0
119.08568	5.8
121.10132	12.0
123.04432	1.4
123.08020	9.7
125.05941	0.7
125.09609	1.5
129.06961	1.0
131.08543	5.9
131.43401	0.7
133.10092	3.2
135.11644	0.8
137.09567	0.8
139.11119	0.9
141.06964	0.7
145.10095	1.5
147.11644	1.1
149.09608	3.8
156.41264	0.6
159.11690	0.7
167.10628	17.8
178.80835	0.7
185.11642	6.9
209.00504	0.6
210.28777	0.7
217.10648	0.8
269.82913	0.6
274.21582	0.7
292.22675	1.4
305.86523	0.6
310.23691	3.6
328.24835	5.4
346.25784	19.3
364.26859	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	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.52990	0.4
50.89571	0.5
51.05729	0.5
52.43133	0.4
52.68687	0.4
53.03934	1.1
55.05497	2.4
57.03428	7.7
57.07050	0.6
59.04987	0.5
60.04511	1.2
61.02910	2.0
67.05482	1.9
68.67458	0.4
69.03421	4.7
71.04981	0.6
73.02873	0.6
75.04458	11.2
79.05470	9.0
81.03410	1.8
81.07031	9.9
81.61476	0.4
83.04959	0.6
85.02394	0.5
85.02887	13.6
87.04435	1.0
91.05457	10.5
92.08709	1.0
93.07020	100.0
94.07386	0.5
95.04931	3.0
95.08568	6.0
97.02866	3.7
97.06497	1.0
105.07006	7.6
107.08584	5.6
109.02850	1.0
109.10133	1.2
111.08062	13.2
113.05935	0.5
117.86146	0.4
119.08559	0.9
121.06460	1.7
121.10117	86.0
122.10491	0.5
122.47124	0.4
123.08018	3.0
123.11681	3.4
125.05952	2.1
127.03922	1.2
131.08517	1.1
133.34673	0.5
139.11159	10.9
145.04942	2.3
149.09590	8.4
153.04243	0.6
167.10638	24.4
167.40489	0.5
170.33223	0.5
180.08672	0.6
185.11711	0.7
364.27264	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82068	0.5
52.99412	0.7
53.03939	1.0
53.21265	0.5
55.01845	0.5
55.05497	0.8
57.03415	1.5
57.07058	1.4
59.04978	2.7
61.02905	1.1
67.05480	3.9
69.03406	2.8
73.02901	1.3
76.56069	0.6
79.05465	11.7
81.03354	0.6
81.07031	33.2
85.02879	7.4
91.05454	3.1
92.08570	0.6
93.07016	26.4
95.04921	0.6
95.08582	16.6
97.02884	2.6
97.06500	4.0
105.07016	8.0
107.04928	0.7
107.08560	6.1
109.06456	1.1
111.08045	1.2
119.08525	1.2
121.06467	1.5
121.10117	100.0
123.08034	3.1
123.11675	17.9
125.05956	7.1
133.07567	1.0
139.11148	13.5
145.04858	0.8
148.64734	0.6
149.09615	8.4
157.18634	0.7
167.09308	1.3
167.10635	29.1
185.11668	2.8
242.98297	0.7
255.16890	0.7
297.10953	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	3.3
55.05497	4.8
56.05018	1.4
57.03416	5.6
59.04970	1.4
60.04513	55.4
61.02904	1.5
66.04120	0.8
66.81445	0.7
67.05489	17.6
69.03403	5.8
69.07069	6.6
71.04967	6.0
72.04477	1.1
73.02888	1.4
79.05476	18.6
81.03381	2.0
81.07036	64.9
83.04985	6.2
83.08618	0.9
83.35517	0.9
85.02886	21.0
85.06527	1.3
87.04445	1.0
91.03963	0.8
91.05460	11.8
93.07015	26.2
94.06525	1.1
95.04936	4.9
95.08582	87.8
96.34748	1.0
97.02857	4.7
97.06528	6.3
99.04434	10.5
99.08057	10.2
101.06007	1.2
105.07014	18.0
107.04922	4.8
107.08575	35.4
109.06503	10.6
109.10110	5.1
109.10772	1.0
111.04422	11.0
111.08098	1.6
119.08545	4.3
121.06453	1.9
121.10117	28.1
123.08039	58.5
123.11684	3.9
125.05922	3.6
125.09588	5.6
127.03862	1.8
130.43681	0.9
131.08536	4.8
131.14276	1.0
133.10095	4.0
139.11154	15.7
141.09079	100.0
145.10063	1.2
147.11713	1.3
149.09598	17.8
167.10640	32.7
184.59793	0.9
185.11688	22.2
245.86127	0.8
275.29169	1.0
292.22507	1.1
292.55389	1.0
301.68558	1.0
302.17474	1.8
310.23608	3.5
328.24707	4.9
333.24109	0.9
346.25800	14.9
364.26837	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.269
Annotation	Broussonetine S
Peak:m/z	Relative Intensity
51.17450	0.4
53.03947	0.7
55.01866	2.1
55.05504	2.5
56.05039	1.9
57.03445	1.6
58.86423	0.4
59.05001	0.6
60.04515	100.0
67.05497	9.4
68.05032	0.6
69.03414	2.2
69.07054	2.8
70.06593	1.0
71.05000	1.1
72.04491	4.5
74.06054	1.0
77.76591	0.4
79.05479	11.9
80.05014	0.6
81.03418	1.7
81.07039	17.8
82.06577	1.7
83.04985	0.9
83.08596	0.6
84.08189	0.5
85.02894	5.8
85.06545	2.0
91.05463	10.9
93.05779	0.5
93.07031	11.2
94.06555	2.3
95.04967	2.7
95.08593	10.4
95.09190	0.5
96.08140	0.5
97.02884	1.0
97.06517	2.6
99.08074	3.2
103.05425	0.4
105.07005	7.9
107.04969	1.1
107.08579	9.2
108.08098	0.5
109.06466	3.1
109.10168	2.1
110.06087	0.9
111.04477	0.7
111.08091	1.1
112.07662	0.7
116.07089	0.7
117.07026	2.4
119.08568	4.5
120.08109	0.8
121.06461	0.5
121.10133	7.8
123.04441	0.8
123.08070	2.2
125.06014	1.8
125.09613	0.6
128.06235	0.6
129.07028	0.9
131.08577	6.8
133.10150	2.6
135.11708	0.9
136.11229	0.5
137.09616	0.5
139.07541	2.6
139.11183	3.0
141.07091	0.4
143.08614	1.0
145.10138	2.6
147.11659	0.9
149.09616	3.6
149.16637	0.5
153.26738	0.5
159.11748	2.0
167.07054	2.6
167.10652	7.6
175.15050	0.6
185.08118	0.9
185.11787	3.6
185.13184	0.5
192.02856	0.5
215.18170	0.5
229.69656	0.4
274.21643	0.7
292.19647	0.6
292.22784	1.8
310.23792	2.5
328.24774	7.2
346.25836	52.4
364.26932	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48834	0.3
51.86285	0.3
53.03943	0.6
54.63514	0.4
57.03411	1.7
59.04995	0.7
60.04506	2.1
61.02906	2.3
63.29115	0.4
65.72591	0.4
67.05484	6.0
69.03426	3.7
69.07060	0.4
73.02876	1.0
75.02487	0.4
76.56051	0.4
79.05460	2.7
81.03383	0.9
81.07041	19.8
83.04955	0.4
85.02893	15.4
86.99854	0.4
87.04453	8.5
91.03902	0.7
91.05460	0.8
93.07020	5.5
95.08584	11.5
97.02885	3.9
101.06010	3.9
107.04947	0.8
107.08566	2.7
109.02850	0.8
110.86024	0.4
111.04428	2.5
112.56331	0.3
116.95552	0.4
121.10118	12.7
123.08058	0.6
123.11685	0.8
123.14003	0.4
125.05982	4.3
125.09564	0.4
127.03918	2.3
131.08492	0.4
139.11171	9.9
141.17148	0.4
145.04936	2.0
148.66985	0.5
149.09610	5.3
167.10645	100.0
180.08601	3.3
185.11681	1.8
202.14302	4.0
251.10948	0.4
314.62930	0.4
364.19910	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1598
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25583	0.2
53.03933	0.4
55.01859	1.4
57.03420	1.1
61.02903	1.0
64.33191	0.2
65.08595	0.2
69.03411	2.2
71.04958	0.3
72.08157	0.2
73.02888	0.4
76.03058	0.3
79.05452	0.3
81.03387	1.0
83.92682	0.2
85.02891	8.4
85.03388	0.3
86.09689	1.5
91.05467	1.6
93.03377	0.3
93.07020	3.5
95.04945	1.6
97.02869	2.4
99.04433	0.5
103.05454	4.4
107.04936	100.0
109.02855	0.5
111.04427	0.4
119.04878	0.3
121.06481	19.3
123.04439	2.1
124.56475	0.2
127.03894	1.7
131.04922	1.4
133.06377	0.3
139.03879	34.7
145.04959	1.4
149.05956	35.4
149.95903	0.2
165.05507	0.2
167.03365	5.7
167.06998	10.1
185.04434	7.5
281.10107	0.5
363.12439	0.5
364.12820	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.2
55.01855	0.2
57.03409	0.2
61.02907	0.4
63.74504	0.2
69.03423	1.3
73.02917	0.2
78.04690	2.1
79.05460	0.4
81.03380	0.4
81.07019	0.3
85.02883	4.2
91.03903	0.3
95.04939	0.3
96.05701	0.2
97.02860	1.0
105.07007	0.8
106.04142	1.4
107.04890	0.3
109.02860	0.4
121.06540	0.2
122.09617	0.2
123.04395	5.7
124.05199	2.3
125.05989	0.2
127.03879	0.8
134.03560	0.3
137.05943	0.6
140.04688	1.5
145.04971	0.4
149.05888	0.2
151.03867	1.4
152.04662	1.9
155.06973	0.6
167.06995	100.0
170.05743	0.7
170.26071	0.2
180.08611	0.3
185.08017	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	364.1234
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29576	0.3
52.55584	0.2
53.03938	5.3
55.01860	0.7
57.03425	0.4
57.06561	0.3
59.04996	0.4
61.02908	0.7
66.42600	0.2
67.05476	0.6
69.03413	2.4
69.07053	0.4
70.06622	0.3
71.04982	0.6
73.02873	0.3
79.05468	1.9
81.03394	100.0
81.07021	2.2
83.04971	0.4
85.02881	6.6
87.00801	0.7
87.04459	0.3
91.05450	1.5
93.07011	4.1
95.04946	1.4
95.08554	0.6
97.02853	2.2
97.06499	1.3
98.06018	0.3
99.04434	0.5
105.07001	1.4
107.04929	0.5
107.08570	4.4
108.04417	0.4
109.02870	1.4
109.06512	1.2
109.10110	0.4
111.08076	0.3
121.06464	2.3
121.10113	6.7
123.04416	1.6
123.08030	1.3
123.11700	0.5
125.05997	1.2
125.09633	0.4
125.46303	0.3
127.03893	1.4
131.08527	0.5
137.05975	1.0
137.09630	0.3
138.06282	0.5
139.07550	1.1
139.11162	1.2
145.04910	0.5
149.05981	0.5
149.09596	5.4
152.04745	0.3
156.10139	0.3
167.07002	6.9
167.10640	11.7
177.05435	0.4
179.01738	0.4
185.08078	2.4
185.11667	0.5
185.18248	0.3
187.24303	0.3
189.03806	0.3
227.09039	0.6
311.07489	0.3
326.65097	0.3
329.08237	0.4
332.62930	0.3
386.87268	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3102
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.0
55.05510	13.8
57.03414	0.8
57.07069	8.4
67.05492	29.8
69.07053	31.4
70.06584	0.8
71.04984	1.3
73.06528	1.1
79.05479	15.8
81.07038	100.0
83.08599	12.3
85.06530	23.9
89.10020	1.0
91.05436	4.2
93.07025	33.3
95.04942	3.3
95.08585	82.1
97.06509	3.5
97.10164	9.9
99.08083	17.4
105.07009	10.0
107.08573	36.0
109.10142	48.1
111.08064	4.2
111.11702	4.5
113.09627	3.8
119.08546	8.7
121.10114	27.5
123.11679	29.8
125.09605	4.0
125.13272	1.3
133.10095	6.0
135.11671	17.6
137.13222	9.1
139.11172	1.1
147.11673	5.5
149.13235	29.5
151.14787	2.0
153.12698	1.1
161.13246	4.5
163.14795	16.5
167.06982	5.2
177.16362	5.4
189.16400	1.9
191.17894	1.7
195.17491	1.1
203.17952	2.0
209.18950	1.7
214.04968	1.2
217.19524	4.6
221.19025	1.6
229.07344	3.2
235.20638	3.3
247.24284	1.4
258.11234	2.1
273.25598	10.5
291.26764	22.7
302.17584	6.3
309.27753	10.0
327.28806	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	363.2865
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	0.6
62.74883	0.5
76.56113	0.4
76.83196	0.4
91.05412	0.6
121.10101	0.7
151.07458	0.7
163.16837	0.5
223.47583	0.6
335.91589	0.6
363.28616	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	363.3099
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01874	1.4
55.05508	11.4
55.82344	1.1
57.03418	1.1
57.07063	8.2
59.84552	1.1
66.29131	1.1
67.05492	26.1
69.07050	35.7
70.08248	1.0
79.05474	15.4
81.07034	100.0
83.08602	14.6
85.02892	1.4
85.06523	10.2
91.05444	2.9
92.08679	1.7
93.07023	29.9
95.08578	85.3
97.06511	5.8
97.10144	11.1
99.08072	6.9
105.06994	6.0
107.04925	1.3
107.08570	39.2
109.06543	1.8
109.09380	2.4
109.10132	66.1
111.08054	8.5
111.11687	6.3
113.09633	2.1
119.08558	8.3
121.10104	30.3
123.11672	42.9
123.98264	1.2
125.09586	4.5
133.10117	5.6
135.11685	21.7
137.05928	1.3
137.13228	13.9
139.11205	4.8
146.53688	1.1
147.11665	7.4
149.13231	31.9
151.14816	2.5
153.12740	5.6
159.11591	1.8
161.13272	4.9
163.14793	14.1
165.16365	2.3
167.06995	6.0
167.14198	1.6
177.16335	10.6
179.17935	4.6
181.15794	1.3
189.16316	2.4
191.17938	7.9
203.17854	1.6
205.19441	8.3
209.18861	1.8
217.19409	2.7
247.24208	4.8
273.25693	12.5
291.26736	29.7
309.27881	13.5
363.21417	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	363.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24284	2.1
51.40549	2.1
55.05503	57.6
55.37082	1.9
57.03422	9.4
57.07058	15.3
60.00701	2.0
61.15435	2.1
67.05491	60.9
69.03400	4.7
69.07050	90.0
71.04974	5.8
71.05458	2.2
71.08611	2.8
77.18683	2.4
79.05475	28.7
81.07033	100.0
83.04947	4.6
83.08607	45.7
84.42378	2.4
85.06532	12.5
91.05441	20.9
93.07023	57.3
95.04929	4.2
95.08012	4.7
95.08583	91.4
97.06499	11.4
97.10148	27.6
99.08102	7.6
105.07014	16.0
107.04936	40.5
107.08581	39.6
109.06490	4.2
109.10133	48.2
111.08069	12.7
111.11691	9.1
119.08520	17.7
119.77719	2.5
121.06489	2.6
121.10128	33.3
123.11682	20.1
125.09545	2.5
131.04932	2.7
133.10107	19.7
135.11647	23.9
137.13216	5.5
139.11195	4.2
147.11668	14.2
149.13228	10.8
153.12723	3.2
161.13229	9.9
163.03915	3.0
167.07021	33.5
171.13751	3.3
175.14819	3.8
176.10661	2.9
189.05576	2.7
217.19498	11.8
235.20578	11.4
253.21829	3.9
291.26855	3.6
302.17459	5.1
309.24448	3.1
309.27789	10.6
327.25232	89.4
363.21454	3.1
364.20996	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	362.3258
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43304	0.8
55.05491	1.6
56.05031	8.0
57.07063	10.5
58.06594	11.1
60.04499	4.8
67.05473	1.3
69.07037	1.5
70.06553	1.3
71.08615	5.6
72.08131	4.4
74.06056	7.0
81.07023	2.0
85.10163	1.5
86.06063	8.9
88.07613	63.5
95.08561	2.3
100.07575	1.4
102.64857	1.0
104.07056	4.8
129.29414	1.1
132.10175	17.2
162.11214	2.1
166.10722	3.9
221.19446	1.0
226.05757	1.1
270.27872	43.5
314.30457	17.2
327.25540	1.2
344.31946	1.3
362.32559	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.326
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00308	0.3
55.05504	2.9
55.23711	0.3
56.05006	0.6
57.07066	9.0
58.06580	0.5
58.48610	0.3
61.78619	0.3
67.05491	5.7
68.05024	0.4
69.03435	0.4
69.07053	2.0
70.06197	0.7
70.06578	22.3
71.04978	17.2
71.08617	5.3
72.08134	0.7
79.05485	2.9
81.07042	8.0
81.81516	0.3
83.08598	2.2
84.08131	3.4
85.10166	1.7
86.09686	0.9
88.07612	20.5
89.06020	0.5
91.05456	1.7
93.07024	4.8
95.04974	0.6
95.08591	3.9
97.06513	2.0
97.10159	2.5
99.08066	0.7
102.09152	2.6
105.06991	2.1
106.08628	0.5
107.04968	1.0
107.08585	1.9
109.10149	0.9
111.08121	0.5
114.09146	13.4
117.06989	0.6
118.08638	2.1
119.00594	0.4
119.08511	1.5
121.10107	0.6
125.09615	1.5
130.08643	0.7
131.08559	1.6
132.10178	39.2
133.10091	1.8
135.07982	0.5
135.11646	0.9
136.82892	0.4
149.13235	1.6
151.11160	1.5
159.11690	1.5
161.13280	0.5
162.11258	2.1
162.18285	0.4
173.11760	0.6
174.44714	0.4
176.12782	6.0
177.12746	0.7
189.11179	0.8
194.13841	8.5
195.13800	0.8
215.60179	0.4
227.16353	9.2
242.24809	0.8
256.26337	9.7
274.27264	5.0
277.21588	1.6
300.28876	0.7
305.93271	0.4
318.29898	4.0
326.25522	0.5
362.32574	100.0
363.33118	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.3048
Annotation	Unknow
Peak:m/z	Relative Intensity
50.79688	7.0
50.85922	5.1
53.50091	6.0
55.05500	27.8
61.77800	5.9
61.82730	6.5
63.90168	6.7
67.05481	28.5
69.03410	43.3
69.07060	26.9
71.04981	6.9
79.05477	51.5
80.16508	6.2
81.07039	100.0
91.05445	28.1
93.07025	97.7
95.04964	7.2
95.05606	7.0
95.08578	89.8
97.06496	15.6
105.07028	54.9
107.08565	92.2
109.06496	12.3
109.10138	43.8
113.09653	8.1
119.08545	51.2
121.10101	65.4
123.11682	12.0
125.09573	13.3
131.08557	27.9
133.10098	55.9
135.11656	34.2
139.11180	11.0
145.10078	26.2
147.11644	25.5
149.13252	9.4
151.11220	11.3
159.11690	11.0
161.13193	24.3
163.14763	28.1
173.13203	10.2
179.74823	6.4
187.14662	9.0
189.16327	10.9
251.15384	7.8
263.01514	7.3
263.04590	7.2
323.63440	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	362.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55502	0.2
53.03944	0.7
55.01851	0.5
55.05490	0.3
56.96553	0.6
57.03422	0.7
60.04502	0.6
61.02909	0.7
67.05481	0.5
67.90090	0.3
69.03411	2.3
71.04985	0.5
73.02942	0.3
74.09657	0.4
79.05463	1.4
81.03394	2.0
81.07015	0.5
83.01323	0.7
83.04949	0.4
84.96002	0.4
85.02417	0.5
85.02892	7.7
86.09680	0.4
91.05456	2.0
93.07022	0.5
93.79604	0.3
95.04931	1.3
95.08569	0.5
97.02883	2.1
99.04464	0.3
105.07002	0.3
107.04934	4.9
107.08525	0.5
107.09812	0.4
109.02847	0.7
109.10185	2.1
116.98578	0.4
118.07231	0.3
119.08607	2.0
121.06471	1.6
123.04404	4.3
123.08075	0.5
124.05196	0.6
125.05944	2.2
127.03884	0.5
133.02887	0.4
135.04463	0.5
135.05504	1.2
135.08002	0.4
137.05957	100.0
137.09482	2.4
138.06265	0.3
139.07512	0.6
145.02751	0.3
145.04970	0.4
147.04405	0.7
147.08028	2.6
151.03894	5.3
163.03835	2.7
164.04189	1.3
165.04288	0.5
165.05594	2.7
165.09077	31.0
169.04921	6.6
181.04987	0.5
183.06497	20.1
183.10014	2.7
189.09093	0.4
200.09070	0.3
208.03705	0.4
210.55281	0.3
225.04257	0.4
226.04672	0.3
235.02065	0.3
256.02051	0.4
311.66937	0.3
361.18304	1.1
362.18579	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	362.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
54.81209	0.7
55.01856	1.4
55.05503	0.7
56.68277	0.6
57.03418	4.7
59.12679	0.6
60.48113	0.6
61.02902	5.1
67.05460	1.0
69.03413	14.5
69.07051	1.4
71.04968	3.2
72.08126	0.8
72.92245	0.6
73.02888	3.3
74.09694	16.5
79.05464	1.0
81.03391	5.9
81.07043	1.1
83.04965	1.2
84.08144	1.4
85.02885	30.1
86.03221	1.8
86.09699	5.4
87.04434	3.5
88.03973	0.9
88.11224	1.2
91.05458	3.9
93.07019	1.5
94.06541	7.6
95.04922	4.4
96.04453	1.1
97.02857	11.0
97.06516	0.9
98.03168	1.1
99.04411	1.2
101.05986	8.5
102.06318	3.0
107.04914	1.3
108.08094	9.7
109.02885	3.0
109.06511	1.8
110.06035	5.7
111.08066	0.9
112.03924	1.5
112.07602	1.5
118.06461	1.0
119.04917	1.9
120.08034	1.1
121.02787	1.4
121.06463	1.5
122.06005	35.7
123.04409	13.0
124.07568	0.9
126.09168	0.9
127.03885	9.0
128.69162	0.9
135.04384	3.7
136.07549	32.9
137.05948	9.4
138.05441	1.9
138.06360	1.1
138.09090	1.5
139.07518	1.5
140.07042	41.9
145.02785	0.9
145.04935	1.2
147.04385	4.2
151.03894	8.3
154.04977	1.0
154.08604	28.6
163.03923	4.0
164.07028	8.0
165.05460	6.8
169.04921	1.6
175.07471	0.8
177.05444	3.1
182.08080	30.5
183.02838	6.6
183.06487	4.4
200.09138	100.0
200.10602	4.1
205.06689	0.8
219.06573	0.9
225.69135	0.9
236.07689	0.9
296.53168	0.8
344.13266	1.2
362.14874	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	28.8
57.03422	5.7
57.07061	10.1
67.05491	47.4
69.07047	38.1
71.04964	5.3
72.08136	9.9
73.08442	5.4
79.01842	9.4
79.05466	29.3
81.07033	96.8
83.04964	8.6
83.08604	17.3
85.02898	10.8
85.06517	21.5
91.05455	24.1
93.07023	63.0
95.08588	100.0
97.06506	6.3
99.08049	8.7
105.06991	41.0
107.08572	54.4
109.06505	5.1
109.10149	58.6
111.08024	5.7
118.42159	4.0
119.08578	41.8
121.10136	41.0
123.11671	18.8
131.08551	7.2
133.10083	32.0
135.11684	31.9
145.10095	19.4
147.11684	29.0
149.13235	18.7
153.01820	46.3
159.11687	5.5
161.13191	8.4
163.14737	5.3
167.06956	5.0
167.21596	4.5
173.13185	7.7
175.14717	5.8
176.52115	4.9
189.16350	8.1
201.16338	4.6
289.25229	18.7
307.26398	7.3
325.29462	5.2
377.01526	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	361.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
50.90271	3.1
53.03930	4.3
54.04815	2.5
55.01859	17.7
55.05503	21.0
57.03424	27.6
61.02890	4.0
65.03934	3.1
67.05492	31.2
69.03413	23.7
69.07044	20.4
70.06565	2.8
71.04971	16.0
71.55050	2.8
76.55654	3.6
79.05466	45.1
81.03395	4.6
81.07035	56.5
83.04967	5.6
83.08609	14.5
85.02885	49.4
85.06520	14.4
86.09683	4.4
91.05452	50.9
93.07021	53.8
94.57040	3.8
95.04927	16.6
95.08591	29.8
97.02872	14.3
99.08070	4.0
103.05396	27.9
105.07017	39.9
107.04952	55.6
107.08570	42.3
109.02837	3.8
109.06455	10.5
109.10128	21.6
111.08049	6.3
115.05413	5.4
115.34154	3.3
117.06991	5.4
119.04933	17.3
119.08553	6.2
120.05759	3.8
121.06467	35.2
121.10138	27.2
123.04383	13.8
123.08087	5.2
123.11668	7.1
124.05210	5.2
125.05989	4.6
125.09614	5.3
127.03873	6.6
128.06198	18.3
129.06961	46.9
131.04912	20.7
131.08545	18.5
133.06490	5.5
135.08022	17.5
135.11670	15.7
137.05937	24.0
145.06453	6.4
145.10069	4.5
146.07257	4.5
146.47392	3.4
147.04343	9.4
147.07939	3.5
148.05193	4.1
149.05948	13.0
150.06653	3.8
151.03848	6.9
151.07472	26.1
152.04642	3.6
152.06065	4.9
153.05418	17.8
153.06953	3.2
157.06468	31.3
161.05939	47.3
161.09569	13.9
163.07471	30.0
163.11108	5.5
163.14774	53.4
165.05537	5.4
165.06946	21.8
165.09119	13.0
166.06282	16.2
167.07019	92.2
167.08516	14.0
174.06706	22.7
175.07509	12.3
177.06960	5.0
177.09015	7.0
178.07687	3.7
179.08485	4.1
181.06458	6.2
181.08554	100.0
181.12234	7.4
181.15807	12.3
182.07260	5.7
183.08005	5.9
189.09070	65.8
193.06564	10.3
193.10265	4.2
194.07288	4.9
195.08035	21.0
196.08952	3.4
197.09549	17.9
199.13286	4.9
199.16975	25.4
207.08037	6.9
207.10106	12.1
208.08778	6.1
209.05846	5.3
209.09467	4.2
210.06743	6.0
211.07477	12.7
212.08249	3.0
213.09035	4.0
219.08122	4.0
221.05875	4.5
222.06688	7.4
223.07497	13.6
223.11032	6.1
225.05244	3.4
225.08981	27.6
226.06250	3.4
227.07019	12.7
236.08194	4.3
237.09015	6.6
239.06920	11.6
239.10625	4.1
240.07733	13.3
241.08527	6.5
243.10002	4.2
247.07483	3.7
251.07150	3.3
251.10536	4.7
253.08507	20.6
255.06412	3.8
255.10098	4.6
257.11572	22.3
262.53540	3.1
269.08008	5.0
279.10266	4.0
283.09586	25.1
283.13245	13.1
285.07840	6.0
285.11154	37.5
296.10367	4.1
311.12436	5.3
315.12186	19.8
317.13718	18.8
343.15289	6.8
352.36298	3.3
361.18362	22.5
372.77881	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	361.149
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.9
55.01856	2.0
55.05487	0.4
56.96547	0.6
57.03424	0.5
61.02907	0.9
67.05490	1.7
67.73830	0.3
69.03416	2.8
72.66426	0.4
73.02849	0.5
79.05470	13.2
81.03374	0.9
81.07041	3.2
85.02896	5.5
91.05450	6.5
93.07023	23.5
95.04973	3.5
95.08576	0.8
97.02869	1.9
97.06499	1.9
99.04356	0.4
101.60732	0.4
103.05455	0.9
105.04469	0.4
105.07069	0.4
107.04935	1.9
107.95401	0.3
109.02864	0.6
109.06480	0.7
109.75169	0.4
109.89884	0.4
111.04443	0.9
111.08036	1.5
121.06485	30.1
123.04387	0.8
123.08049	9.9
127.03873	1.5
135.60471	0.4
135.91994	0.6
137.05965	3.4
139.07516	23.0
149.05948	10.7
155.60439	0.4
167.07005	100.0
185.07996	0.7
199.09630	18.9
273.02713	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1488
Annotation	Semperoside
Peak:m/z	Relative Intensity
53.03925	1.1
55.01858	2.7
55.05492	0.5
55.26662	0.4
56.96550	0.6
61.02903	0.8
65.68182	0.4
67.05478	2.4
69.03411	4.0
73.02903	0.6
79.05467	10.9
81.03391	2.9
81.07039	4.0
83.04944	0.4
83.51057	0.5
85.02891	7.1
91.05464	6.9
93.07026	21.1
95.04964	5.5
95.08602	0.9
97.02838	1.9
97.06499	1.8
103.05424	2.0
105.03375	0.6
105.07023	0.6
107.04914	1.8
111.04402	0.6
111.08061	2.3
117.07049	0.5
121.06480	30.9
123.04426	1.8
123.08052	9.8
127.03870	1.8
135.42435	0.5
137.05954	26.6
139.07521	20.2
140.04671	1.9
145.06491	0.5
145.26332	0.5
149.05957	9.2
151.07515	0.9
153.05400	0.5
155.06999	0.7
167.07002	100.0
179.52834	0.4
181.04863	0.6
181.08597	1.7
185.08095	1.9
199.05893	1.6
199.09610	18.3
289.81506	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1464
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04486	0.6
63.33213	0.6
76.55695	0.6
85.02889	0.7
93.07010	0.7
107.08559	0.7
165.05444	7.3
183.06606	0.6
199.09439	1.0
241.27258	0.7
271.57327	0.6
286.10373	0.6
294.11609	0.6
301.12314	2.2
361.14618	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	361.1453
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08123	0.8
52.80165	0.7
53.03932	4.1
55.01859	6.1
55.05500	9.0
56.05037	0.8
56.96544	1.0
57.03423	8.0
59.04977	4.4
61.02906	9.6
67.49193	0.7
69.03413	20.3
69.04535	1.1
70.06251	0.7
70.06570	7.2
71.04971	19.8
72.05766	1.9
73.02895	4.9
73.06544	1.2
80.46098	0.8
81.03397	4.9
83.04964	23.3
84.04483	1.2
84.14175	0.7
85.02888	71.8
86.09686	4.1
87.04445	6.2
88.05218	1.0
91.03934	3.7
92.09309	1.2
97.02863	16.9
99.04414	4.7
101.05997	100.0
109.02840	7.3
117.05445	1.8
119.07022	2.0
120.08090	1.1
123.15137	0.8
125.07077	3.4
127.03889	15.1
128.04218	1.1
128.11967	0.8
137.05910	1.9
137.08047	4.1
140.06993	1.0
145.04935	13.8
149.80264	0.8
153.10194	3.8
163.05965	3.4
165.06970	1.3
168.49518	0.9
181.04868	6.0
181.09674	5.1
182.06569	5.5
183.07974	2.2
197.36276	1.0
199.05939	1.3
199.10773	8.2
200.09187	1.8
207.07954	6.5
235.07401	7.3
239.06967	4.3
252.10098	5.1
280.09760	1.2
297.12149	1.3
298.10580	1.5
343.12671	1.2
361.14746	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	361.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.28375	1.5
55.05490	4.9
57.03433	2.5
60.04504	3.6
66.47366	2.0
67.05470	3.0
69.03403	8.6
71.04963	3.6
72.08172	1.9
79.05464	4.0
80.04984	2.7
81.07022	3.5
83.04965	14.2
85.02883	13.1
86.09675	9.4
91.05450	12.0
93.07004	11.2
95.04930	2.4
95.08572	3.9
97.02842	4.1
104.00689	2.2
105.06970	7.3
107.04934	2.5
107.08572	3.8
108.04463	3.8
109.06499	2.5
111.04399	4.9
117.07013	4.3
119.04916	15.0
119.08578	8.2
120.05240	9.6
121.10134	8.8
129.06927	3.7
132.08119	1.9
135.08005	2.4
137.05894	2.3
137.09677	2.3
144.08037	2.6
145.10106	9.5
156.07991	3.0
158.09561	2.6
163.11145	13.3
164.11508	4.5
165.09175	3.6
167.07195	2.9
168.08064	2.2
170.05923	11.4
170.09610	21.3
171.06752	4.4
171.10341	4.5
172.11240	3.3
174.05350	4.9
174.06752	3.5
182.09601	15.3
183.06776	2.9
184.07535	11.7
185.08330	8.8
186.09088	3.3
190.08667	17.4
196.07579	3.1
197.08397	2.1
198.05426	3.4
198.09140	27.8
199.06380	15.9
199.08566	20.5
199.09917	21.7
200.07028	14.6
200.10657	23.9
209.06960	2.6
209.10725	4.7
210.09105	17.6
212.07011	31.5
212.10747	2.6
213.07797	42.8
214.08656	3.2
217.09665	9.3
220.07233	2.5
222.07718	15.5
226.08688	4.3
227.09364	44.3
227.11699	9.6
228.10124	84.5
236.09435	3.4
237.10156	24.7
238.08601	13.2
240.08711	21.6
241.07227	8.3
245.09134	5.1
250.07378	3.4
254.10446	3.3
255.08594	3.1
255.11224	84.9
256.09601	88.3
257.09174	2.9
265.09647	50.7
266.10410	4.0
267.11209	12.2
268.09766	2.3
273.12402	3.3
283.10632	24.8
301.11710	63.8
311.10147	33.8
315.13312	3.3
329.11224	100.0
361.13928	18.7
364.72177	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	361.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99605	2.1
60.04507	5.4
67.05473	4.3
69.03419	5.8
69.07048	3.7
70.35091	2.2
71.05015	3.5
79.05454	12.4
80.04967	3.0
81.03395	3.1
81.07031	14.9
83.04958	5.8
84.08051	3.5
85.02876	13.3
85.06517	5.1
86.09679	18.0
91.05440	13.4
93.07020	22.3
95.04929	5.6
95.08553	5.1
99.08057	6.2
105.06976	14.5
107.04951	5.2
107.08558	14.8
108.04443	4.8
108.08927	2.6
109.06491	5.3
117.06973	5.3
119.04887	11.0
119.08567	10.4
120.05240	4.7
121.10112	13.4
123.08016	5.0
131.04828	4.1
131.08463	2.5
135.04327	2.6
135.11662	6.0
137.05908	11.1
145.04932	2.9
145.10081	17.8
146.10434	4.3
151.07526	3.6
157.08846	3.7
158.38815	2.7
161.05916	3.6
161.88295	2.8
163.07489	6.2
163.11133	30.7
164.11467	19.2
165.09093	2.9
170.05983	5.6
170.09595	20.9
171.06743	5.3
171.10382	4.9
172.11182	9.7
181.12196	10.0
182.09608	14.4
184.07507	13.6
185.08284	10.7
190.08575	12.1
196.07558	3.7
198.05545	3.1
198.09163	24.9
198.14906	3.1
199.06239	16.2
199.08553	19.5
199.10204	28.0
200.07028	12.3
200.10730	23.7
201.10190	3.7
202.08543	4.9
210.09087	19.1
212.07010	20.8
213.07828	38.7
214.08440	3.8
217.09714	5.2
222.07768	4.5
223.06364	3.7
226.08698	3.2
227.09361	41.6
227.11732	16.9
228.10139	82.9
237.10164	16.4
238.08499	11.4
240.08775	19.4
241.07224	4.9
245.08810	2.9
255.11224	86.9
256.09589	100.0
259.96387	2.9
265.09659	46.1
267.11200	13.5
268.09561	5.9
283.10742	31.2
301.11761	67.7
311.10071	31.5
315.13297	5.7
329.11203	92.9
361.09576	2.5
361.13873	26.1
361.18137	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	361.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47857	2.0
55.01863	3.1
55.05504	4.6
57.03424	3.5
59.23899	1.9
60.04506	10.8
67.05487	11.0
69.03414	5.2
69.07057	4.8
71.04970	3.0
78.92348	2.2
79.05470	10.4
80.04977	3.5
81.03379	4.2
81.07039	14.2
83.04964	11.9
83.65936	2.1
85.02888	12.2
85.06532	5.3
86.09691	34.9
87.10060	3.0
88.54984	2.5
91.05456	13.5
93.07025	21.8
95.04950	3.0
95.08568	11.9
96.02533	2.6
96.70483	2.3
97.02897	3.6
97.06532	4.3
99.08083	5.0
103.05451	2.5
105.06996	10.3
107.04960	3.0
107.08562	12.4
108.04425	3.2
109.06508	4.0
109.10168	2.8
117.07021	4.7
119.04955	9.7
119.08534	10.2
121.06469	3.6
121.10099	11.5
123.08044	3.0
127.03856	2.7
129.06985	2.7
135.08018	5.6
135.11671	4.7
137.05997	12.0
144.08083	3.2
145.06390	3.4
145.10043	16.2
146.10461	3.5
147.04454	2.7
151.07529	4.5
157.08832	3.6
160.07576	8.6
161.05975	9.3
162.09113	2.3
163.07550	11.7
163.11183	20.8
164.07875	4.1
164.11531	5.1
165.09035	5.3
165.37895	2.5
167.07195	4.5
170.05984	3.3
170.09593	23.4
171.06786	3.9
172.07547	4.0
172.11113	4.8
174.05525	3.8
181.08696	3.7
181.12250	12.5
182.09610	12.7
184.07556	9.7
185.08363	9.8
186.09206	4.6
190.08618	11.5
193.08449	2.4
198.05437	3.3
198.09157	27.6
199.06287	11.8
199.08604	21.1
199.09938	22.9
200.07123	4.3
200.10728	23.9
201.10257	3.8
202.08720	4.7
206.82483	2.3
208.10083	3.3
210.09126	20.0
211.06088	2.3
212.07021	29.1
213.07794	37.4
214.08592	3.6
217.09689	13.5
222.07689	9.3
226.08727	3.3
227.09514	40.4
227.11667	6.7
228.10162	96.8
236.09439	4.8
237.10143	24.1
238.08617	13.7
240.08936	14.1
241.07265	5.4
245.09058	2.9
255.08678	5.3
255.11264	99.4
256.09637	100.0
265.09647	44.8
266.10492	5.3
267.11215	9.0
268.09698	3.8
273.12347	3.1
283.10696	29.8
284.08832	3.5
301.11795	61.7
311.10214	30.4
315.04904	5.4
329.07645	4.7
329.11285	85.1
329.15027	3.5
343.12622	3.0
361.14087	29.4
361.18396	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	361.1127
Annotation	Glucosyringic acid
Peak:m/z	Relative Intensity
53.03922	2.8
55.01856	0.7
56.06949	0.6
57.03417	1.0
58.48454	0.7
61.42253	0.6
63.57615	0.7
65.03928	1.0
67.05485	1.4
69.03409	4.0
72.08146	6.7
81.03384	0.7
81.07048	1.1
83.06063	0.7
83.22197	0.7
85.02898	6.4
86.09695	7.0
87.10033	0.8
91.05444	0.6
95.04945	25.2
97.02885	1.5
101.34180	0.7
105.04487	1.4
110.03640	0.7
111.04430	1.4
111.15142	0.7
121.02811	0.9
123.04412	12.9
125.02305	6.8
127.03947	0.9
135.04387	3.3
137.02289	1.0
137.05988	1.0
140.04657	100.0
145.04970	1.0
149.02338	0.8
151.03845	1.1
155.07007	24.8
166.02583	3.4
167.03345	1.3
173.08011	1.7
181.04919	22.2
184.03632	0.8
199.05986	27.1
203.04005	1.1
221.05026	4.7
244.18402	0.7
301.11206	1.6
317.11752	1.1
361.10718	3.7
361.14655	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	360.1643
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02375	0.2
53.03936	0.4
54.23281	0.2
55.01860	0.6
57.03424	1.0
60.04488	0.4
61.02908	1.4
61.40742	0.3
67.05508	0.3
68.71396	0.2
69.03407	3.2
70.06559	0.5
71.04967	0.5
73.02891	0.3
79.05462	0.3
80.73932	0.2
81.03392	1.4
85.02890	10.5
86.03236	0.3
91.05463	1.3
93.07025	0.3
95.04932	1.0
97.02870	3.4
99.04434	0.6
103.05434	3.9
105.07013	0.4
106.07359	0.3
107.04935	1.3
107.08579	3.0
108.08910	1.5
109.02853	1.3
109.06468	0.4
109.10159	0.4
109.31316	0.2
117.06985	1.9
119.04929	0.3
119.08566	0.3
123.04400	100.0
127.03870	1.6
131.04893	7.4
133.06558	0.4
133.10117	1.0
134.10399	0.6
135.04390	1.3
135.08026	2.8
135.11719	0.4
136.11948	0.3
137.05981	0.4
139.03870	0.4
145.04974	1.4
145.06450	3.4
147.04402	1.4
163.03893	0.6
163.07504	21.1
165.05466	0.9
165.09003	0.3
175.07474	0.6
180.08588	0.5
180.11015	0.6
181.08539	8.5
189.05510	0.4
191.06943	2.0
193.08603	0.3
197.11653	1.5
198.12070	1.7
208.09679	1.0
294.28302	0.2
343.11722	0.3
360.14044	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1646
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	0.4
55.01871	0.6
55.05498	0.3
56.96548	0.4
57.03416	1.6
60.04506	0.7
61.02914	2.0
67.82862	0.3
68.43871	0.3
69.03416	4.9
69.61020	0.2
70.06567	0.3
71.04973	0.5
71.62768	0.2
72.08150	0.3
74.75996	0.3
81.03403	2.2
85.02887	11.8
86.03199	0.4
86.09671	0.5
91.03921	0.4
91.05440	1.6
93.07020	0.7
95.04928	0.3
95.08575	0.6
97.02874	3.5
98.97568	0.5
99.18791	0.3
101.21069	0.3
103.05444	3.4
105.06990	1.3
107.04950	2.4
107.08582	3.2
108.08901	2.1
109.02850	0.7
109.06430	0.5
109.10104	0.6
115.05440	0.3
116.98554	0.3
117.07010	1.6
119.04910	0.5
119.08575	0.4
121.06503	1.1
121.10104	0.4
123.04401	100.0
124.04655	0.4
127.03893	2.5
131.04895	6.8
133.06519	1.1
133.10115	1.5
134.10428	0.7
135.04396	3.9
135.08031	3.7
135.11670	0.3
136.07529	1.1
137.05957	0.6
138.05464	0.7
139.03877	1.2
145.04913	2.1
145.06470	3.4
147.04381	1.6
149.05937	0.6
151.03888	0.3
161.09644	0.5
163.03827	0.6
163.07506	20.7
163.11125	0.4
165.05420	1.2
165.09079	0.5
175.07535	0.4
180.06432	0.3
180.10953	0.5
181.08554	11.4
190.08611	0.4
191.06967	3.1
197.11749	1.5
198.12044	2.6
208.09653	0.5
236.30022	0.3
248.01422	0.3
278.23773	0.3
360.14413	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	0.8
57.03417	1.6
59.08111	0.6
60.04494	0.7
65.88831	0.6
67.05489	0.7
68.99782	1.6
69.03398	1.2
70.06559	5.0
72.08102	0.7
79.05460	1.3
81.07049	2.8
83.01337	0.7
84.04420	0.6
85.02879	3.6
91.05453	3.8
93.07001	0.8
95.04932	4.6
95.08598	2.4
97.02872	1.0
103.05528	0.7
105.07001	2.9
107.04936	1.3
107.08534	1.1
109.06525	1.0
115.05454	1.0
117.06992	6.1
117.68228	0.7
119.04897	4.6
121.06480	6.6
123.04403	43.7
124.07594	3.1
127.03924	1.2
131.04942	0.7
135.03380	1.0
135.04385	19.4
135.08026	5.5
135.71732	0.7
136.07576	2.8
137.05978	2.6
145.06483	4.3
147.04390	20.2
149.05952	5.3
151.03867	3.0
154.88190	0.6
157.06470	0.9
161.05951	3.4
162.09030	0.6
163.03864	11.1
163.06076	0.8
163.07491	22.5
165.05421	9.1
167.07019	1.4
173.05937	11.2
175.07518	1.5
176.04729	0.8
179.06996	8.7
181.04922	1.1
187.07578	0.8
189.05516	1.1
190.08571	20.1
191.06990	100.0
198.11195	3.1
203.06976	4.2
207.06502	1.0
208.09645	73.5
221.07965	1.0
287.28604	0.7
325.10593	3.7
342.13406	2.7
343.11667	4.6
360.14319	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	360.1438
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	2.2
57.03419	3.8
59.97843	0.5
60.04504	2.2
62.13492	0.5
64.30299	0.4
65.71239	0.5
67.05489	0.8
67.07122	0.5
68.99766	2.0
69.03401	2.4
70.06577	5.3
72.82907	0.5
73.02901	1.0
79.05458	0.8
81.07024	2.5
83.01341	1.0
85.02897	5.1
86.09669	0.7
91.05457	4.1
93.07066	0.5
95.04937	2.5
95.08569	1.1
97.02877	0.7
105.06997	2.7
107.04935	3.5
107.08563	3.2
115.05424	1.0
117.06966	4.7
119.04945	3.9
121.06477	7.6
123.04398	42.9
127.03914	1.0
129.06923	0.8
132.96950	0.5
135.04391	3.5
135.08035	7.7
136.07536	3.8
137.05959	1.3
145.06471	7.1
147.04398	13.8
149.05956	5.3
151.03874	3.1
161.05966	3.5
163.03870	2.6
163.07503	24.9
165.05418	6.4
167.07037	1.1
173.05959	11.6
175.07526	2.4
179.06998	8.5
188.07088	0.8
189.05482	1.1
190.08583	19.6
191.06995	95.4
203.07007	3.5
203.15826	0.6
208.09653	100.0
220.09717	1.3
295.98987	0.6
325.10709	4.5
342.13202	2.3
343.11630	1.3
360.14301	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	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.5
55.01849	1.2
57.03422	1.8
60.04507	0.4
61.02926	2.7
67.05489	0.3
69.03417	6.1
72.08129	1.3
73.02886	0.6
79.05456	0.6
81.03402	2.1
81.07025	0.4
85.02891	16.9
86.09694	1.8
89.03883	3.7
91.05440	0.6
93.07046	0.4
96.71255	0.3
97.02875	6.3
99.04409	0.4
99.08037	1.2
101.52916	0.3
102.61330	0.3
103.61691	0.3
107.04952	2.1
109.02883	0.8
111.04420	0.4
117.03371	6.7
127.03898	3.7
135.03358	0.8
135.04393	19.6
137.05959	0.5
137.09480	0.4
139.03870	2.5
145.02829	15.0
145.04878	2.8
147.04388	0.6
159.64902	0.4
161.09622	0.4
163.03876	100.0
164.67015	0.4
165.05469	0.6
179.10591	2.9
180.08752	0.4
180.11011	0.8
181.04930	24.3
231.52589	0.4
302.90640	0.4
308.57318	0.3
359.16504	0.6
360.16821	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.8
53.55101	0.7
54.47107	0.6
55.01859	0.8
57.03419	1.5
60.04530	5.9
61.02901	3.0
66.27336	0.7
67.34752	0.7
68.65540	0.8
69.03419	7.6
70.06564	0.8
73.02866	0.9
75.46006	0.7
79.05478	1.2
81.03391	1.9
81.07037	1.4
84.55753	0.7
85.02892	20.0
85.11423	0.8
86.09697	1.6
87.04403	0.8
91.03855	0.8
91.05441	4.9
92.08681	1.0
93.07001	3.5
95.08571	0.9
97.02861	5.6
99.04451	0.8
105.07003	4.1
105.52081	0.8
107.07944	1.2
107.08591	14.0
108.08921	4.2
109.02878	1.4
109.06514	1.3
117.06975	3.4
119.04935	6.3
119.08523	3.7
121.02821	1.8
121.10138	1.9
127.03879	3.9
133.02838	3.0
133.10112	8.1
134.10461	1.6
135.04343	1.2
135.08028	1.2
145.05002	1.3
145.10039	1.8
149.02319	100.0
149.09650	1.5
151.11153	3.2
161.09508	0.8
162.09871	1.0
163.03873	68.1
163.07544	4.0
167.03363	0.8
167.10628	1.8
168.10934	0.8
179.10637	4.0
180.11017	1.1
181.04936	16.2
197.11748	14.3
198.12109	7.5
240.36018	0.9
346.64975	0.9
360.23593	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	360.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.5
54.81600	0.8
55.01862	4.8
55.05502	0.9
57.03437	6.8
59.04967	0.8
60.04512	1.1
61.02910	9.8
65.03912	1.1
69.03413	22.0
69.03761	1.7
70.06581	5.1
70.95451	0.8
71.04977	3.4
73.02908	3.5
76.56247	0.8
79.05505	1.1
81.03397	9.0
82.13607	0.8
85.02885	82.2
86.09697	9.1
87.04472	2.1
89.03909	2.2
90.58325	0.8
91.03938	3.8
91.05459	3.9
93.03387	4.3
97.02873	23.9
99.04421	3.8
99.08077	1.5
101.02343	2.0
103.05435	1.8
107.04940	7.6
109.02853	6.3
111.04418	23.6
111.05562	1.2
115.03969	1.0
116.07077	1.4
117.03352	6.4
117.07043	3.8
117.94350	1.0
119.04905	1.6
123.09196	0.9
125.07092	1.3
127.03892	15.1
131.04886	3.9
135.04405	38.4
137.05957	1.8
139.03882	43.9
139.04875	2.4
145.02858	14.5
145.04942	14.9
145.06503	2.2
147.04361	1.5
149.05997	1.2
152.10606	0.9
163.03864	100.0
163.07510	1.9
167.07056	4.2
169.47946	1.0
173.05902	0.9
177.05453	1.2
180.08636	5.0
180.70456	0.9
181.04910	52.6
195.11272	5.9
198.07623	2.0
198.38087	0.9
207.08133	1.0
223.07487	1.9
251.06848	1.1
324.15558	1.2
360.12509	1.4
360.17145	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.3262
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.5
54.81800	0.5
55.01852	0.6
55.05502	10.0
57.07066	0.8
67.05486	7.5
69.03404	0.7
69.07055	10.2
70.06573	0.4
70.40788	0.4
71.04984	0.8
72.08134	100.0
73.06543	0.5
79.05470	3.5
81.07035	9.3
81.32101	0.4
83.04959	1.0
83.08601	6.7
85.02867	0.8
85.06503	0.6
86.68057	0.4
89.10779	3.1
90.09164	3.2
91.05457	2.0
91.17786	0.4
93.07018	4.7
95.08579	11.3
97.02811	0.5
97.06494	1.1
97.10162	2.6
98.06005	2.0
105.06968	1.6
107.08569	3.2
109.10126	6.7
111.08094	0.5
119.08556	1.9
119.83315	0.4
121.10118	2.7
123.11673	0.9
125.09593	0.8
133.10104	2.2
135.11656	3.0
137.13205	0.5
145.10078	0.8
147.11667	0.6
161.13225	0.8
202.36194	0.5
291.75430	0.5
306.27805	4.8
324.28900	40.6
341.31540	29.8
341.34567	0.8
342.29941	2.7
359.32593	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	359.2575
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78951	2.4
53.03925	4.2
54.81812	2.7
55.01868	3.9
55.05501	31.5
57.03429	3.8
63.33075	2.8
67.05487	53.1
69.03407	25.8
69.07058	42.3
71.04980	19.1
75.71371	3.2
79.05471	51.5
81.03379	3.6
81.07041	84.3
83.04958	21.7
83.08604	7.9
85.02874	7.1
85.06524	12.8
91.05466	61.7
93.07017	71.3
95.04942	30.9
95.08587	76.1
97.06499	17.4
99.04434	22.0
99.08059	4.4
103.05460	6.4
105.07015	100.0
107.04943	6.7
107.08589	71.0
109.06519	31.2
109.10149	64.7
111.08067	4.8
115.05419	4.4
116.06165	3.2
117.06971	24.7
119.08556	79.2
121.06499	6.4
121.10121	33.8
123.08012	13.8
123.11685	5.5
125.00077	2.9
125.09613	6.5
128.06169	4.0
129.06937	13.1
130.07726	4.7
131.04941	4.3
131.08533	44.9
133.06503	4.1
133.10104	46.5
135.04440	8.0
135.08052	15.5
135.11650	12.5
137.05980	13.1
137.09590	8.2
137.13237	4.3
141.06978	6.0
142.07787	6.4
143.08540	29.3
145.10110	33.1
147.11668	42.2
149.09592	31.9
149.13235	5.1
151.11185	3.4
153.06950	3.9
155.08545	13.7
156.09285	7.6
157.10118	29.4
157.37358	3.4
158.12370	3.4
159.11684	20.9
161.09586	6.9
161.13239	4.6
162.89366	3.8
163.03886	18.4
163.11102	6.2
165.12785	7.4
167.08472	6.1
168.09373	4.2
169.10104	13.7
171.11685	22.8
173.13200	6.4
175.14781	6.7
179.08490	4.3
181.10094	5.6
183.11641	13.7
185.13255	4.7
189.12726	7.6
191.03268	23.9
197.13409	3.5
199.14716	3.7
207.13780	5.5
209.04454	37.3
209.13127	3.9
227.14240	3.8
265.19479	3.8
269.12469	6.1
315.37231	3.6
341.24420	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	359.258
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14089	2.7
52.81878	2.6
53.03931	3.5
55.05508	23.9
55.75103	2.8
57.03430	6.6
59.04987	3.5
67.05499	42.2
69.03418	14.8
69.07052	22.3
71.04981	20.0
76.56389	3.1
79.05491	35.8
79.43229	2.6
79.74098	2.9
81.03365	4.1
81.07041	70.6
83.04958	7.1
83.08599	6.3
85.02901	4.0
85.06529	13.8
87.74582	3.1
91.05461	52.3
93.07026	73.4
95.04949	32.9
95.08584	79.9
97.06518	14.4
99.04437	20.2
99.08121	3.1
99.48164	3.2
105.07019	100.0
107.04928	4.9
107.08585	79.9
109.06519	53.4
109.10137	43.5
117.06992	19.7
119.08566	71.0
121.06493	3.7
121.10115	29.1
123.08055	16.9
123.11708	5.8
125.09619	14.0
128.06239	4.0
129.06964	14.4
131.08534	44.9
133.10103	47.4
135.08043	16.2
135.11642	5.6
137.05943	4.1
141.06947	3.7
142.07779	7.2
143.08524	29.2
144.09312	3.7
145.10089	35.6
147.11688	32.3
149.09572	7.1
155.08562	8.3
156.09337	7.5
157.10077	23.0
159.11662	28.2
161.09644	4.1
161.13232	4.7
163.11150	6.0
169.10127	17.5
171.11710	19.0
173.13240	13.1
175.11140	6.4
175.14853	3.8
181.10046	4.5
181.12268	4.1
183.11716	6.4
185.13246	6.5
187.14856	4.7
189.34270	3.2
192.06506	4.0
193.15912	4.7
195.11732	3.9
197.13237	13.4
202.04788	5.1
207.11609	4.4
209.13258	5.7
211.14778	3.7
213.16313	4.0
232.59967	3.7
234.07458	6.3
265.19617	5.8
283.20563	5.5
285.10028	4.7
323.23685	5.8
336.00427	3.9
341.24817	15.3
359.25769	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	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.9
54.81912	0.9
55.01855	1.4
55.05506	1.5
57.03421	5.6
59.04972	1.1
61.02916	8.5
67.05500	1.1
69.03418	14.9
69.07067	1.5
71.04959	1.4
73.02892	2.1
79.05459	4.0
80.16263	0.7
80.43337	0.9
80.67516	0.9
81.03382	6.8
81.07037	3.8
85.02888	43.6
86.09687	6.5
87.04469	1.4
91.03957	0.8
91.05464	7.1
93.07027	15.1
95.04939	3.4
95.08606	3.8
97.02866	11.8
97.06493	1.5
99.04408	1.1
105.07006	19.3
107.08574	67.7
109.02854	4.7
109.04381	0.9
109.06499	4.1
109.10139	5.7
111.45026	0.8
114.37629	0.9
119.04870	3.2
119.08554	10.4
121.06459	3.8
121.10116	10.7
123.08037	1.2
123.11674	2.1
127.03881	5.3
131.08574	1.0
133.10103	38.0
137.06006	1.7
137.09587	3.4
138.09140	1.2
139.07501	1.1
145.04973	1.9
149.02324	6.6
149.09599	8.1
151.11145	14.2
161.09575	13.2
163.03888	4.9
167.10626	23.1
179.10634	29.0
179.12100	1.5
197.01256	1.1
197.05945	1.8
197.11697	100.0
200.03812	1.2
359.16748	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1694
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03920	1.1
55.01857	2.6
55.05500	0.7
55.87354	0.5
57.03429	4.0
59.04985	2.1
61.02911	5.3
67.05499	1.1
69.03072	0.8
69.03415	12.9
69.07046	0.7
71.04957	1.3
73.02879	1.1
79.05460	2.7
81.03397	7.0
81.07022	3.8
85.02889	42.6
87.04433	2.2
91.05479	6.8
92.09242	0.6
93.07014	12.2
95.04948	5.3
95.08590	1.3
97.02867	11.7
99.04414	0.9
105.07013	13.6
107.04950	0.6
107.08578	41.2
109.02860	4.3
109.06513	3.3
109.10120	3.5
113.77675	0.5
116.62624	0.6
117.06905	0.6
119.04926	1.2
119.08575	4.5
121.06467	4.0
123.04393	2.8
123.11672	2.3
127.03889	6.5
131.08493	1.0
133.06531	0.9
133.10103	47.3
135.11664	32.9
137.09584	2.7
143.08588	0.8
145.04939	3.5
151.11139	3.5
161.09584	21.4
179.10628	60.7
189.88341	0.6
197.11688	100.0
204.02377	0.6
333.31821	0.6
359.16605	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1697
Annotation	Grevilloside B
Peak:m/z	Relative Intensity
53.03941	0.5
54.66065	0.2
54.81609	0.3
55.01873	0.4
55.05503	0.4
57.03426	1.7
58.60122	0.2
61.02913	3.2
65.98118	0.3
67.05490	0.7
69.03416	6.5
69.07049	0.4
71.04978	0.5
73.02890	1.8
77.41132	0.2
79.05491	2.3
81.03395	1.8
81.07026	3.1
85.02888	18.3
86.09683	0.4
87.04430	0.5
91.03922	0.3
91.05456	5.2
92.08665	0.4
93.07023	10.8
94.93269	0.3
95.04952	0.6
95.08590	2.1
97.02864	3.7
97.06523	1.3
99.04413	1.3
105.07014	12.4
107.08576	60.8
108.09035	0.3
109.02864	1.6
109.06494	2.0
109.10132	3.3
117.07024	0.4
119.04926	1.3
119.08556	9.1
121.06471	2.0
121.10117	10.3
123.08054	1.7
123.11671	1.8
125.05950	0.4
125.09600	0.7
127.03896	1.9
129.47702	0.3
131.08560	1.3
133.06467	1.5
133.10106	36.8
134.07988	0.3
135.08020	0.3
135.11647	0.7
137.05940	1.4
137.09567	1.1
139.07523	2.7
140.79974	0.3
143.08511	1.5
145.04933	1.1
146.03085	0.3
149.09587	7.5
151.07506	2.0
151.11153	13.7
151.12344	0.6
161.05992	1.2
161.09592	10.8
161.99574	0.3
162.06273	1.2
165.61520	0.3
167.10640	19.1
177.51299	0.3
178.05740	0.6
179.10634	25.9
189.05569	0.3
197.11696	100.0
198.12047	0.5
236.57304	0.4
359.10617	0.5
359.16864	1.2
384.42499	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1696
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00309	0.6
53.03929	3.9
53.11559	0.7
55.01854	4.2
55.05492	1.7
56.96563	0.7
57.03429	6.5
59.04982	1.2
59.53926	0.8
61.02917	11.6
67.05481	5.8
68.51928	0.8
69.03066	1.2
69.03415	28.4
69.07050	0.9
69.11603	0.7
70.06562	1.7
71.04974	3.4
73.02892	3.6
76.97525	0.8
79.05447	3.4
81.03401	11.6
81.07050	7.3
83.01339	1.1
85.02891	63.6
86.09695	1.3
87.04465	3.0
91.03931	3.0
91.05453	10.7
93.07031	11.9
95.04938	3.4
95.08599	6.3
97.02878	18.9
97.06481	0.9
99.04418	4.9
103.05437	1.4
105.07014	15.6
107.04897	0.8
107.08575	100.0
109.02866	8.4
109.06507	8.9
109.10139	18.3
117.07005	1.2
119.04912	1.0
119.08572	7.8
119.93421	0.7
121.06491	4.6
121.10104	1.3
123.04405	27.4
123.11707	1.2
123.28395	0.8
125.05981	1.0
127.03897	11.4
131.04930	4.0
131.08514	1.4
133.06522	6.9
133.10103	49.9
134.06789	5.1
135.04402	1.4
135.08069	1.0
135.11676	12.7
137.05978	7.3
137.09590	10.8
145.04929	7.9
146.07233	1.3
151.11176	6.5
161.05920	4.0
161.09578	14.0
162.06284	4.3
163.07529	4.0
165.05443	34.3
165.06830	1.3
179.07039	1.5
179.10635	29.0
180.07330	0.9
181.08446	1.5
197.11700	92.3
209.15329	1.1
243.70354	0.7
300.90979	0.8
359.12289	1.3
359.16571	10.6
359.20499	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1698
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	3.4
55.01870	1.4
55.05490	0.7
57.03431	7.1
59.04985	1.3
61.02913	12.2
67.05488	3.0
69.03067	1.2
69.03416	22.9
70.06561	2.8
71.00083	0.8
71.04975	2.7
73.02889	3.3
79.05473	2.7
81.03401	11.8
81.07030	2.7
85.02887	58.5
87.04437	3.6
91.03929	2.5
91.05458	11.1
93.07012	10.6
95.04962	1.2
95.08580	4.7
97.02869	18.3
99.04427	3.8
99.08041	0.8
105.07004	14.0
107.04965	0.9
107.08576	100.0
109.02844	5.7
109.06506	4.1
109.10138	14.6
112.11826	0.6
119.08542	4.0
121.06472	3.0
123.04473	0.7
123.11646	1.4
127.03896	9.8
133.10103	48.7
135.11682	13.4
137.05974	1.3
137.09602	11.7
145.02757	0.7
145.04953	7.9
151.11172	6.5
161.09596	13.1
162.06314	0.6
163.03873	3.3
164.97423	0.7
179.10625	24.8
197.11694	89.7
259.08484	0.7
359.16714	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	359.1332
Annotation	Grevilloside E
Peak:m/z	Relative Intensity
53.65840	0.4
55.01851	2.2
57.03425	1.1
57.25047	0.4
61.02905	0.8
65.03906	0.7
67.05486	0.7
69.03399	2.3
73.02898	18.3
81.03410	2.1
85.02891	4.8
91.05457	2.2
92.08537	0.8
93.95331	0.5
95.04929	0.8
97.02908	1.1
108.02082	0.5
110.03623	1.9
111.04384	0.8
113.05996	0.7
119.04871	1.0
122.19130	0.5
125.05971	18.7
130.14713	0.6
135.55702	0.5
137.05919	0.9
141.05453	3.5
149.05942	1.0
151.03886	100.0
151.04906	4.1
151.07520	2.6
179.07002	22.7
197.08060	44.6
278.25497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
50.09007	0.3
50.47724	0.3
53.03944	0.5
55.01844	0.5
55.05496	0.7
57.03414	0.4
67.05484	0.9
69.03423	0.5
69.07036	1.4
76.86131	0.4
79.05487	2.9
81.07027	2.4
85.06506	0.4
91.05469	2.9
93.07024	2.8
95.04938	2.3
95.08565	2.8
95.93142	0.4
97.06493	0.5
99.04427	1.7
101.55170	0.3
105.07023	2.7
107.04936	100.0
107.08626	2.9
109.06486	0.6
109.10138	1.6
117.06989	0.5
119.08552	2.1
121.06483	0.7
121.10076	0.8
131.04913	0.5
131.08578	0.9
133.10146	0.8
135.08051	0.6
135.11742	0.5
145.10127	0.7
147.11592	1.4
149.09601	0.5
152.86739	0.4
157.10091	0.4
171.11690	0.5
179.08542	0.4
199.07570	1.7
208.96426	0.5
225.09019	0.7
235.07549	0.5
251.07088	0.5
253.08516	18.9
265.08591	1.6
316.65417	0.5
359.12695	15.3
359.25626	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.3675
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77742	0.3
54.81217	0.4
57.06813	0.6
57.07066	10.5
57.57602	0.3
57.97958	0.4
58.06585	0.7
70.06573	16.3
71.08607	5.0
77.54516	0.3
77.99635	0.4
85.10155	1.6
88.07610	21.1
102.09164	4.7
106.08654	9.1
110.18709	0.4
165.89081	0.3
171.98146	0.4
211.75714	0.4
213.87392	0.4
250.89310	1.6
314.34030	0.5
340.35635	9.2
356.94257	0.4
358.36716	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	359.1273
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58432	0.1
50.68744	0.1
53.03924	0.5
55.01852	0.1
68.01357	0.1
69.07053	0.2
77.03880	0.2
79.05466	1.4
79.73616	0.1
93.07039	0.2
95.04913	1.1
95.08597	0.2
101.42206	0.1
105.04488	0.3
105.07017	0.2
107.04933	100.0
108.05270	0.2
118.39574	0.1
131.04886	1.0
144.05658	0.2
145.10097	0.1
179.08614	0.2
181.06528	0.2
195.08093	0.2
199.07530	1.5
207.07990	0.5
207.33929	0.1
210.06834	0.2
219.08095	0.2
223.07590	0.2
225.09109	0.7
235.07610	0.3
247.07552	0.7
251.07059	0.7
252.07623	0.2
253.08527	18.3
265.08554	1.3
352.56021	0.2
359.12686	13.1
359.25644	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.2069
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05485	1.6
57.03431	2.0
61.02906	5.9
69.03413	9.5
69.07050	1.4
70.06588	2.1
71.04990	1.5
72.08134	6.6
73.02894	1.4
73.06538	93.7
79.05466	1.9
81.03408	2.0
81.07039	1.4
85.02885	37.3
86.09702	12.6
89.03890	1.5
89.06013	63.1
91.05458	1.6
91.07616	1.7
97.02871	10.8
99.04410	1.7
107.04962	5.1
109.02888	4.3
115.07558	2.1
117.03343	1.9
117.09107	58.3
119.04973	1.4
127.03880	4.3
133.08582	21.4
134.99734	1.2
135.04381	6.8
137.05937	8.4
138.06277	6.1
139.03972	1.8
142.06618	1.2
145.02855	5.1
145.04881	1.9
147.04388	6.7
161.05960	1.5
163.03859	30.4
179.03360	2.2
179.12743	100.0
189.12352	2.4
196.06052	2.9
301.92899	1.4
358.11655	1.3
358.15302	10.8
359.16614	1.7
379.79193	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03959	0.6
54.01870	0.6
55.01847	0.8
55.05491	4.5
57.03419	11.0
59.04979	0.9
61.02908	3.6
67.65825	0.6
69.03413	9.1
71.04972	47.0
73.02879	1.4
75.04460	4.0
81.03403	1.4
83.04956	6.6
85.02884	100.0
87.04438	3.6
91.03928	0.9
92.08733	1.1
97.02864	6.1
99.04443	1.2
100.21432	0.8
101.05991	2.9
109.02863	3.0
111.04433	4.8
115.03925	1.1
123.06800	2.8
125.78373	0.7
127.03869	4.2
129.05449	21.2
133.04980	1.4
145.04961	5.2
147.06491	3.8
149.87152	0.7
166.08450	0.8
172.47626	0.7
175.13025	0.7
196.09605	8.0
273.09567	0.8
275.96698	0.7
309.11734	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	358.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81886	0.5
55.01859	1.1
56.96541	0.7
61.02909	1.2
65.81838	0.5
69.03403	2.7
69.98124	0.6
70.06552	1.3
72.08102	0.8
73.02869	0.7
73.13503	0.6
78.12485	0.6
79.05469	0.6
81.03377	1.0
85.02891	9.2
85.80170	0.6
91.05462	6.2
92.09261	1.9
93.06971	0.6
95.04977	1.2
97.02831	1.5
103.05436	6.1
105.07013	7.8
107.08559	1.1
109.02892	1.0
115.05428	11.9
117.06994	74.9
120.08128	0.6
121.60250	0.7
123.04398	2.4
127.03901	1.1
131.04903	62.5
133.06468	52.7
139.03862	0.8
143.04854	1.3
145.02783	0.7
149.05957	100.0
160.30893	0.6
161.05946	37.2
165.05389	1.0
173.07082	1.1
173.84225	0.7
178.03253	0.7
179.06996	61.4
191.06940	0.8
196.04230	1.1
196.07565	2.7
196.09525	0.7
305.08035	0.7
341.67703	0.7
358.15375	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	357.2996
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05509	21.8
55.34970	2.3
57.07066	5.7
59.66956	2.3
67.05488	38.8
69.07052	36.2
79.05473	13.9
81.07037	100.0
83.04951	3.6
83.08588	16.6
85.06560	3.6
91.05470	9.9
92.63186	2.4
93.07031	26.6
95.08586	75.5
97.06513	2.5
97.10158	10.7
98.97573	5.7
105.06994	12.4
107.08584	26.8
109.10154	43.6
111.08022	5.8
111.11705	5.6
116.98576	5.7
116.99471	2.6
119.08575	11.8
121.10125	16.1
123.08046	3.6
123.11686	23.2
125.45043	3.2
133.10075	6.3
134.99702	4.4
135.11687	5.3
137.09708	2.8
137.13220	3.9
145.10123	3.5
147.11670	6.7
149.13251	11.2
151.14783	3.2
159.11659	10.8
163.14861	3.3
175.14915	2.6
179.03966	2.5
250.89323	4.9
303.26804	5.6
311.56558	2.7
321.27902	20.2
339.28488	3.5
356.64200	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	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.76015	1.2
53.03947	1.8
55.05507	18.0
55.28083	1.2
57.07058	2.6
62.45152	1.2
65.25282	1.3
67.05496	23.8
69.06783	1.1
69.07057	18.5
70.06562	3.2
71.04967	12.3
72.93797	1.5
73.72555	1.4
75.94558	1.4
79.05473	22.0
81.07037	61.8
83.08561	6.3
88.07607	2.2
91.05459	28.2
93.07018	56.3
94.42928	1.5
95.04939	9.0
95.08005	2.5
95.08582	54.2
97.06502	13.3
97.10129	2.4
105.07007	79.6
107.08571	32.0
108.95855	1.4
109.06479	8.6
109.10144	20.4
111.08066	2.7
117.06998	12.9
119.08555	100.0
121.06471	1.7
121.10107	27.1
123.11650	8.3
124.31476	1.5
128.06255	1.6
129.06949	2.4
130.07721	2.7
131.08537	24.5
132.95795	2.2
133.10101	17.5
135.08029	2.0
135.11662	7.1
137.09619	3.0
142.07732	2.2
143.08517	13.1
145.10085	36.5
147.11668	20.2
149.13226	8.0
150.96886	3.1
156.09361	1.4
157.10080	8.8
159.11659	33.9
161.13203	10.2
163.14734	2.6
168.85632	1.8
171.11627	2.6
173.13214	11.0
177.00237	1.4
177.12711	2.6
185.13196	5.3
187.14803	8.6
199.14737	2.8
201.16121	1.3
203.18176	1.9
208.88318	3.2
215.17981	2.2
232.88330	3.0
250.89351	34.0
268.90317	2.0
274.89273	11.6
292.90350	2.5
316.90314	6.6
330.76212	1.6
356.35132	5.8
357.35355	15.2
358.36685	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	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77555	2.8
55.05509	26.5
67.05492	29.0
69.07047	24.4
71.03473	3.4
71.04956	21.8
73.38400	3.3
79.05473	28.9
79.59187	2.9
79.93423	3.1
81.07035	93.7
91.05453	35.0
92.63522	4.0
93.07018	61.9
95.04937	16.9
95.08584	44.3
97.06503	18.8
98.97559	4.1
105.07011	75.1
107.08568	27.7
109.06492	16.6
109.10139	21.1
111.08085	4.4
116.98600	7.9
117.06974	6.5
119.08562	100.0
121.10100	21.4
123.11708	4.4
128.87250	3.7
131.08527	14.2
133.10100	22.1
134.99736	4.0
135.11679	7.5
137.09616	6.5
137.98802	4.3
143.08560	14.1
145.10088	22.4
147.11659	15.6
149.09633	5.4
157.10075	13.5
158.10930	4.2
159.11630	30.2
161.13216	13.3
171.11633	8.3
184.20708	4.1
217.15805	5.0
250.89384	5.0
253.94949	3.7
267.26166	3.7
374.50610	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	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	18.3
67.05486	21.4
69.07051	25.8
71.04983	21.1
78.08751	2.7
79.05464	18.7
81.07040	65.2
91.05452	34.0
93.07016	71.9
95.04936	6.4
95.08578	58.5
97.06513	17.9
98.81987	3.1
98.97564	12.6
105.07012	61.1
107.08575	35.6
109.06521	13.0
109.10154	19.7
111.08064	4.8
116.98601	3.8
117.06977	13.3
119.08556	100.0
121.10134	23.8
123.11671	5.1
124.97473	3.1
129.06950	5.5
131.08557	24.0
133.10123	26.5
135.11624	3.4
142.07704	3.3
143.08553	5.1
145.10077	37.5
147.11702	22.4
157.10104	17.8
159.11697	31.8
161.13225	11.9
171.11670	6.2
173.13248	6.6
175.14830	3.8
187.14784	6.9
189.16365	6.3
213.16304	4.4
215.17847	4.0
250.31944	3.6
278.43301	3.6
335.15137	13.8
339.26917	3.6
353.16263	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	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.05502	21.9
56.96571	3.7
59.14727	4.1
62.98275	2.9
67.05499	19.4
69.07052	18.0
71.04977	9.4
79.05464	19.4
79.07938	3.7
81.07037	87.2
81.61594	4.0
83.04964	5.4
85.06561	3.6
91.05464	31.2
93.07019	100.0
95.04940	9.1
95.08580	45.3
96.20300	4.3
97.06530	5.0
98.97578	5.0
103.84358	3.5
105.07021	54.6
107.08580	52.7
109.06498	37.5
109.10133	23.3
111.08059	7.9
116.98617	5.6
117.07013	5.9
118.27720	3.6
119.08549	72.8
121.10088	29.5
122.25442	3.8
123.11751	5.1
129.06996	4.6
131.08540	19.1
133.10120	29.9
135.11653	40.9
137.09659	4.0
142.07785	4.1
143.08536	4.0
145.10123	31.3
147.11678	16.4
149.09601	18.3
149.13258	8.3
157.10129	16.1
159.11621	27.9
161.09554	5.1
161.13246	7.9
171.11685	8.4
173.13293	4.6
175.98288	4.1
187.14842	4.3
199.14864	4.8
250.89360	15.8
301.37402	4.5
339.26929	6.6
357.23828	16.4
368.52115	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	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.7
55.05505	22.7
56.96567	1.7
57.07061	3.3
67.05486	30.4
69.07056	15.3
71.04977	22.0
79.05476	27.5
81.07039	82.4
83.04984	3.1
83.08611	9.0
85.06509	2.8
87.04501	2.2
91.05460	33.4
92.09280	2.2
93.07015	83.9
93.90382	1.8
95.04949	10.3
95.08584	69.6
97.06479	3.7
97.10162	3.0
98.97564	2.2
102.17686	1.8
105.07010	85.2
107.04927	3.6
107.08579	71.0
109.06499	22.5
109.07138	2.5
109.10144	37.3
111.08075	24.0
113.09583	3.6
114.34642	1.7
117.07017	13.4
119.08554	100.0
121.10119	41.0
123.08035	2.1
123.11662	10.1
129.07001	2.9
130.07809	2.3
131.08545	33.4
133.10097	53.6
134.99699	2.3
135.08070	19.3
135.11612	14.0
137.09608	8.4
137.13295	2.1
142.07756	3.6
143.08516	12.7
144.09294	4.3
145.10115	37.2
147.08058	2.3
147.11670	33.9
149.09608	4.2
149.13196	17.1
151.07486	2.5
151.11153	2.7
156.09302	3.9
157.10103	22.4
158.10863	2.2
159.11676	47.3
161.09575	2.1
161.13185	16.6
163.14780	20.5
169.10092	4.5
171.11646	13.8
173.13248	17.2
175.11140	2.2
175.14810	4.0
177.12633	3.4
182.10864	2.5
183.11674	3.7
185.13239	9.0
187.14746	13.7
189.14729	2.6
189.16342	53.3
191.10648	8.9
195.11697	2.0
199.14790	10.2
201.16306	7.5
203.17966	11.4
207.17447	3.4
211.14702	2.9
213.16339	10.4
215.17976	10.6
227.17937	4.0
239.17911	2.1
250.89375	2.1
255.21028	11.0
269.22784	2.2
281.22546	10.0
339.26682	10.0
357.24023	3.0
357.27933	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	357.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.8
55.05502	21.9
56.96571	3.7
59.14727	4.1
62.98275	2.9
67.05499	19.4
69.07052	18.0
71.04977	9.4
79.05464	19.4
79.07938	3.7
81.07037	87.2
81.61594	4.0
83.04964	5.4
85.06561	3.6
91.05464	31.2
93.07019	100.0
95.04940	9.1
95.08580	45.3
96.20300	4.3
97.06530	5.0
98.97578	5.0
103.84358	3.5
105.07021	54.6
107.08580	52.7
109.06498	37.5
109.10133	23.3
111.08059	7.9
116.98617	5.6
117.07013	5.9
118.27720	3.6
119.08549	72.8
121.10088	29.5
122.25442	3.8
123.11751	5.1
129.06996	4.6
131.08540	19.1
133.10120	29.9
135.11653	40.9
137.09659	4.0
142.07785	4.1
143.08536	4.0
145.10123	31.3
147.11678	16.4
149.09601	18.3
149.13258	8.3
157.10129	16.1
159.11621	27.9
161.09554	5.1
161.13246	7.9
171.11685	8.4
173.13293	4.6
175.98288	4.1
187.14842	4.3
199.14864	4.8
250.89360	15.8
301.37402	4.5
339.26929	6.6
357.23828	16.4
368.52115	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	357.1177
Annotation	Juglanoside D
Peak:m/z	Relative Intensity
54.07246	0.4
62.40565	0.3
63.02357	0.6
65.22226	0.4
69.03426	0.4
78.04713	1.5
85.02901	0.6
89.03896	14.0
91.05463	0.8
92.08698	0.6
95.04935	0.4
99.13021	0.4
106.04157	0.7
117.03361	30.2
124.05213	0.4
134.03600	4.0
135.04398	3.9
145.02829	69.4
149.05960	15.2
159.13821	0.4
162.03098	1.9
163.03848	6.0
163.91663	0.4
177.05434	100.0
178.05754	0.5
195.06496	21.4
271.59070	0.4
325.39224	0.4
339.49561	0.4
357.15280	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	357.2265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	2.1
55.05506	22.1
57.03421	4.1
62.16024	1.4
62.36436	1.5
66.24076	1.4
67.05483	10.0
69.03409	6.8
69.07050	26.7
71.04974	3.7
79.05465	17.0
81.03378	3.8
81.07037	32.7
83.08607	20.0
85.02881	16.3
91.05445	13.5
93.07021	40.3
95.04925	3.4
95.08582	87.2
97.02861	3.6
97.10149	10.3
97.67732	1.9
99.08084	3.1
105.07004	16.0
107.08576	65.8
109.02863	2.5
109.06484	3.0
109.10140	21.5
119.08567	9.7
121.10121	99.7
123.11658	6.9
125.09611	2.3
129.47847	1.6
131.08517	7.0
133.06514	2.0
133.10100	8.1
135.11670	19.2
137.13295	5.2
143.08514	1.9
145.10066	3.8
149.13232	7.7
159.11665	3.3
161.05916	3.5
161.13260	2.0
163.14839	1.8
168.29778	1.7
173.13222	2.3
177.16348	100.0
195.17397	3.7
196.04070	1.8
199.07945	1.9
231.17519	2.0
357.18619	7.0
357.26001	15.3
359.45038	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.3517
Annotation	Eicosanoyl-EA
Peak:m/z	Relative Intensity
53.16351	0.3
54.82119	0.3
55.05502	14.9
55.83279	0.3
57.07053	2.3
58.06584	0.9
59.34926	0.4
62.06064	0.4
64.61366	0.3
67.05492	0.4
69.07050	11.0
69.55474	0.4
70.06203	0.7
70.06575	16.7
71.08620	0.4
83.08602	4.6
88.07607	20.8
90.14848	0.3
90.63637	0.3
95.08583	0.5
97.10151	1.8
98.09546	0.4
102.09163	5.1
106.08646	9.9
127.68839	0.4
203.51129	0.4
312.32623	0.5
331.46658	0.3
338.34082	8.7
356.35135	100.0
357.35190	0.4
366.51157	0.4
373.85818	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.7
57.03176	0.7
57.03428	12.0
57.07080	1.0
59.04995	6.7
61.02892	4.2
69.03413	6.6
71.04973	7.3
71.08613	100.0
71.98370	0.6
73.02872	0.7
73.06519	0.7
79.05444	3.0
81.03385	3.2
81.06596	1.3
81.07040	26.1
83.04948	3.6
85.02889	28.2
85.06512	5.9
87.04437	0.7
97.02860	6.6
99.04460	0.9
99.08069	35.7
109.02843	1.3
109.06497	35.5
113.09587	0.7
115.07552	1.1
117.09106	70.2
127.03889	2.9
127.07478	2.9
141.09077	86.3
142.78433	0.9
145.08560	3.0
147.04408	1.4
159.10109	9.0
169.30565	0.7
177.05447	0.8
177.11183	35.1
189.05688	0.9
242.87561	0.6
378.20993	0.8
379.19516	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
52.50381	0.8
55.01844	1.0
57.03430	11.0
58.42975	0.9
59.04972	1.0
61.02915	2.5
67.41735	0.9
69.03411	6.2
71.04980	10.9
71.08619	21.1
79.05475	1.2
81.07038	9.8
83.04978	2.2
85.02886	19.6
85.06523	4.6
97.02850	2.0
97.19102	1.2
99.08067	20.1
109.02841	1.1
109.06503	12.5
115.07533	1.9
117.09113	100.0
127.03819	1.2
127.07507	2.0
141.09085	17.9
145.08582	4.6
147.04414	4.9
159.10109	5.1
177.11194	26.2
211.14456	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
51.14230	1.0
51.21527	1.0
53.03931	4.7
55.01855	2.3
55.05490	5.5
57.03427	7.8
57.19337	0.9
59.04988	10.9
61.02911	21.4
61.41446	0.9
61.49784	0.8
67.05479	4.4
69.03412	18.2
69.07047	2.3
70.06568	1.7
71.01340	7.8
71.04976	14.1
73.02898	2.0
73.06533	1.1
75.04449	7.3
76.56254	0.8
81.03397	59.7
81.07028	1.8
83.04951	5.4
84.08128	2.0
85.02886	69.9
85.06512	5.3
87.00793	1.9
87.04443	4.0
89.02394	9.3
91.03931	1.4
91.05452	1.4
93.07022	10.3
94.07352	1.8
95.04960	5.4
95.08571	5.6
97.02872	22.3
97.06533	7.2
99.04433	19.2
101.02341	2.1
101.05994	9.6
103.03926	11.3
103.05435	1.9
104.05840	1.0
105.01838	1.8
109.02861	34.2
111.04426	5.9
111.08052	2.0
112.07597	1.1
113.02331	2.1
113.05988	10.5
113.09612	1.0
115.03899	1.4
117.05438	1.8
119.04919	1.8
121.06479	100.0
122.06811	42.5
123.08049	1.2
127.03900	38.0
127.07496	1.7
129.01787	1.2
129.05476	2.2
131.04874	1.8
131.07031	4.6
132.05252	1.0
138.06277	1.0
138.09123	32.8
139.09474	11.0
141.05460	16.6
141.09111	4.9
145.04918	14.5
147.04384	12.1
159.04430	1.3
159.06502	32.6
159.10118	1.7
165.05470	5.5
177.07562	51.8
177.11230	1.2
231.05003	1.4
339.12839	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	356.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.5
55.01851	1.0
55.05509	1.3
55.83279	0.5
56.52649	0.5
56.59555	0.4
57.03429	9.0
59.70911	0.5
61.02911	3.2
67.01855	2.4
69.03415	14.8
71.01340	0.7
71.04979	1.1
72.08136	18.5
72.08506	0.8
73.02891	3.3
75.97185	0.5
77.83632	0.6
81.03391	4.4
82.13836	0.5
83.01334	1.3
84.08139	3.1
85.02887	46.8
86.09689	2.5
87.00791	4.6
95.01307	100.0
97.02867	11.9
99.04424	3.3
101.02345	1.1
105.01853	3.0
109.02884	3.4
111.00774	4.9
113.02349	12.9
113.06001	1.0
118.08621	8.1
127.03870	5.8
129.01813	17.9
130.08629	2.5
135.11346	0.5
141.01804	54.4
145.04942	1.9
147.04407	1.2
159.02824	1.3
165.05360	0.7
173.04430	2.4
177.03906	59.2
187.84711	0.5
214.11574	0.6
217.45107	0.6
275.05139	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2991
Annotation	Unknow
Peak:m/z	Relative Intensity
53.55304	2.0
53.82200	2.1
55.05499	14.4
57.07051	3.1
67.05491	22.2
67.38000	2.7
69.07048	17.6
76.53073	2.4
79.05473	24.6
81.07040	100.0
83.04930	2.5
83.08602	4.1
91.05486	19.0
93.07028	64.0
95.04964	3.9
95.08587	53.3
97.06522	3.2
97.10161	4.1
105.07022	37.4
107.08585	60.3
109.06504	5.2
109.10150	30.7
119.08565	38.5
121.10139	40.4
123.11673	14.5
125.32242	2.7
131.08559	12.0
133.10104	28.3
135.11661	20.6
145.10104	11.9
147.11673	16.4
149.13197	29.0
155.78839	2.8
159.11667	15.3
161.13229	13.5
163.14806	16.7
171.11723	2.9
173.13239	10.8
175.14729	4.1
187.14781	5.5
189.16403	18.4
191.17937	14.5
205.08426	2.6
229.40179	2.8
248.90027	3.5
337.28906	4.9
355.29034	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	356.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01872	0.9
56.36248	0.6
57.03429	7.4
61.02915	2.6
63.77238	0.6
67.01849	1.6
69.03411	10.5
73.02880	1.3
81.03396	1.4
83.01301	3.0
84.08150	1.1
85.02887	37.6
95.01305	100.0
97.02867	11.8
101.02364	0.9
109.02853	0.8
111.00779	5.5
113.02356	10.2
127.03898	0.9
129.01807	17.9
132.24385	0.8
135.26318	0.7
137.59813	0.8
141.01802	47.1
177.03900	56.7
218.58124	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	26.8
57.03420	8.9
57.07063	16.0
62.34257	3.7
64.83642	3.2
65.90260	3.5
66.87040	3.5
67.05497	99.0
68.77080	4.1
69.07059	31.7
71.08610	4.3
73.15559	3.7
79.05478	29.3
81.07039	100.0
83.08596	16.6
83.26078	4.4
84.80227	3.2
91.05459	24.5
92.09392	12.4
92.28046	3.4
93.07029	34.7
93.07537	4.5
95.08584	82.4
97.10160	5.5
98.97598	8.8
104.58187	3.8
105.07030	16.8
107.08572	17.7
109.10144	28.2
116.98605	4.4
119.08567	22.2
121.10109	18.4
127.07581	3.8
133.10097	16.4
135.11713	4.7
161.13239	5.2
205.32172	4.0
245.22588	21.3
248.89886	8.3
263.23480	13.8
337.27414	13.9
355.28442	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	355.284
Annotation	2-Linoleoyl Glycerol
Peak:m/z	Relative Intensity
55.05510	28.3
56.96542	1.7
57.03426	7.0
57.07061	10.3
60.83112	1.7
67.05494	86.6
69.03385	1.5
69.07059	27.2
71.08613	4.2
79.05480	26.9
81.07038	100.0
83.04956	2.0
83.08602	17.9
85.06520	1.9
85.10165	2.6
91.05462	23.2
92.40088	1.7
93.07022	35.2
95.04950	3.4
95.08584	80.3
97.06478	7.2
97.10154	3.5
98.97566	2.7
99.08049	3.0
105.07020	24.3
107.08571	23.6
109.06499	4.2
109.10143	35.6
111.11697	2.6
116.98601	6.7
119.08562	21.9
121.10091	21.3
123.11691	17.7
131.08504	3.4
133.10104	16.8
134.99631	3.6
135.11667	9.4
137.13245	2.9
143.08519	2.4
145.10062	3.8
147.11678	11.0
149.09496	1.8
149.13200	7.4
151.14809	2.6
152.23238	1.7
159.11708	2.2
161.13196	9.7
163.03886	7.0
163.14835	6.9
175.14793	8.0
245.05415	1.8
245.22540	18.5
263.23639	21.4
284.77676	1.8
290.94534	3.4
315.97708	1.7
337.27298	19.9
355.16885	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2839
Annotation	Unknow
Peak:m/z	Relative Intensity
53.24178	3.0
55.05508	31.6
56.96548	3.5
57.07053	12.5
58.54045	3.0
62.19159	2.9
66.32101	3.1
67.05492	88.8
69.07052	44.1
70.06573	5.8
71.08613	6.0
79.05470	32.2
81.06587	7.1
81.07032	100.0
83.08600	24.5
84.71809	3.7
88.07617	8.4
91.05452	21.5
93.07014	39.8
95.08587	89.1
97.06490	6.4
97.10133	4.8
98.97552	36.1
105.07019	17.2
107.08564	22.7
109.10146	39.4
116.98594	41.4
119.08556	15.7
121.10101	21.4
123.11707	17.8
133.10078	15.9
133.40427	3.6
134.99634	24.5
135.11728	13.8
144.75447	4.5
147.11642	5.8
148.38982	3.3
151.14774	5.4
161.13257	4.2
163.14795	7.4
175.14830	6.0
245.22537	21.6
263.23639	24.2
288.42065	3.8
290.94785	25.9
297.60513	3.5
308.95990	5.1
337.27383	26.5
354.33557	4.2
355.33929	20.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	4.3
55.05497	20.8
56.96548	4.4
64.18976	3.1
65.13056	3.1
67.05498	30.0
69.03408	3.5
69.07056	18.5
70.06581	5.7
71.04974	6.2
79.05474	35.5
81.07037	100.0
82.85525	3.4
86.15488	3.5
88.07616	15.7
91.05456	32.0
92.09124	6.7
92.63631	4.1
93.07028	80.6
95.04916	6.4
95.08589	57.7
97.06560	4.9
98.97554	45.9
105.01573	3.4
105.07012	62.8
106.08671	4.6
107.08571	31.1
109.06519	24.4
109.10130	18.5
111.08042	7.1
116.98603	37.2
117.06990	9.4
119.08549	67.5
121.06573	4.4
121.10124	21.5
129.07007	6.0
131.08551	26.0
133.10107	18.5
134.99648	29.3
135.11691	6.9
143.08568	6.8
145.10127	30.9
147.11644	6.9
153.00662	4.6
157.10100	19.9
159.11655	7.2
160.42859	3.9
161.09579	5.7
161.13214	7.1
171.11667	9.5
173.13242	6.0
185.13274	8.4
187.14749	8.3
189.16287	5.7
201.16425	4.6
227.17999	4.8
239.17598	5.0
290.94702	21.4
308.95792	6.2
354.33664	16.7
355.33987	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	3.8
55.05503	28.1
55.05734	3.1
57.07067	3.8
67.05486	40.2
69.07037	20.9
69.93378	3.9
70.06588	5.4
71.04973	19.3
71.58965	3.2
72.53203	3.6
78.19540	3.3
79.05478	44.0
79.62503	3.1
81.07035	88.7
83.08615	5.4
88.07619	8.2
91.05460	42.9
92.09216	25.1
93.07020	100.0
95.04939	19.3
95.08587	54.5
97.06511	6.8
98.97569	36.4
100.96397	4.4
105.07013	77.7
107.08569	58.0
109.06516	32.1
109.10155	29.5
111.08044	14.2
116.98585	38.1
117.06989	15.4
119.08568	72.4
121.06479	5.2
121.10133	24.2
123.08037	4.5
123.11685	4.1
129.06981	15.6
131.08530	28.7
133.10089	37.7
134.99677	29.4
135.08011	6.6
135.11679	22.5
137.09625	17.5
142.07800	6.1
143.08559	16.0
145.10031	28.2
147.11670	16.0
149.09633	4.7
151.11177	3.5
155.08519	5.0
157.10091	26.8
159.11664	42.6
161.13251	15.4
163.11134	4.3
171.11685	18.1
173.13243	7.6
175.11169	4.8
175.14819	4.6
185.13287	5.6
187.14833	7.2
197.13188	6.3
199.14754	7.2
201.21506	3.9
213.16307	4.5
290.94714	33.5
307.86484	3.6
308.95709	6.1
332.85577	3.4
348.85840	3.9
354.33563	17.1
355.22250	4.4
355.26041	4.9
355.30090	7.0
355.34021	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	355.1865
Annotation	Unknow
Peak:m/z	Relative Intensity
52.97997	0.1
53.03937	0.4
53.90597	0.1
54.81047	0.1
54.81307	0.2
55.01859	0.2
55.05508	0.2
57.03431	0.8
59.05004	0.2
61.02924	0.2
67.05499	0.4
69.03419	0.7
69.07051	1.7
70.06570	1.1
70.07391	0.6
71.04979	0.8
71.09209	0.1
72.08177	0.2
73.02906	0.2
79.05480	0.2
81.03403	0.9
81.07049	0.7
83.04981	0.8
84.08136	0.8
85.02890	2.1
85.06532	0.3
86.03239	0.2
91.05455	3.0
93.07015	7.7
95.04958	1.8
95.08598	0.4
97.02858	0.7
97.06523	1.1
99.04458	0.2
101.02378	0.3
101.05991	0.2
103.03949	0.2
103.05441	4.6
103.06090	0.2
105.04475	0.2
109.02838	0.2
109.06490	0.2
111.04414	0.2
111.08042	1.4
112.08386	0.7
113.05996	1.4
115.07576	0.3
121.06477	100.0
122.06812	0.7
127.03888	0.3
129.05484	0.2
131.04900	1.8
133.06543	0.2
133.07541	0.3
138.09113	31.5
139.07523	1.0
139.11159	1.2
140.07863	0.8
140.11581	0.1
141.05516	0.2
144.10188	0.3
145.02881	0.2
147.04379	0.2
151.08594	0.2
157.08559	1.3
157.12212	0.3
158.08937	0.5
163.03816	0.3
163.07445	0.3
167.10545	0.2
168.11192	0.2
172.09628	0.4
174.99878	0.1
175.04984	0.8
175.09685	0.4
176.10002	0.3
177.06503	0.9
177.07715	0.6
178.09718	0.4
200.09097	0.2
206.09320	0.2
221.05582	1.6
227.71767	0.2
255.88606	0.2
262.15375	0.4
284.98755	0.2
311.12598	0.2
337.05133	0.6
355.10556	1.2
355.15161	0.2
355.19687	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Scopolin
Peak:m/z	Relative Intensity
52.57904	0.1
58.62193	0.2
59.04974	0.3
60.69707	0.1
62.22131	0.1
63.95673	0.2
73.71362	0.1
77.25201	0.1
85.02881	0.2
89.03891	0.3
93.06947	0.2
94.04156	0.3
95.08527	0.1
97.79204	0.1
105.03352	0.2
106.04185	0.2
117.03304	0.6
122.03648	1.6
123.75814	0.2
133.02829	27.9
137.05951	5.7
149.05971	2.2
150.03119	1.2
161.02377	0.2
165.05461	2.8
165.06792	0.2
178.02573	14.8
193.04933	100.0
194.05199	0.2
248.24327	0.2
269.11136	0.1
275.19434	0.2
286.90448	0.2
297.76508	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.1019
Annotation	Scopolin
Peak:m/z	Relative Intensity
51.76548	0.1
54.81785	0.1
56.05018	0.5
57.03416	0.2
61.02899	0.1
67.01854	0.7
67.05489	0.2
67.38037	0.1
68.99779	0.2
69.07034	0.4
71.04958	0.1
72.08103	0.1
72.23674	0.1
76.85851	0.1
81.03393	0.2
81.07030	0.6
85.02883	1.3
91.05457	0.2
92.09221	0.2
93.07012	0.2
95.08586	0.8
96.08914	0.1
97.02847	0.2
98.06030	0.2
105.06898	0.1
107.04895	0.1
109.02890	0.2
109.10076	0.1
113.09655	0.2
119.04869	0.1
119.08527	0.2
121.10136	0.4
122.50889	0.1
123.04353	0.1
125.05952	0.7
127.03896	0.5
130.06502	3.3
137.05908	0.2
137.09496	0.1
139.11150	1.0
140.11475	0.2
147.04384	0.8
151.03879	0.6
153.01816	0.8
157.12190	0.5
169.04927	0.9
172.07492	0.5
176.07059	1.5
190.05298	0.1
193.04924	100.0
194.05215	0.1
218.08101	0.2
224.31192	0.1
355.17480	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	355.0993
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34700	0.7
53.43021	0.6
55.05489	0.7
55.88821	0.7
57.03427	0.8
58.96021	0.6
62.06074	1.7
64.33294	0.8
65.64954	0.8
69.07044	5.4
70.07385	1.0
71.04977	1.7
73.02832	0.7
83.08585	1.0
85.02876	5.6
85.06509	1.1
93.07014	1.9
95.04947	0.9
97.06509	3.3
98.97559	0.8
111.08082	3.4
113.05991	1.2
127.23080	0.8
128.56029	0.9
130.44240	0.8
139.07506	1.5
157.08578	3.7
157.12227	1.1
175.09575	1.2
177.01561	2.1
185.04179	2.0
186.27664	0.7
192.03897	20.4
193.04712	6.4
225.74901	1.0
324.08252	1.3
355.09900	100.0
366.22675	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	355.102
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02359	0.1
53.03946	0.1
54.74216	0.1
57.03425	0.3
59.04981	0.6
62.54940	0.1
66.92795	0.1
69.03428	0.1
69.07050	0.2
71.04977	0.2
73.02889	0.2
74.48681	0.1
77.03899	0.2
79.05472	0.2
81.03394	0.1
81.07016	0.1
85.02878	0.6
85.06499	0.1
87.26337	0.1
89.03891	0.5
91.05457	0.2
93.06969	0.1
94.04176	0.2
95.08539	0.3
97.02877	0.2
103.05483	0.1
105.03379	0.4
106.50073	0.1
112.60155	0.1
117.03382	0.2
121.10130	0.1
122.03609	1.4
133.02826	26.8
134.03592	0.2
135.04494	0.1
137.05954	7.1
139.11143	0.2
149.05956	2.1
150.03094	1.4
157.12236	0.2
161.02312	0.5
163.03891	0.2
165.05414	2.9
178.02570	15.1
187.16272	0.1
193.04927	100.0
194.05270	0.6
271.48462	0.1
282.10406	0.1
355.13593	0.2
370.25458	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	355.0994
Annotation	Unknow
Peak:m/z	Relative Intensity
50.41840	0.7
53.03923	0.8
55.01856	1.1
55.05493	1.9
56.96544	1.2
57.03426	3.5
57.46377	0.6
59.04964	0.8
61.02905	2.8
62.06060	1.0
67.05483	3.2
69.03403	1.8
69.07057	11.1
70.07365	0.7
71.04974	4.9
73.02879	1.3
79.05476	6.7
80.05859	0.8
81.07039	7.4
83.04960	3.5
83.08570	1.5
84.39436	0.9
85.02886	10.6
85.06522	7.2
87.04450	0.9
91.05463	1.7
93.07026	11.0
94.07314	1.0
95.04926	4.3
95.08582	6.4
97.02863	3.6
97.06504	14.7
98.06828	1.4
98.23930	0.9
99.04452	0.9
99.08083	4.2
101.06014	1.0
103.05415	1.0
109.02842	1.1
109.06495	1.3
111.08071	10.8
111.11700	1.1
112.08413	1.3
112.90038	0.7
113.06027	5.9
114.06331	1.7
115.07535	3.0
116.98608	1.3
121.06486	26.7
121.10141	3.9
122.06812	7.9
138.09099	5.6
139.07539	14.4
139.09474	2.9
139.11191	7.0
140.07861	7.1
140.11499	0.8
145.04895	0.9
148.35548	0.7
157.08578	15.9
157.12181	7.9
158.08876	5.8
160.91309	0.8
175.09607	7.5
175.13364	1.8
176.09999	2.8
177.01617	3.5
185.04146	3.1
192.03902	20.7
192.12251	0.8
193.04674	5.1
193.14337	1.4
201.57289	0.9
324.08017	1.5
325.08771	1.3
355.09927	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2117
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.0
53.29741	0.7
55.01862	1.2
55.05500	11.7
55.90131	0.8
57.03423	6.4
57.07053	1.5
59.04989	4.7
61.02915	7.0
65.86139	0.8
67.05499	3.9
69.03415	13.7
69.07053	89.1
70.06578	1.2
70.07388	1.6
71.04975	24.6
72.53349	0.9
73.02904	4.9
75.43717	0.9
79.05469	4.5
81.03380	2.5
81.07037	23.6
82.07374	3.5
83.04955	6.7
83.08615	1.8
85.02888	45.4
85.06519	7.8
86.09679	2.5
87.04472	1.0
87.08088	4.1
91.05466	1.6
93.07013	10.2
95.08581	27.7
95.42465	1.0
96.08920	2.0
97.02878	11.0
97.06511	33.1
97.10154	12.2
99.04440	2.1
99.08078	9.1
109.02856	1.2
109.10156	4.3
111.11703	50.5
113.09595	1.6
115.07543	1.4
119.04881	0.9
121.10124	28.3
123.07990	1.0
127.03904	5.1
129.23396	1.0
133.92827	0.9
137.13272	2.2
138.13631	2.1
139.11159	75.8
144.77821	1.0
145.04936	2.2
155.14281	2.2
156.14578	1.1
157.12216	100.0
173.15387	1.2
174.15794	1.3
175.13268	14.0
295.01364	1.1
319.17517	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	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.4
55.01862	0.8
55.05497	3.2
55.66798	0.4
57.03418	2.4
61.02914	20.1
62.06059	0.8
67.05486	2.7
69.03410	3.2
69.07043	3.1
71.04980	0.9
79.05476	46.3
81.03413	0.6
81.07056	0.5
83.04956	4.0
83.08620	0.7
84.04901	0.5
85.02898	8.8
85.06528	2.4
87.04446	0.6
91.05456	1.9
93.07025	37.1
95.04960	4.3
95.08576	2.0
95.79170	0.4
97.02863	2.8
97.06512	30.9
99.04417	0.8
101.05992	0.6
109.06490	3.7
111.08071	7.6
113.06004	3.5
115.03903	0.6
115.07540	2.9
121.06480	11.6
127.03873	0.8
127.07510	1.0
129.05449	1.1
129.09111	0.9
131.07089	0.7
139.07518	100.0
139.11122	1.2
140.83328	0.5
157.04993	0.7
157.08577	41.9
175.06044	0.6
175.09630	25.9
192.12257	0.6
198.04765	0.5
202.77261	0.5
237.21120	0.6
262.08563	0.6
265.64880	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.2115
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.2
55.01859	1.2
55.05503	12.0
57.03411	6.6
57.07051	2.0
59.04977	4.5
59.57981	0.9
59.98247	0.9
61.02909	4.9
67.05481	4.0
69.03405	14.8
69.07049	78.0
70.07346	2.0
71.04967	19.0
73.02905	2.5
79.05469	2.3
81.03389	4.4
81.07037	29.7
82.07348	6.5
83.04961	9.9
83.08607	1.4
84.08116	1.2
85.02882	34.4
85.06507	7.0
86.09679	13.9
87.08102	1.3
87.10004	4.8
91.05434	2.1
93.07005	11.4
95.08578	30.6
96.08904	1.6
97.02825	7.6
97.06506	22.7
97.10149	10.5
99.04385	2.0
99.08058	7.4
105.03395	1.6
105.06999	2.1
109.02846	1.7
109.10125	3.9
110.18545	0.9
111.10981	2.1
111.11697	49.8
112.12060	1.4
113.09599	2.5
115.07530	1.3
115.13907	0.9
119.04873	1.4
121.10107	35.8
127.03897	5.5
128.10651	6.0
129.09042	1.0
129.11017	1.9
132.10153	1.1
137.13211	6.6
138.13515	1.7
139.11142	73.6
145.04921	2.5
155.14255	5.5
157.12204	100.0
164.95619	1.1
170.87920	1.1
173.15321	4.2
174.15683	1.5
175.11769	1.5
175.13177	11.4
192.10094	2.1
193.04991	2.0
311.44601	1.1
319.17413	6.6
366.55997	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.6
54.81120	1.5
55.01863	7.3
55.05500	8.3
56.96543	1.2
57.03426	6.4
59.04982	5.1
61.02917	12.7
62.06084	5.2
64.32294	1.1
67.05492	7.6
69.03416	11.7
69.07058	57.1
70.06606	1.9
71.04977	13.8
72.08149	2.9
73.02900	2.8
73.06537	2.4
74.95470	1.2
79.05476	22.3
81.03402	9.5
81.07043	7.3
83.04974	28.9
83.08607	6.5
85.02892	45.0
85.06521	11.9
87.04449	1.5
87.15795	1.1
87.69431	1.1
91.03924	1.4
91.05450	4.6
93.07027	44.8
95.04949	25.9
95.08581	10.8
97.02885	13.8
97.06514	56.8
98.97562	1.4
99.04426	6.3
99.08121	1.4
101.02371	8.9
103.03915	1.5
109.02843	3.0
109.06525	6.1
111.04442	5.0
111.08068	58.4
111.11735	2.9
111.57558	1.3
113.05988	38.3
115.07553	9.8
117.49209	1.2
120.08087	19.5
121.06494	12.6
121.10101	9.8
122.24326	1.4
127.03912	5.5
127.07503	5.3
129.05458	4.7
129.09105	7.2
131.07030	2.0
134.05804	1.2
139.03908	7.3
139.07527	100.0
139.11156	30.8
145.04947	3.1
157.04933	5.2
157.08580	64.9
157.12231	6.9
166.08669	2.2
175.06052	7.2
175.09625	57.6
192.12286	5.0
263.98047	1.5
319.27823	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	354.1755
Annotation	Unknow
Peak:m/z	Relative Intensity
52.59743	1.6
53.03936	5.1
55.01847	10.3
55.05498	2.4
57.03420	12.5
61.02906	5.5
61.53750	1.9
61.72981	2.0
67.05489	2.7
68.99795	2.9
69.03413	59.5
69.07050	18.5
69.94964	2.4
70.07357	2.3
71.04964	5.1
72.05916	1.9
73.02884	4.4
75.52060	1.7
79.05491	2.4
81.03391	27.4
81.07027	3.0
85.02888	100.0
87.00810	52.0
87.04473	3.5
91.05447	3.9
93.07014	4.4
95.08558	5.5
97.02856	27.6
99.04431	14.5
101.16261	2.3
105.01846	47.1
105.06996	3.0
107.08609	3.1
109.02849	21.3
111.11723	4.0
117.01864	2.2
117.06998	2.6
119.08569	4.8
121.10114	3.7
125.52340	2.2
127.03896	54.0
133.10065	23.2
139.11136	4.0
145.04901	17.5
145.10068	5.4
147.04376	2.8
154.35150	2.5
157.10132	8.7
157.12218	4.6
159.02866	13.3
170.10811	2.9
175.13217	3.0
185.13164	3.4
192.14540	2.8
202.09378	2.8
203.14264	3.2
213.12766	9.1
213.66150	2.3
231.04944	17.9
231.13774	5.4
249.05995	3.7
274.22769	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	354.118
Annotation	OxIAA-Glc
Peak:m/z	Relative Intensity
53.00280	1.4
53.03937	1.4
55.05500	7.9
56.96536	0.9
57.03424	10.0
57.07061	3.7
59.04978	1.7
61.02900	5.4
67.05476	5.3
69.03410	10.2
69.07050	23.6
69.12100	0.9
70.06552	1.2
71.04977	25.5
73.02895	5.3
75.04449	9.0
78.01546	0.9
79.05460	5.9
81.03392	2.2
81.07040	16.4
83.04964	4.9
83.08601	14.2
85.02882	30.7
85.06522	4.2
87.04454	3.6
87.08078	1.7
90.94826	1.1
91.05450	6.2
93.07023	12.4
94.06544	5.5
95.04929	4.0
95.08576	18.1
97.02852	7.1
97.06502	13.7
97.10166	1.2
98.06847	1.2
98.97586	3.7
99.04428	3.9
99.08073	4.8
100.04773	1.0
101.06013	1.5
105.07015	1.7
109.02859	4.0
109.10135	2.2
111.08069	9.3
111.11729	3.9
113.09644	1.5
115.03926	1.2
115.07577	10.2
116.98574	1.6
117.09139	1.1
118.06544	8.6
119.04930	4.7
120.05242	1.2
121.10121	13.5
122.05997	7.2
127.03889	7.1
129.09064	4.5
137.09615	1.7
139.07487	3.8
139.11151	30.6
143.00165	1.2
145.04930	5.1
146.05984	19.7
147.04367	6.5
147.06767	1.1
148.04718	5.2
150.05511	1.4
155.10640	4.8
156.10976	3.8
157.08621	10.8
157.12210	30.9
163.03825	1.6
163.05974	1.3
164.07001	8.6
165.23425	1.0
171.55324	1.0
174.05466	100.0
175.09625	5.7
175.13231	4.6
192.06509	58.9
203.37271	1.0
217.36629	0.9
296.40045	1.0
327.91153	0.9
354.11719	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2681
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.03924	1.7
55.05502	16.2
57.03421	7.7
57.07056	8.0
67.05489	100.0
69.07056	12.5
79.05473	60.0
81.07034	98.9
83.08596	6.9
85.06490	2.1
91.05457	29.9
91.70885	1.3
93.06413	1.6
93.07016	64.4
95.04931	6.7
95.08583	70.8
97.06515	2.6
98.97540	1.7
99.08080	1.8
105.07006	25.2
107.08574	41.5
109.06490	2.4
109.10149	24.7
111.08076	1.5
116.98534	2.2
117.06997	11.2
119.08541	21.0
121.10120	26.8
123.08071	1.6
123.11653	8.4
131.08537	22.7
133.10110	12.7
135.11652	18.9
137.13235	5.3
145.10085	17.2
147.11642	8.3
149.13263	11.6
159.11662	8.2
161.13205	5.6
163.14731	9.4
166.96004	1.4
173.13174	10.0
185.13158	1.8
187.14757	5.4
197.13385	1.3
201.16237	1.9
243.21033	20.5
261.22061	36.1
281.19162	1.5
335.25507	10.7
353.26923	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	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
50.52442	0.7
53.00304	1.1
53.03938	1.8
54.81592	0.8
55.05507	18.1
56.96546	0.9
57.03432	6.5
57.07065	9.2
58.26422	0.9
58.62897	0.8
63.01785	0.7
64.41613	0.7
65.03912	2.2
65.99681	0.8
67.05491	97.2
69.07054	18.7
70.59667	0.7
71.04966	1.9
71.08655	1.2
76.56197	1.0
79.05472	57.9
81.07038	100.0
83.04932	1.0
83.08595	7.5
84.66312	0.8
85.02886	15.0
85.06530	1.7
91.05463	30.1
92.08766	4.2
93.07021	67.6
95.04958	6.2
95.08585	74.9
97.06484	1.8
97.10137	2.1
99.08068	1.9
99.25548	0.9
105.07018	24.4
107.08579	44.3
109.06498	1.9
109.10145	33.9
111.07974	1.0
117.06991	10.9
119.08571	16.6
121.10119	41.0
123.08052	1.3
123.11678	13.7
129.07010	1.0
131.08549	25.2
133.10118	13.4
135.11670	25.4
137.13219	3.6
145.10110	17.2
147.11685	8.3
149.13223	16.5
153.12709	1.0
154.34885	1.0
157.10201	1.4
159.11671	10.2
160.08821	1.4
161.09589	1.8
161.13237	9.5
163.14746	9.6
165.12758	1.0
171.11737	1.0
173.13239	13.7
175.11211	7.0
175.14835	4.6
176.76926	0.9
177.16356	4.0
187.14754	8.4
201.16368	2.1
203.10687	1.3
221.11711	5.6
233.22670	1.1
243.21078	15.5
261.22089	52.5
277.17899	1.7
279.23077	1.1
292.04651	1.0
293.18604	1.0
330.02338	1.0
335.25809	6.2
353.26697	16.5
354.34113	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.2682
Annotation	1,3-dihydroxypropan-2-yl (9E,12E,15E)-octadeca-9,12,15-trienoate
Peak:m/z	Relative Intensity
53.00298	0.7
53.03925	1.2
55.05503	13.9
57.03431	7.8
57.07076	4.4
58.97064	0.6
65.03915	2.4
67.05489	95.4
68.15292	0.5
69.07048	13.2
71.04980	2.7
71.08611	0.6
75.04448	0.8
77.17153	0.5
77.37808	0.6
79.05470	43.9
80.29803	0.6
81.07034	100.0
83.04964	0.8
83.08608	5.3
85.06506	2.9
91.05456	20.4
92.08572	1.1
93.07021	58.9
95.04940	3.1
95.08582	66.0
97.06505	2.9
97.10144	2.6
99.08072	1.0
105.07010	16.6
105.07661	1.1
107.08573	32.9
108.34538	0.6
109.06518	1.5
109.09385	1.2
109.10138	31.7
111.08096	1.4
113.09656	1.0
117.06995	8.0
119.08554	13.6
121.06503	0.8
121.10117	26.9
123.08048	0.9
123.11672	14.8
125.09673	0.8
129.06989	0.7
131.08540	17.7
133.10094	10.9
135.11667	18.3
135.26694	0.6
137.13275	4.9
145.10100	12.2
147.11652	8.1
149.13222	14.8
151.11220	1.5
151.14832	0.9
153.12770	0.8
159.11661	11.0
161.13208	5.9
163.14812	5.9
165.12704	0.9
173.13219	9.8
175.14816	2.9
177.16345	2.6
187.14757	4.5
201.16347	2.8
205.15854	1.1
233.22639	2.2
235.67708	0.7
243.21016	14.8
261.22067	48.9
279.23184	3.1
335.25751	9.9
353.26819	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	353.268
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60951	1.2
53.00286	1.1
53.03934	2.5
55.05504	18.5
57.03430	3.2
57.07045	3.1
65.03910	1.9
66.66721	1.0
67.05488	100.0
67.98425	1.2
69.07047	13.2
69.68463	1.1
71.04951	2.0
79.05471	55.6
81.07034	94.7
83.08589	7.7
83.80222	1.2
84.03553	1.3
85.06510	1.4
91.05457	29.6
93.07018	70.6
95.04945	6.9
95.08579	71.4
97.06511	2.6
97.10157	2.1
105.06996	20.6
107.08572	42.5
109.10136	29.0
117.06992	11.3
119.08557	16.2
121.10107	29.5
122.81406	1.1
123.11658	10.4
131.08525	24.6
133.10095	13.4
135.11653	26.6
137.09555	1.3
137.13231	2.6
145.10068	14.3
147.11664	11.2
149.13239	18.5
151.11203	1.5
159.11653	11.3
161.13232	10.5
163.14786	11.5
173.13231	13.9
175.14754	2.2
177.16454	1.7
187.14836	8.8
197.86246	1.4
201.16293	2.1
243.20981	22.6
261.22043	54.0
279.23010	1.7
335.25665	8.1
353.26758	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	353.1955
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	1.7
55.01862	4.4
55.05502	9.3
57.03421	5.8
57.07061	2.2
61.02908	5.5
64.76003	0.9
67.05493	10.6
69.03419	14.9
69.07055	9.3
71.04964	6.3
71.33649	1.1
73.02900	2.4
77.00797	0.9
79.05465	6.0
81.03397	8.6
81.07035	18.0
83.04964	1.6
83.08591	4.7
85.02416	1.9
85.02892	32.7
85.06528	11.2
87.04452	1.4
91.05463	21.1
91.22037	1.0
92.08701	2.0
93.07026	12.7
95.04939	12.4
95.08593	26.2
96.08939	7.7
97.02866	11.5
97.06513	4.7
99.04420	2.5
99.08083	2.2
103.05484	1.5
105.07014	36.8
107.08591	10.0
109.02848	2.2
109.06499	2.6
109.10141	7.6
110.10472	2.2
113.05970	4.2
116.11999	1.0
117.07008	5.7
119.04926	4.5
119.08564	55.2
120.08922	1.6
121.06538	1.2
121.10130	11.2
123.08060	1.1
127.03925	5.4
129.06993	5.9
129.09091	2.4
131.08543	49.4
133.10097	20.3
135.11691	1.2
137.09596	7.0
138.09921	8.8
142.62201	1.0
143.08498	8.8
144.09335	3.4
145.04950	5.2
145.10114	24.9
147.04381	8.2
147.11678	20.4
149.09633	1.5
153.09102	1.3
155.10649	7.7
155.14261	7.9
156.09415	1.1
156.11021	6.1
157.10068	2.5
158.10924	10.8
159.11667	1.5
163.14752	2.1
171.11630	1.7
173.11855	3.4
173.13222	100.0
174.12080	5.1
175.14786	53.9
191.14352	2.3
209.15335	2.3
210.54781	1.1
249.45442	1.2
305.32913	1.1
353.08298	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.134
Annotation	Unknow
Peak:m/z	Relative Intensity
51.96003	1.5
54.81620	1.5
55.01866	2.0
55.05504	1.9
56.96544	2.4
57.03425	3.4
61.02915	17.4
67.05488	9.4
69.03417	14.3
69.07054	2.0
71.04966	4.2
73.02898	3.9
74.93494	1.9
81.03423	4.2
81.07025	2.7
83.04958	9.7
84.04524	1.4
84.08110	1.7
85.02890	21.2
85.06537	10.5
85.52952	1.8
86.03223	1.9
86.09686	2.3
87.04451	2.5
91.03953	6.3
91.05467	4.2
95.04935	2.8
97.02888	11.2
98.06055	1.9
98.97546	3.3
108.81847	1.8
109.02853	2.9
109.06490	2.8
110.06039	8.1
111.04430	25.0
113.06042	2.3
114.05563	5.9
116.98598	8.6
117.06992	2.1
121.06516	6.8
127.03891	2.7
128.04262	2.5
128.07056	8.1
128.98558	2.2
129.05440	2.2
129.06915	2.6
131.04868	1.8
133.05147	1.9
134.06041	8.7
137.06009	2.2
138.05391	2.1
139.03857	6.2
144.08044	3.5
145.06500	13.2
146.05972	33.2
146.09566	2.1
148.07552	19.8
154.06526	2.3
155.07025	4.1
156.06511	35.3
156.07857	3.5
157.04982	11.3
158.05991	16.8
159.06813	8.4
160.07533	66.6
162.05481	22.7
170.06000	16.4
171.06752	4.1
172.03209	2.2
172.07536	100.0
173.08281	2.6
174.03688	2.0
174.05405	7.6
174.07610	42.7
174.09091	12.5
176.06995	29.3
182.05997	8.4
183.06764	10.7
184.07539	38.4
186.05458	56.8
188.06999	7.1
196.07524	17.8
198.05464	64.7
198.09158	9.7
199.06285	7.0
199.08644	11.5
200.07034	60.8
202.08638	7.3
204.06525	34.6
208.07559	3.3
210.05571	2.3
210.09119	2.9
212.07056	8.3
216.06558	3.2
217.07320	3.0
218.08096	24.1
221.09187	10.6
224.06972	6.7
226.08592	4.3
228.06531	14.4
236.07104	9.7
240.06572	3.2
242.08177	3.1
244.05876	13.4
244.09668	8.0
245.09151	27.9
246.07547	60.1
254.08176	7.8
262.10614	11.2
263.10226	27.0
270.07504	2.5
276.08536	1.8
282.07617	2.9
290.10474	2.7
299.10220	7.7
300.08554	9.4
309.01498	2.0
317.11325	6.4
318.09595	4.2
335.12485	3.3
336.10712	31.1
353.08408	8.6
353.13364	32.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	353.1226
Annotation	Plumbaside A
Peak:m/z	Relative Intensity
52.09702	2.7
53.00279	3.1
53.03930	3.6
54.81425	3.4
55.01864	6.1
55.05499	16.3
56.57692	2.8
57.03414	24.7
57.07051	6.0
58.22519	3.0
61.02913	3.8
64.71721	2.9
67.05496	16.2
69.03417	42.9
69.07047	86.5
70.35513	3.6
71.04978	8.6
71.08604	4.1
74.09207	3.0
76.61663	3.4
79.05454	15.6
81.03414	5.9
81.07031	94.3
82.07372	7.6
85.02876	39.5
85.06519	41.6
91.05461	13.9
93.07018	21.5
95.04979	4.1
95.08579	78.3
95.55853	3.7
96.08920	7.1
97.02846	5.9
97.06508	8.8
99.08060	6.4
105.07006	21.3
107.08571	23.0
109.06501	4.8
109.10114	25.3
110.10474	5.1
111.08054	5.5
111.11703	19.1
113.09637	18.0
114.10001	3.3
117.06995	5.4
119.04916	5.0
119.08549	17.2
121.06459	4.1
121.10119	15.7
123.04389	16.4
123.08012	4.3
125.09626	3.5
127.03871	4.3
128.06149	4.5
131.04930	17.9
131.08566	18.9
133.10095	17.8
135.08040	25.2
135.11687	4.9
137.09570	3.8
137.13240	21.9
138.13528	4.0
143.08505	4.4
145.06470	6.1
145.10107	22.5
147.04459	13.5
147.11705	5.3
149.05968	6.1
149.09578	8.1
151.03906	4.8
153.06935	13.7
155.08546	16.6
155.10641	18.7
155.14278	23.7
157.10167	5.1
159.08017	7.6
160.05125	4.0
161.05936	5.1
165.05534	4.7
165.06952	7.2
169.06538	4.2
169.10127	7.7
173.05968	14.6
173.09573	5.2
173.11824	8.0
173.13255	23.0
173.15318	22.6
174.06750	4.0
174.15735	4.1
175.03876	5.0
175.07480	43.8
177.05473	6.3
179.08546	32.0
181.10046	7.4
182.07202	4.5
183.07993	18.6
185.09668	4.7
187.07503	35.7
189.05447	13.1
189.09091	3.9
191.08514	5.0
191.14264	68.7
193.04967	16.1
194.07196	3.8
197.05989	14.2
197.09581	17.4
199.07501	15.8
200.08336	7.0
201.09077	94.5
207.08067	24.1
208.27866	4.3
209.09575	26.7
209.15239	6.0
210.06763	6.4
211.07570	23.6
215.10696	26.5
217.04735	3.7
217.08469	5.8
219.10173	7.7
225.05511	4.8
225.09050	100.0
227.10725	4.6
229.08545	34.0
233.07991	5.7
237.09138	6.9
238.06345	4.5
243.10161	25.3
245.08026	14.7
247.09462	3.7
253.08469	54.1
254.09215	14.4
257.08023	5.9
271.09485	41.4
275.08810	4.3
281.08014	17.7
289.10681	30.6
291.08670	4.4
299.09079	29.7
317.10153	7.5
321.09747	4.4
335.11166	15.7
353.15573	24.3
353.19440	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	353.0844
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
56.96547	3.4
59.52580	0.7
66.97318	0.8
84.96033	3.4
85.02888	1.3
86.01150	0.8
89.98118	0.9
98.97564	12.9
101.89650	0.8
105.25784	0.7
108.76378	0.7
110.97495	0.9
116.98590	6.2
124.99024	0.9
130.04918	0.9
131.00223	1.0
132.28271	0.7
134.99623	3.0
143.00172	4.3
143.01868	1.8
152.80540	0.9
157.01698	0.8
161.01125	1.6
161.02982	1.4
162.07561	0.8
173.02948	1.0
175.02754	0.9
177.06192	0.8
191.02209	1.1
237.02719	1.3
245.04930	0.9
251.04298	1.6
269.05359	6.1
277.05795	0.8
287.06531	1.1
293.05331	2.5
311.06396	15.3
329.07422	1.3
353.08380	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2328
Annotation	Unknow
Peak:m/z	Relative Intensity
50.02046	0.5
54.95864	0.5
55.01855	0.9
55.05495	2.6
57.03434	1.0
59.04984	1.3
61.02908	0.8
61.38762	0.6
63.13818	0.6
66.80759	0.7
69.03419	1.6
69.07051	9.1
70.63271	0.6
71.08612	79.3
79.05469	0.9
81.03385	0.7
81.07045	3.0
85.02889	8.4
95.08619	0.7
95.90678	0.7
97.02902	1.7
97.06509	3.2
99.08067	100.0
119.08569	0.7
129.12729	11.2
143.89828	0.8
155.14299	3.8
173.15326	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	353.0839
Annotation	7-Hydroxymethyl-12-methylbenz[a]anthracene sulfate
Peak:m/z	Relative Intensity
53.03926	2.6
54.81675	1.9
55.05486	1.9
55.70489	1.7
56.96545	2.1
57.03436	3.5
61.02898	4.8
67.05483	8.5
69.03406	14.4
69.07053	36.7
71.04981	3.6
79.05489	4.1
81.03407	4.1
81.07021	12.1
85.02890	25.8
85.06515	8.9
87.00816	12.6
87.08085	14.1
91.05460	4.6
93.07030	4.9
95.04953	2.8
95.08577	4.2
97.02866	9.8
97.06520	4.2
98.97551	3.5
99.08011	2.2
105.01861	8.4
105.09132	2.9
107.08556	3.4
109.02851	4.7
109.06490	9.5
109.10156	3.3
112.07630	2.2
113.06006	3.1
116.98584	4.8
127.03900	10.1
127.07488	15.6
128.07901	3.0
137.05911	4.5
137.09608	5.3
145.04913	2.2
147.04356	9.1
155.07025	14.0
173.08055	13.1
185.04190	10.5
191.03145	3.2
209.45758	2.4
311.06577	3.2
353.08316	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.34475	0.8
53.83328	0.8
55.05499	2.3
57.03418	2.0
57.07048	4.8
61.02919	1.4
61.05157	0.9
67.05489	8.9
69.03406	2.3
69.07054	10.2
71.04963	4.6
79.05465	5.3
81.03378	1.3
81.07040	100.0
85.02891	26.7
85.06533	1.9
91.05403	1.4
93.07029	2.5
95.08014	1.9
95.08588	54.5
95.93859	1.0
96.08923	1.3
97.02855	6.0
107.08588	1.1
108.08891	1.5
109.02892	1.5
109.10139	7.3
113.09634	5.4
114.55427	1.1
127.03909	4.1
130.06520	1.4
132.08032	2.5
135.11610	2.0
137.13234	94.8
144.08066	1.7
145.04942	6.7
151.03870	4.6
153.12790	1.3
154.13109	1.3
155.10626	6.9
155.14262	7.3
159.09137	4.8
163.05984	5.8
169.04951	1.2
173.11694	2.7
227.45889	1.1
265.43161	1.2
311.06357	1.4
335.13879	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75408	1.2
55.05500	9.0
56.05038	1.2
56.80069	1.2
57.03432	2.4
57.07071	35.0
59.04985	7.9
61.02923	1.7
61.55508	1.5
67.05488	10.6
69.03416	6.2
69.07056	14.9
71.04971	8.8
79.05479	2.8
81.03416	1.8
81.07041	45.7
83.08598	2.1
85.02894	20.3
85.06523	35.9
91.05487	1.6
93.07021	6.7
95.08581	41.2
97.02897	3.6
97.06509	3.4
97.10133	3.6
99.08074	3.6
102.25301	1.5
107.08588	5.4
109.02864	2.3
109.10114	18.1
111.11716	3.5
121.10065	2.2
127.08664	6.0
127.11116	2.2
133.10118	8.3
135.11685	3.5
137.09608	7.5
137.13239	41.3
144.08046	1.8
153.12727	1.4
155.10657	3.0
155.14285	100.0
172.66492	1.4
173.11737	2.6
173.15346	36.4
219.66385	1.4
241.42908	1.6
266.12927	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62348	0.7
55.01857	3.8
55.05507	6.2
57.03416	3.8
61.02906	1.1
62.01688	0.7
64.48965	0.9
67.05488	15.8
69.03406	3.5
69.07062	7.4
71.04981	11.5
71.51176	0.9
79.05484	2.0
81.03378	1.3
81.07026	7.9
83.04964	4.3
83.08607	16.6
85.02895	12.5
85.06522	10.2
90.92451	0.8
91.05433	4.6
93.07034	11.8
95.04940	4.7
95.08583	100.0
97.02855	1.3
97.06517	13.1
99.04430	12.7
99.08089	1.4
101.05992	1.0
102.35757	0.8
107.08579	4.4
108.08906	1.5
109.06486	1.3
109.10139	38.5
111.04417	1.3
111.08059	16.4
113.05982	11.4
113.09625	6.8
115.07526	1.8
115.57017	0.9
119.08554	9.8
127.03896	1.3
127.07513	3.5
129.09079	18.6
135.11655	3.6
136.12006	2.0
136.53961	0.9
137.05922	1.6
137.09592	61.9
145.04950	1.0
147.04445	0.9
153.09027	1.3
153.12637	1.3
155.07013	4.0
155.10638	89.6
173.08051	1.2
173.11702	42.9
182.82239	0.9
331.98532	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.196
Annotation	Unknow
Peak:m/z	Relative Intensity
50.46312	0.3
53.00283	0.3
54.81598	0.2
55.05495	1.8
56.96571	0.3
57.03419	1.8
57.07061	0.4
59.04979	0.4
61.02897	1.4
67.05492	8.5
69.03404	2.8
69.06712	0.4
69.07051	8.1
70.06573	0.3
70.07350	0.2
70.42774	0.3
71.04644	0.3
71.04977	4.0
72.37972	0.2
79.05458	1.3
79.34381	0.2
79.35005	0.2
81.03384	1.2
81.07033	4.8
82.07369	0.6
83.04950	0.4
83.08589	1.8
84.65433	0.3
85.02885	7.6
85.06528	0.5
86.03232	0.4
87.04494	0.4
91.05429	0.3
92.09417	0.4
93.07008	3.0
94.07330	2.0
95.04899	0.3
95.08575	5.9
96.08907	1.4
97.02847	2.0
97.06496	1.7
98.97542	0.5
99.04424	0.5
105.07023	0.6
107.08573	4.3
108.08900	1.8
109.02827	0.5
109.10136	100.0
110.06100	0.3
110.10471	1.2
111.08094	0.3
111.10797	0.3
113.09544	0.3
119.08582	0.6
121.10094	0.6
123.11677	1.8
124.06248	0.3
124.12061	0.3
127.03921	0.7
127.11164	29.3
131.08466	0.3
135.11624	3.1
136.11996	2.2
137.09592	1.4
137.12312	0.5
137.13269	1.4
145.04942	0.6
147.26457	0.3
151.03815	0.5
153.12761	0.4
154.13091	1.2
155.10638	9.3
155.13237	0.3
155.14342	0.3
158.56613	0.3
171.13792	0.4
172.14178	0.4
173.11687	21.4
180.08580	0.4
184.08502	0.3
360.72015	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1961
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16913	0.6
53.03930	0.7
53.81002	0.5
55.01867	1.2
55.05500	13.3
57.03426	9.2
57.07059	12.6
59.04985	9.6
61.02891	1.4
67.05135	1.3
67.05491	26.3
68.05829	1.0
69.03419	4.5
69.07051	30.7
71.04972	23.5
72.08154	1.0
73.06532	4.3
79.05455	6.6
80.05830	0.9
80.88461	0.8
81.06599	1.7
81.07040	29.8
81.35530	0.7
82.07359	3.1
83.04957	3.3
83.08607	25.2
85.02895	15.3
85.06528	33.1
88.63124	0.7
91.05464	5.0
92.63847	0.9
93.07011	16.9
93.78657	0.7
94.07352	2.9
95.04954	3.1
95.08582	39.2
96.08942	3.6
97.02894	3.5
97.06519	8.0
97.10154	3.3
99.04427	4.4
99.08070	7.2
101.06001	11.2
101.09660	1.7
105.06996	6.9
107.08566	11.2
108.08928	1.5
109.10140	93.7
110.10472	3.5
111.08060	3.9
111.11720	1.2
113.05987	27.5
113.09629	15.1
119.08559	6.4
120.08865	0.9
121.10130	12.9
122.10434	1.5
123.11674	3.9
125.09615	5.9
126.09935	1.2
127.03912	1.2
127.11180	8.2
128.11536	1.2
129.09088	36.3
131.08543	1.7
132.59956	0.8
133.10124	3.3
135.11688	4.9
136.12000	1.2
137.09593	9.7
137.13264	4.5
143.10657	1.6
145.04965	0.9
145.10118	1.4
147.11688	1.9
149.13235	4.3
151.11110	0.9
155.10638	100.0
161.13235	1.4
170.79578	0.9
173.11694	87.4
176.15089	0.7
197.15340	1.1
243.21043	0.8
261.22110	1.1
262.22430	0.9
279.23163	3.2
280.23447	3.0
291.60098	0.8
297.24200	1.2
298.24606	1.3
311.65469	0.8
378.04691	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47646	0.7
55.01846	0.7
55.05513	8.3
57.03416	5.1
57.07061	0.8
59.04986	1.7
59.19844	0.6
61.02904	1.5
64.00555	0.8
65.61512	0.7
67.05488	16.1
69.03416	6.1
69.03711	0.6
69.07052	7.8
71.04610	1.4
71.04974	29.3
73.02914	1.1
79.05447	1.3
79.40429	0.7
81.03412	1.1
81.07018	9.2
83.04955	0.8
83.08604	6.4
85.02889	16.3
85.06524	4.1
87.04458	0.8
90.88322	0.8
91.05453	7.0
92.64024	0.8
93.07040	12.7
95.04939	4.0
95.08582	99.7
97.02885	1.7
97.06518	7.3
97.10139	1.1
99.04436	7.8
99.08094	0.9
101.05981	1.1
107.08569	3.6
109.02856	1.3
109.06494	1.7
109.10139	57.6
111.08046	11.7
113.06002	1.8
113.09629	6.6
115.07555	1.9
119.04894	1.6
119.08563	15.8
120.08118	1.1
125.09623	1.2
127.07542	1.4
127.11171	32.0
129.09088	10.9
135.11673	1.2
136.12119	1.1
137.09589	59.1
147.04398	4.6
155.01564	2.7
155.10637	100.0
173.08107	0.9
173.11699	47.8
227.84601	0.8
310.66449	0.8
364.41086	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.1601
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	1.0
57.03421	0.8
57.96739	0.6
61.02909	1.0
61.51995	0.6
63.87278	0.5
67.05479	3.2
69.03412	1.6
72.31108	0.6
72.93767	0.7
76.56072	0.6
77.89836	0.6
79.05461	1.4
81.03413	0.7
81.07040	11.2
83.04984	1.0
84.03796	0.6
85.02897	7.0
85.06525	7.8
91.05450	0.9
93.07018	2.9
95.04941	3.7
97.02853	1.4
99.35123	0.6
103.09866	0.7
105.07029	0.7
109.06507	15.8
109.10152	1.1
111.04412	0.7
111.08069	8.8
113.05994	79.7
120.08067	0.9
123.04381	4.5
125.05972	1.1
127.07534	30.4
127.08470	1.2
137.05965	10.6
137.09563	0.8
155.07011	100.0
173.08063	40.6
178.97916	1.6
179.00154	1.1
194.97403	0.9
197.01257	4.9
212.98436	0.7
215.02359	2.4
238.99881	0.7
308.02209	1.1
348.25873	0.7
352.07944	2.8
353.08167	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	352.16
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.7
55.01862	1.2
55.05492	0.5
57.03428	0.9
61.02897	0.8
62.38497	0.5
67.05491	2.9
69.03411	1.3
70.76557	0.5
71.04977	0.7
74.09718	0.6
79.05476	1.3
81.03412	1.0
81.07044	9.0
85.02886	8.3
85.06546	4.0
86.09699	1.0
86.40718	0.6
89.45924	0.5
90.04102	0.5
91.05457	1.1
93.07014	2.3
95.04958	5.6
95.08602	2.1
97.02865	2.5
97.06493	1.0
99.04439	0.6
101.83679	0.5
105.07017	15.7
105.07658	0.9
109.02877	0.5
109.06502	9.8
109.10162	1.1
111.04434	0.9
111.08072	8.5
112.67651	0.5
113.05991	79.0
119.04903	0.7
122.09680	5.4
123.04426	1.4
125.06002	0.8
127.07518	11.5
137.05965	6.8
137.09618	0.9
155.07010	100.0
155.10626	2.2
173.08067	27.1
173.11710	0.9
179.00143	0.9
194.18529	0.5
196.99455	0.6
197.01250	4.4
212.98506	0.8
214.96313	0.9
215.02263	0.7
225.82512	0.7
237.02847	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2739
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39211	0.8
53.03931	1.3
55.01857	1.9
55.05266	1.5
55.05506	26.4
55.65596	0.7
57.03417	4.7
57.07054	4.0
59.04951	1.1
66.39326	0.7
67.05493	33.4
69.03389	4.3
69.07051	25.6
71.04974	11.3
71.49727	0.8
73.44256	0.8
74.69866	0.9
79.05054	1.2
79.05476	25.9
81.07040	100.0
83.04942	5.2
83.08607	10.6
85.02878	4.7
85.06528	10.1
87.00835	1.0
87.04446	1.1
91.05457	19.1
93.07027	67.8
95.04935	4.2
95.08585	85.6
97.02837	1.3
97.06527	7.2
97.10146	15.4
99.04439	1.1
99.08077	1.8
101.05987	3.8
105.03383	0.9
105.07011	27.8
107.08580	54.7
108.08900	1.3
109.06508	3.8
109.10144	47.9
110.10445	0.9
111.08073	9.6
111.11691	1.1
113.09604	5.2
115.07520	2.0
116.98629	1.0
119.08558	21.8
121.10122	56.0
123.08011	1.7
123.11686	15.9
125.09576	4.8
127.03856	1.1
129.09102	7.2
131.08521	8.3
133.10085	13.7
135.11670	35.3
136.12079	1.1
137.09647	2.8
137.13260	1.9
139.11185	1.9
143.08551	1.3
143.10664	1.5
145.10091	10.1
147.11664	16.0
149.13231	18.6
151.11133	4.3
153.12691	7.0
154.09413	1.9
155.10710	3.4
159.11662	8.2
161.13229	12.1
163.14772	8.9
165.12694	1.3
171.13750	3.6
173.13127	7.1
175.14801	5.9
177.16374	1.5
179.10896	1.2
179.14363	1.9
187.14809	7.6
189.14749	1.4
189.16380	2.1
197.05937	1.1
201.16370	2.2
203.17847	1.9
213.05457	1.0
213.09070	1.9
217.08644	1.1
223.07433	1.0
227.07123	1.0
241.08513	4.8
243.21051	13.9
261.22171	10.7
279.23151	27.5
287.08975	4.2
297.07629	1.3
297.24069	11.4
315.08499	1.0
315.25330	1.6
325.16522	1.1
351.10471	2.1
351.14127	6.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05490	0.3
58.02944	0.3
59.88500	0.3
63.91992	0.3
69.07048	1.5
71.43772	0.3
73.62193	0.3
79.05449	0.7
81.07037	1.3
83.04952	0.3
91.05471	0.5
93.07018	1.3
94.04158	1.4
95.08550	0.5
97.06509	0.5
104.85537	0.3
105.07029	0.5
107.04933	0.4
107.08568	0.4
107.48292	0.3
109.10143	0.7
114.09161	0.4
122.03609	4.8
128.57797	0.3
133.10152	0.5
135.11691	1.2
137.05957	100.0
147.11681	0.4
153.12709	0.5
170.15385	0.3
182.15370	2.1
189.51599	0.6
211.95697	0.4
250.87038	0.4
306.20554	4.7
347.73312	0.4
361.01950	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	5.7
55.05269	1.6
55.05507	28.5
57.03421	6.1
57.07059	6.4
61.02911	1.7
67.05485	52.9
68.94357	1.4
69.03410	7.9
69.07053	51.2
70.04243	1.2
71.04972	24.7
73.02896	2.1
79.05469	38.0
79.63757	1.2
81.03387	1.9
81.07036	100.0
83.04959	8.6
83.08611	13.7
83.45648	1.3
84.44124	1.4
85.02896	17.2
85.06517	22.5
85.88155	1.8
87.00796	1.9
91.05459	24.1
93.07021	70.4
95.04951	9.0
95.08584	81.2
95.09198	2.7
97.02860	2.4
97.06517	12.6
97.10134	8.0
97.80025	1.3
99.08064	7.5
101.06015	2.8
105.01859	2.7
105.07008	35.7
107.04893	1.6
107.08575	51.0
109.02850	2.5
109.06510	6.2
109.10136	92.6
111.08060	8.1
111.11687	3.5
113.09621	20.9
115.07552	5.9
116.46887	1.5
117.06962	2.2
119.08553	32.6
121.06438	1.9
121.10120	39.5
123.11662	19.7
124.89208	2.0
125.09602	7.4
127.03899	3.6
127.07568	1.9
127.11180	3.0
129.09109	7.7
131.08510	12.2
133.10089	22.0
135.08015	1.8
135.11668	34.4
137.09607	9.9
137.13249	8.3
141.12721	3.1
143.08545	1.8
145.04916	2.3
145.10075	17.5
147.04341	2.4
147.11653	20.1
149.13243	13.8
151.11201	2.4
153.12737	8.6
155.10609	11.5
159.11629	10.2
161.13205	11.4
163.14778	8.3
171.13766	11.8
173.11804	1.9
173.13235	7.0
175.14806	9.1
177.16345	2.4
183.01907	1.6
187.14871	8.3
189.12822	3.0
189.14838	5.6
203.17960	2.2
243.21089	15.0
261.22076	18.9
279.23187	19.2
279.32654	2.0
297.24182	15.5
315.25177	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	351.2526
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00307	4.4
53.03947	4.7
55.01850	6.9
55.05502	41.5
57.03420	30.9
57.07064	7.5
67.05489	95.6
69.07045	25.2
71.04951	4.2
71.08617	88.9
79.05466	61.2
81.03384	18.2
81.07033	92.8
83.04951	17.2
83.08606	18.1
85.06523	4.2
91.05474	48.4
92.09105	4.8
93.07024	100.0
95.04969	25.6
95.08579	60.4
97.06467	26.6
99.08087	25.7
105.06960	32.2
107.04916	16.6
107.08583	48.5
109.06480	6.6
109.10149	25.0
109.74843	4.1
117.06972	14.2
119.08559	48.2
121.10117	22.9
133.10170	20.9
135.11678	30.0
139.11179	5.0
145.10100	5.5
147.11690	8.0
149.13225	7.0
151.11122	30.0
161.13220	18.9
163.11113	5.7
179.14276	68.6
259.20334	5.9
266.08502	4.0
277.21640	37.6
348.38245	3.8
351.25293	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
51.12423	1.2
53.03931	2.8
55.05501	19.5
55.63198	1.2
57.03422	8.9
57.07067	3.3
65.03935	1.5
67.05489	38.4
69.07050	14.5
71.04975	3.1
71.30331	1.2
75.99129	1.3
79.05474	74.1
81.07031	42.9
83.04971	1.8
83.08607	7.5
85.06525	2.1
91.05457	60.8
93.06416	3.3
93.07018	100.0
95.04945	8.5
95.08579	29.3
97.10133	1.8
105.07007	62.4
107.08571	46.3
107.73875	1.6
109.10145	11.6
117.07018	12.9
119.08556	40.2
121.10124	26.9
123.08035	1.6
129.06966	10.0
131.08557	18.8
133.10114	31.9
135.08057	3.1
135.11662	27.0
143.08594	7.1
145.10086	16.3
147.11684	23.5
149.09607	1.9
149.13229	12.0
157.10095	2.7
159.11690	9.9
161.13213	17.9
163.14743	2.6
171.11682	8.9
173.13202	7.4
175.14732	7.1
185.13239	6.0
187.14751	1.6
199.14833	2.8
199.60919	1.5
231.21098	2.2
241.19435	12.2
259.20511	44.5
277.21619	6.4
282.47226	1.8
333.24298	2.3
351.25235	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	351.2525
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	4.0
54.81348	1.9
55.01817	1.6
55.05502	29.3
57.03422	14.2
57.07071	3.8
60.87822	1.9
67.05493	49.8
69.07054	14.7
70.75673	1.6
71.04969	2.8
73.36392	1.7
79.05476	86.3
81.03392	3.4
81.07034	56.9
83.04958	3.0
83.08604	9.1
85.02868	2.5
87.04600	2.0
91.05457	68.1
93.07015	100.0
95.04948	12.4
95.08584	33.8
97.06512	3.3
98.97538	2.9
105.07018	75.0
107.08572	52.6
109.10139	11.2
111.08070	1.9
116.98579	3.3
117.07003	19.8
119.08556	52.0
121.06481	2.1
121.10120	28.8
129.06966	8.1
131.00011	3.6
131.08562	19.1
131.09387	2.1
133.10092	35.3
135.11659	28.1
137.70473	1.7
141.92159	1.8
143.08546	10.3
145.10078	18.3
147.11653	31.6
149.13237	11.9
155.10481	1.9
157.10086	12.0
159.11679	14.0
161.13246	15.9
163.11153	2.3
163.14841	3.2
171.11684	14.3
173.13258	9.4
174.98932	2.6
175.14807	11.0
177.12794	2.4
185.13239	10.5
187.14801	2.8
189.00621	3.8
199.14772	4.0
213.16328	2.2
217.19389	1.9
231.20944	7.5
241.19475	16.4
259.20508	51.6
273.06198	2.5
277.21494	7.8
333.24371	3.5
351.25183	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2524
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	2.5
53.07531	1.3
55.05506	19.2
57.03427	11.2
57.07055	1.6
66.83768	1.5
67.05495	40.2
69.07063	11.6
71.04974	2.2
71.18248	1.4
75.04454	1.6
79.05476	67.5
81.07046	53.7
83.04961	2.4
83.08592	3.9
85.06525	3.1
91.04889	2.7
91.05455	60.7
93.07020	100.0
95.04923	6.3
95.08577	32.2
97.06559	2.3
105.07008	57.2
105.07655	2.8
105.36726	1.8
107.08580	53.7
109.06522	2.1
109.10148	9.5
111.08054	1.9
115.05432	2.3
117.07014	11.3
119.08556	43.3
121.10117	31.4
123.11726	2.3
129.06993	11.0
131.08502	16.0
133.10089	30.8
135.11668	25.1
143.08543	8.5
145.10121	16.4
147.11650	28.9
149.13208	13.5
157.10138	8.5
159.11679	12.2
161.13240	19.9
163.11208	2.3
163.14771	6.5
171.11678	7.4
173.13237	8.1
175.14787	10.5
185.13226	7.6
199.14732	2.4
215.17673	1.6
220.69632	2.0
229.81526	1.7
231.21060	2.0
241.19550	12.1
259.20483	51.2
259.22964	2.5
261.68561	1.6
277.21548	10.1
333.24359	2.2
351.25189	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	351.2011
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
53.00312	1.1
53.03916	1.8
55.01859	2.5
55.05503	10.9
57.03424	7.0
57.07059	7.5
59.04997	3.6
60.49086	1.3
61.02908	2.8
61.23758	1.2
67.05488	10.2
67.16292	1.2
69.03414	12.5
69.07054	34.4
71.04976	56.3
73.06541	8.6
73.29942	1.2
79.05473	17.5
81.03407	2.7
81.07037	55.5
83.08609	6.9
85.02880	29.8
85.06533	11.1
86.00364	1.4
91.05464	7.4
93.07021	46.5
93.07568	2.7
95.04938	2.2
95.08591	26.9
97.02853	7.9
97.06515	30.5
99.08037	5.3
105.07020	3.1
107.08585	42.7
109.06476	2.9
109.10151	30.5
111.08076	5.9
113.09643	6.4
119.08564	2.5
123.11662	19.7
125.09606	2.0
127.11188	6.0
135.11661	61.2
137.09605	7.8
139.03880	2.6
141.12724	48.0
153.09039	2.3
153.12715	100.0
155.10648	8.0
170.51611	1.5
171.13766	72.7
172.10510	2.0
173.11694	3.1
189.14789	13.4
351.13837	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.2006
Annotation	6,7-Dihydroxydihydrolinalool 3-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
51.01149	1.2
51.68186	1.1
53.00305	2.0
53.03926	1.2
55.05497	9.3
57.03425	10.9
57.07060	1.5
59.04972	2.1
59.57726	1.3
61.02908	2.1
67.05492	11.2
69.03412	5.2
69.07050	12.5
71.04971	53.0
72.08127	6.2
73.02873	1.3
73.06530	11.1
79.05468	9.0
81.03374	1.5
81.07037	51.1
83.08586	5.6
84.08123	3.1
85.02892	16.4
85.06528	9.4
86.09694	1.7
91.05453	5.8
93.07022	28.9
95.08570	10.0
97.02885	1.7
97.06500	7.9
99.04465	1.2
99.08073	2.5
99.85342	1.2
105.06961	1.3
107.08577	31.7
109.10136	35.8
110.10474	1.6
111.08102	3.2
113.09605	1.4
123.11681	19.0
127.11160	11.4
135.11670	49.1
139.03827	1.5
141.12721	60.1
144.21608	1.3
144.35143	1.2
153.12717	93.4
155.01572	2.9
155.10625	2.2
162.05457	1.6
171.13770	100.0
189.14812	12.5
365.98517	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
54.39718	4.6
55.27618	4.9
64.34075	4.8
69.07045	6.7
72.02305	5.1
78.09134	4.9
81.07047	7.1
83.08600	4.8
91.05450	6.0
93.07040	7.3
93.19019	5.2
97.10143	5.9
107.08572	8.4
109.10146	5.4
119.08585	9.7
123.26824	5.1
130.20705	4.7
145.25250	6.4
218.05638	8.1
219.06558	12.1
233.08057	70.9
235.05875	41.2
245.08087	7.0
247.06044	29.4
262.08502	8.7
279.08591	77.3
351.14224	100.0
351.21332	7.3
366.43781	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	351.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.5
56.96551	0.5
57.00790	0.5
57.07071	0.7
59.04976	0.7
67.05487	1.1
69.07041	1.0
70.06577	2.2
77.06641	0.5
79.05493	1.1
81.03381	0.8
81.07031	3.2
83.04942	0.7
85.02889	2.2
91.05454	3.3
93.07021	2.2
95.04963	1.2
99.04369	0.7
101.12887	0.6
105.06976	1.8
107.08561	1.2
109.06507	1.2
109.10141	1.0
112.66991	0.6
113.02377	0.6
119.04926	3.5
119.08540	0.8
121.06521	1.0
121.10120	1.9
123.11702	0.6
131.04930	0.7
133.06439	0.7
133.10066	0.7
135.04387	0.8
135.08067	0.6
145.06435	1.4
147.04382	8.2
147.11719	0.8
151.11159	0.6
161.05954	2.9
162.06737	0.9
163.07550	0.8
165.05484	2.6
167.07022	2.2
173.05960	2.3
173.11560	0.6
174.06699	1.1
175.07520	1.1
176.04634	0.6
176.73570	0.6
177.09039	0.7
179.03397	1.1
180.35141	0.6
185.05989	0.6
187.03818	0.8
189.05377	2.4
189.09106	0.9
190.06230	3.5
191.06998	3.5
193.04929	3.4
200.20137	0.7
201.05455	1.2
202.06230	0.8
203.03299	1.1
203.07019	3.3
204.04173	2.9
205.04910	2.9
205.08461	0.6
207.06512	0.8
213.09102	2.3
217.04909	2.8
217.08511	3.9
218.05658	3.0
219.03180	0.7
219.06462	12.0
229.04848	0.6
233.04451	0.9
233.08038	14.1
235.05948	50.3
241.08636	3.0
243.06352	0.9
244.22691	2.5
245.07976	3.9
245.23026	0.9
246.05240	2.2
247.05957	22.5
250.08310	14.5
251.05470	1.0
251.09039	4.6
259.09540	2.1
261.07587	2.7
264.06226	2.7
269.08047	2.6
272.06784	1.0
279.08572	100.0
280.08997	0.8
286.08316	2.4
287.09009	3.8
301.10638	2.4
324.28183	0.6
350.28915	4.1
351.14313	85.4
351.29276	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	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61274	0.8
53.03946	2.1
55.01866	1.7
55.05513	1.1
55.16911	0.8
56.46027	0.9
57.03426	7.0
61.02909	10.1
67.05495	3.4
69.03416	20.5
69.07083	1.7
71.04998	5.2
73.02904	3.5
79.05502	5.7
81.03395	10.2
81.03826	1.0
81.07029	9.1
83.04980	4.0
83.08595	1.0
85.02888	100.0
87.04470	1.4
91.03926	7.4
93.07027	23.6
93.59081	0.9
95.08586	8.7
97.02873	24.3
97.06527	1.0
99.04451	3.4
107.08572	35.9
109.02880	7.9
109.10134	14.3
115.03903	0.9
119.08589	0.9
123.11705	1.7
127.03877	19.2
127.04675	1.1
135.11668	41.7
135.12665	1.7
145.04938	23.9
153.12727	26.6
163.06013	8.8
173.22856	1.0
185.30661	0.9
264.39734	1.1
297.16919	15.9
315.17987	4.2
374.28638	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	3.6
55.05498	10.0
56.37444	1.6
57.03428	3.5
57.07045	1.9
59.04977	4.1
60.32508	1.7
61.02909	3.1
61.97392	1.7
67.05495	11.2
69.03411	10.6
69.07056	38.1
70.26771	1.9
71.04971	23.7
73.02895	3.1
73.06528	2.6
79.05493	13.7
81.07042	32.1
83.04974	3.8
83.08600	10.5
83.29353	1.8
85.02886	39.4
85.06538	4.3
86.03747	1.9
86.09694	8.2
90.54861	1.8
91.05463	9.7
93.07021	51.9
95.04950	2.1
95.08578	31.3
97.02869	8.7
97.06508	38.0
97.91060	1.9
101.56934	1.9
105.07010	2.8
107.08566	49.3
109.02848	2.3
109.06518	2.3
109.10130	27.0
111.08084	2.0
112.07582	2.1
115.15150	2.0
119.08518	2.1
120.08102	10.6
125.48208	1.8
127.03876	3.3
131.04890	2.3
135.11664	69.7
138.01239	1.9
145.04947	4.5
153.12717	100.0
171.13800	20.2
269.44495	2.1
344.16498	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00279	0.9
55.01871	1.3
55.05502	2.6
55.88570	1.0
57.03421	1.8
57.07068	1.6
59.04971	3.9
61.02926	1.6
64.12826	0.8
67.05492	2.6
69.03421	7.6
69.07057	14.5
71.04977	1.8
71.18997	0.9
73.02861	1.2
73.20685	1.1
76.55792	1.1
79.05480	12.1
81.03377	1.4
81.07027	11.6
81.68324	1.0
83.04970	1.7
83.08603	4.8
85.02888	22.0
86.09690	7.5
91.05454	7.1
93.07018	65.8
95.08575	35.6
97.02863	6.1
97.06502	32.4
105.07018	4.5
107.08573	80.2
109.10136	20.9
111.08080	2.0
111.11743	2.2
113.75471	1.2
119.08595	1.3
120.08080	4.4
123.11654	2.2
124.12046	2.6
124.15182	1.1
125.09598	1.5
127.03894	4.8
135.08128	1.1
135.11664	100.0
145.04947	4.8
153.09068	2.0
153.12720	85.4
154.73909	1.0
171.10159	2.0
171.13751	35.1
171.15108	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.217
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	1.4
53.03938	1.0
55.01849	1.7
55.05502	8.5
57.03413	3.8
57.07045	4.9
59.05003	3.4
60.04516	6.9
61.02911	4.1
61.04819	1.1
67.05472	5.9
68.05820	1.2
69.03416	8.2
69.07052	41.6
71.04973	30.8
72.08467	1.0
73.02863	1.4
73.06519	6.3
79.05472	12.4
81.03394	2.1
81.07033	48.0
83.08600	10.1
85.02888	42.2
85.06492	1.0
87.56165	0.9
91.05459	8.5
93.07017	44.6
95.04932	1.2
95.08595	9.3
97.02870	8.7
97.06519	3.9
99.04404	1.6
105.07032	6.9
107.07863	1.8
107.08570	41.3
109.02844	1.5
109.06464	2.0
109.10149	9.1
110.75532	1.0
111.08017	1.7
119.08639	3.0
121.10133	1.3
123.11767	1.3
125.13231	6.9
127.03856	5.8
133.10161	1.2
135.10651	1.9
135.11665	52.3
145.04915	5.5
153.12717	100.0
155.98804	1.0
159.77321	1.0
208.72806	1.0
227.70590	1.1
237.69794	1.0
309.29300	1.0
315.17902	1.8
350.28073	4.4
364.91336	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38203	0.6
53.03917	1.0
55.01849	0.9
55.05505	15.7
56.72320	0.7
57.03432	6.4
57.07051	1.2
58.79887	0.8
59.04972	5.4
60.76973	0.7
61.02896	5.2
63.35565	0.8
64.33918	0.7
67.05483	11.7
69.03409	7.3
69.07050	7.1
71.04976	14.0
79.05467	9.6
81.03376	3.8
81.07029	28.9
83.04954	3.9
83.08108	1.3
83.08594	21.7
85.02884	32.6
85.06500	0.8
85.94054	0.8
91.05465	6.0
92.08627	0.9
93.07019	65.2
95.04925	1.2
95.08582	45.1
97.02892	7.5
97.06499	28.8
101.09615	4.2
105.07002	3.9
107.08571	95.8
109.02843	3.8
109.06461	1.1
109.09375	1.8
109.10133	54.4
110.07126	0.9
111.08060	4.5
119.08518	1.6
123.11667	24.6
127.03867	3.9
127.11150	1.1
135.11662	100.0
138.43547	0.8
141.12715	1.9
145.04930	4.7
153.12704	47.7
171.10144	1.1
171.13768	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	350.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.8
55.01863	8.6
55.05504	6.6
57.03423	2.9
60.04495	1.8
61.02911	1.0
67.05490	14.8
69.03402	5.5
69.07045	10.8
71.04971	13.6
77.74101	1.0
79.05471	14.3
81.03398	0.8
81.07043	10.3
83.04928	0.7
83.08602	1.7
85.02888	12.7
85.06571	0.6
91.05437	3.3
92.09249	1.1
93.07021	39.4
95.04952	1.0
95.08581	50.0
97.02853	3.9
97.06506	100.0
105.07004	0.9
107.08572	41.2
107.09299	1.5
109.02847	0.9
109.10134	22.5
111.08070	1.4
123.11629	3.0
135.11662	81.1
145.04942	1.0
153.12715	42.6
158.68758	0.7
167.12296	0.8
169.12190	1.0
171.13757	43.1
186.87648	0.7
191.08104	1.7
195.47115	0.9
206.18893	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.3
55.01853	0.3
55.05504	2.9
57.03426	0.5
57.07051	0.6
59.04992	0.4
59.55492	0.3
61.02897	0.4
67.05491	2.8
69.03412	0.8
69.07057	2.7
70.06570	0.6
79.05471	6.3
81.07043	2.9
83.04961	0.4
83.23293	0.3
85.02890	4.0
91.05460	5.9
91.31020	0.4
93.07022	28.8
95.04935	1.4
95.08583	2.1
97.02853	1.4
97.06520	0.7
105.07021	2.5
106.21616	0.4
107.08576	49.3
109.02824	0.5
109.06458	1.2
109.10149	3.0
111.08051	1.5
117.07001	0.4
119.08542	2.8
125.09629	4.2
127.03848	0.4
133.10110	0.5
135.08020	1.4
135.11667	100.0
145.05080	0.4
153.09111	4.4
153.12721	4.6
171.10118	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	350.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.08622	1.0
50.67193	1.1
53.03927	1.0
55.01864	2.6
55.05504	6.2
56.96550	5.3
57.03432	2.6
57.07069	1.6
57.35602	0.9
59.04978	1.4
59.29847	1.0
61.02907	2.7
67.05480	10.3
69.03416	12.1
69.07050	4.9
71.04972	31.5
73.02924	1.1
79.05473	11.3
81.03410	2.6
81.07037	14.2
82.07397	1.1
83.04963	70.0
83.08601	1.3
85.02884	27.9
85.03357	1.5
85.06549	1.3
87.04417	1.2
89.01291	1.1
91.05434	8.5
93.07022	25.2
94.04302	1.0
95.04936	24.4
95.08602	4.3
97.02856	8.2
97.06515	2.4
98.97591	1.5
99.04439	5.1
101.05986	20.5
105.07003	2.7
107.04974	1.6
107.08574	75.6
109.06506	5.1
109.10151	15.3
111.04420	62.9
111.08048	14.5
113.05988	13.7
117.06985	2.3
119.08572	1.2
123.11700	1.5
125.09603	18.9
127.03902	2.3
133.10106	2.1
135.08032	14.3
135.11661	96.9
137.06000	1.8
138.05473	1.1
139.03979	4.1
151.11147	1.8
153.05457	6.6
153.09079	100.0
153.12677	1.9
163.51657	1.2
169.12192	2.5
170.12569	1.9
171.06499	2.2
171.10120	65.6
219.97783	1.3
246.04317	8.4
264.05270	5.2
360.00983	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83825	0.4
53.03939	0.4
53.39168	0.3
55.01866	2.0
55.05491	0.6
57.03408	0.9
61.02904	2.6
65.03926	7.5
68.99768	2.6
69.03415	5.2
71.04972	0.6
73.02939	0.4
79.57146	0.4
81.03390	3.5
83.04969	4.7
85.02890	19.4
93.03384	6.9
97.02853	6.2
109.02869	1.5
111.04427	46.5
121.02882	0.7
121.03963	2.7
127.03893	2.5
139.03882	100.0
145.04941	1.8
156.04198	3.1
171.06488	69.8
180.08609	0.6
203.53178	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1804
Annotation	Unknow
Peak:m/z	Relative Intensity
51.74800	1.0
52.02864	0.9
55.01869	1.3
55.05489	1.9
56.07564	1.0
57.03425	2.0
61.02916	2.0
67.05491	23.1
69.03423	8.7
69.04857	0.8
69.07061	1.9
70.06589	1.0
70.29766	0.9
71.04972	4.4
73.02898	1.4
79.05476	15.0
81.03397	2.1
81.07035	16.1
83.04960	4.9
83.08595	1.8
85.02896	18.6
85.06541	1.5
91.05477	5.7
93.07021	23.6
95.04948	35.3
95.08588	5.4
97.02890	5.4
97.06538	1.2
105.07014	1.4
107.08578	77.3
109.06516	1.9
109.10145	100.0
110.10478	1.3
111.08099	4.2
125.09611	43.1
127.03880	1.7
135.08006	11.4
135.11673	23.3
135.81839	1.0
144.75023	0.9
145.04955	1.7
153.09077	48.6
153.12746	3.8
158.12886	9.9
159.39252	1.0
171.10130	18.3
204.13290	2.0
241.30391	0.9
332.16968	1.5
350.17044	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03946	0.6
55.01841	0.6
57.03414	0.8
61.02899	2.6
65.03924	7.2
68.99773	2.7
69.03410	5.1
71.04987	0.6
73.29357	0.5
74.02316	0.5
81.03382	2.9
83.04967	5.5
85.02407	0.7
85.02885	19.4
86.44774	0.5
92.09274	1.2
93.03394	5.8
97.02865	5.3
100.07347	0.5
109.02863	1.4
111.04424	50.0
111.56373	0.6
119.33319	0.6
121.03950	3.2
121.60813	0.7
127.03904	2.7
139.03880	100.0
145.04942	0.7
156.04111	2.6
158.09953	0.6
169.04890	0.7
171.06482	69.2
205.04962	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	350.1263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	0.7
54.98936	0.6
55.01850	1.3
55.05498	1.4
56.96551	1.0
57.03417	2.7
59.04967	0.6
61.02903	4.2
65.03927	6.9
67.05482	6.1
68.99762	0.7
69.03412	9.2
69.07042	1.2
70.06567	0.8
71.04979	0.9
73.02867	1.2
75.03091	0.6
79.05465	4.1
81.03403	3.2
81.07026	5.6
83.04960	0.9
85.02890	18.8
87.04453	1.3
91.05462	1.6
93.07026	9.1
94.06573	1.6
95.04955	3.8
95.08569	4.7
97.02866	9.3
97.06477	0.8
98.97570	1.3
99.02669	10.2
99.04392	4.9
105.06979	0.9
107.04947	1.2
107.08570	10.2
109.02856	3.7
109.06478	2.5
109.10133	9.5
111.04432	3.8
111.08019	1.5
123.04391	5.6
123.08015	1.1
125.05974	1.5
125.09589	1.5
126.03699	4.2
127.03784	4.8
135.04391	1.6
135.08032	5.1
137.05968	0.9
139.03873	3.8
140.05264	4.2
145.04933	1.4
147.04420	0.7
151.03943	0.7
151.07547	0.9
151.11115	0.8
152.05269	100.0
153.05441	9.9
153.09090	12.7
154.06825	7.0
163.03961	1.1
169.12175	0.7
170.06320	25.9
170.07793	1.0
171.06500	1.2
171.10117	7.7
174.16397	0.7
179.00174	0.8
182.58838	0.7
185.01080	0.7
188.07419	9.2
188.08957	1.3
197.01158	4.3
215.02232	1.1
218.20479	0.6
227.02283	1.2
229.04814	0.7
237.00533	0.9
247.06175	0.9
255.01703	1.0
257.04404	0.8
314.07458	0.8
332.11508	10.6
350.09128	0.7
350.12741	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	350.1079
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83112	0.8
53.03922	1.4
54.22437	0.8
55.01855	1.7
57.03429	1.9
61.02898	5.6
61.57417	0.8
67.75819	0.7
69.03125	0.7
69.03414	11.0
69.88470	0.8
71.04977	0.9
73.02879	1.3
79.05467	0.9
81.03399	15.7
85.02891	42.2
86.46382	0.8
91.03935	1.5
97.02865	10.1
99.04413	1.7
107.01286	15.2
107.04916	4.3
109.02862	37.7
111.04418	5.3
123.04423	1.3
124.04727	1.3
125.02329	14.2
127.03893	64.5
135.00755	1.7
135.04366	0.9
139.03882	11.0
143.03351	1.2
145.04950	4.6
153.01805	51.9
153.05437	1.5
165.30389	1.1
170.07957	1.2
171.02847	100.0
171.06467	11.6
188.09164	1.5
193.98253	1.2
196.98253	1.2
227.24664	0.8
341.94589	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
50.40593	1.3
53.03947	1.6
53.22713	1.3
55.05503	16.4
57.07059	8.0
67.05507	13.7
69.07049	21.4
75.25099	1.6
79.05462	7.5
81.07040	17.0
83.04975	2.9
83.08595	10.6
91.05447	9.4
92.08745	1.8
92.09193	2.2
93.07024	23.3
95.04932	2.6
95.08573	17.6
105.07026	12.0
107.08585	25.6
109.06496	3.8
109.10150	9.8
112.45805	1.6
119.08571	23.8
121.06487	7.4
121.10137	14.4
123.08028	12.8
123.11682	2.1
131.08531	3.3
133.10097	17.2
135.08067	17.1
135.11639	11.4
136.08810	2.9
137.09526	3.1
140.72676	1.7
145.10077	8.8
147.08028	2.1
147.11742	6.0
149.09587	8.3
156.66997	1.7
159.11584	2.9
161.13109	2.3
163.11134	2.7
163.14810	3.9
173.13251	1.8
175.14774	3.6
177.12776	2.6
179.14328	9.2
189.16325	2.6
191.14290	15.3
203.17873	2.6
275.27164	2.0
303.26804	22.9
331.26224	100.0
349.23221	12.6
349.27206	3.1
364.25967	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2735
Annotation	17beta-Hydroxy-2alpha-(methoxymethyl)-17-methyl-5alpha-androstan-3-one
Peak:m/z	Relative Intensity
55.05507	14.6
57.07063	7.5
67.05493	11.2
69.07058	25.4
71.08604	2.9
75.40409	1.6
79.05459	8.2
81.07040	14.8
83.04977	2.3
83.08595	8.5
84.43163	1.2
86.24247	1.4
89.38440	1.3
91.05463	10.1
93.07002	16.4
95.08578	12.2
105.07008	5.9
107.08562	26.4
109.06498	3.1
109.10149	5.7
119.08549	41.3
121.06484	8.3
121.10122	17.7
123.08042	10.6
123.11689	3.2
131.08548	2.4
133.10109	17.0
135.08028	18.4
135.11652	9.4
136.08813	2.9
137.09579	6.3
145.10109	7.2
147.08037	51.5
147.11688	5.8
149.09581	11.8
149.13229	1.7
159.11667	7.9
161.13210	2.7
163.14783	2.5
173.13226	2.4
175.14813	6.4
177.12694	2.0
179.14278	6.0
187.14612	1.6
189.16266	1.8
191.14252	14.9
203.17908	1.8
219.17467	1.8
247.20798	1.9
259.90918	1.5
270.86575	1.5
275.27213	1.7
285.25714	2.2
285.76996	1.6
303.26682	20.1
331.26251	100.0
349.23224	2.0
349.27209	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2733
Annotation	6-Pentadecylsalicylic acid
Peak:m/z	Relative Intensity
55.01853	1.5
55.05505	10.0
57.07055	6.7
63.44610	0.8
67.05489	13.3
69.07060	14.5
78.24358	1.0
79.05463	6.5
80.89834	0.9
81.06600	1.2
81.07040	16.1
83.04976	2.0
83.08597	2.2
87.32748	0.9
88.07612	1.3
91.05437	4.0
93.07017	15.9
93.23129	0.9
95.04933	1.2
95.08582	23.0
97.06478	1.5
97.10116	1.2
105.07025	10.9
107.08577	23.6
109.06466	4.0
109.10152	10.3
111.47171	1.2
111.64577	0.9
112.11798	0.9
119.08561	24.6
121.06448	2.3
121.10110	17.0
121.78549	0.9
123.08041	17.2
123.11642	3.7
131.08537	5.8
133.10115	12.0
135.08038	12.0
135.11671	9.5
136.08812	4.8
137.09587	7.1
137.13252	4.2
138.18925	0.9
145.10094	5.6
147.11647	4.3
149.09584	6.6
149.13223	3.8
151.11125	1.2
158.10806	1.0
159.11627	4.8
161.13220	5.9
163.11115	2.0
163.14781	6.1
165.12752	4.1
173.13187	4.4
175.14772	6.4
177.12697	1.7
177.16360	1.4
179.14229	8.4
191.14278	12.0
222.05428	1.1
276.29358	1.0
285.25797	1.4
285.87512	1.0
286.30008	4.3
303.26761	33.7
331.26248	100.0
348.33673	5.0
349.27310	7.1
349.33755	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.2734
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
55.05498	2.6
57.07068	5.5
58.44804	0.6
58.94609	0.5
67.05486	2.6
69.07050	2.8
70.95859	0.5
71.08614	1.2
76.39199	0.5
79.05481	1.1
81.07026	4.3
83.08614	0.6
85.06525	2.4
90.91367	0.5
91.05464	0.9
93.07021	1.1
95.08586	6.3
95.09808	0.5
107.08582	2.1
109.06506	21.5
119.08537	1.3
121.10098	0.8
122.07258	1.1
123.08040	29.0
123.11653	0.5
126.38390	0.6
135.08035	2.7
137.60851	0.5
161.13191	0.6
179.14278	100.0
193.15849	2.7
302.88287	1.1
331.26044	0.9
349.27307	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	349.2732
Annotation	Aglatomin A
Peak:m/z	Relative Intensity
51.13868	0.8
55.01840	1.0
55.05501	10.1
57.07047	1.7
59.04958	1.1
67.05493	9.0
69.07054	18.2
71.04964	1.5
79.05472	5.2
81.07044	13.7
83.08590	6.7
91.05451	2.3
92.67829	1.1
93.07023	5.7
95.08589	12.2
97.06528	1.9
97.10134	1.2
105.06993	4.5
107.08572	8.6
109.06511	16.5
109.10130	5.4
111.08055	1.8
119.08539	4.8
121.10099	4.4
122.07219	1.2
123.08042	100.0
123.11626	1.9
133.10115	1.8
135.08017	9.4
135.11649	1.7
137.09613	5.9
145.10052	1.9
147.11679	2.4
149.09607	2.2
149.13211	2.1
159.11658	3.7
161.13184	1.1
177.12645	1.1
179.14236	2.6
260.58560	1.0
270.85672	1.0
293.21045	23.6
307.22556	1.3
331.26343	2.1
349.27304	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	349.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.8
55.05503	14.7
56.05026	3.0
57.03428	1.2
57.07058	1.9
60.04512	100.0
61.04845	8.4
67.05487	34.6
68.05811	4.6
69.03419	4.8
69.07050	61.4
70.06567	1.2
71.04975	2.1
72.04497	1.5
79.05484	20.9
80.04990	1.4
80.05809	1.9
81.07035	83.2
82.07388	2.2
83.04962	3.0
83.08603	9.1
91.05460	17.6
92.05796	1.9
93.07027	44.4
94.07360	5.8
95.04951	4.8
95.08581	80.8
96.08112	1.6
96.08888	2.2
97.06513	17.5
97.10136	4.6
99.08046	3.1
105.07006	22.9
107.08578	40.1
109.06480	8.8
109.10133	38.4
109.10848	1.9
110.10535	1.6
111.08076	6.3
115.07598	2.0
116.17892	1.5
119.08566	19.3
121.06440	1.5
121.10116	25.6
122.10465	1.5
123.08024	11.2
123.11691	16.4
125.09588	6.7
131.08560	2.9
133.10110	21.7
135.11684	16.1
137.09610	2.4
137.13210	1.7
139.11168	12.0
143.08557	2.3
145.10161	2.7
147.11679	10.6
149.12119	2.0
149.13225	23.5
151.11169	7.5
151.14809	8.0
153.12724	2.1
157.10094	1.3
159.11629	2.1
161.13211	18.3
163.14749	5.2
165.12747	1.4
173.13231	2.0
175.14799	9.8
179.14264	13.2
181.15796	2.2
185.13290	2.6
189.12601	1.8
189.16342	1.8
191.14304	1.7
197.15395	3.1
203.14285	6.2
211.36012	1.2
221.15385	1.6
231.21019	6.4
241.19579	2.9
242.10307	1.4
249.22118	2.2
259.20529	12.5
276.23303	1.4
277.21515	40.7
295.22571	61.0
313.23492	26.3
330.26395	5.7
331.26593	15.3
348.27374	15.8
349.27728	43.7
356.54385	1.3
372.34314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.258
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54729	0.9
51.81928	0.9
53.00289	1.4
53.03924	1.9
54.81136	0.9
55.01838	1.8
55.05499	15.5
56.08979	0.8
57.03420	1.5
57.07045	6.5
59.04977	0.9
59.38658	1.0
60.04503	4.3
61.02900	1.2
67.04095	0.9
67.05489	24.9
69.03404	2.2
69.07050	44.0
71.04972	11.3
73.06532	1.4
79.05470	14.2
81.07035	51.5
82.06532	1.2
83.04959	4.2
83.08590	15.4
85.02874	6.2
85.06525	50.0
91.05446	12.7
93.07021	68.7
95.04935	5.0
95.08579	87.6
97.06499	2.2
97.10127	1.1
99.08051	5.4
100.07557	1.1
100.11235	19.6
105.07001	12.0
107.07862	1.7
107.08567	43.8
108.08887	1.5
109.06483	5.3
109.10136	71.9
110.10420	1.4
111.04410	1.7
111.08073	13.2
119.08559	9.0
121.10126	24.9
123.10786	1.6
123.11675	42.5
124.11990	1.3
125.09589	1.5
127.03931	1.4
131.08496	1.8
133.10130	10.3
135.11656	7.9
137.13229	1.3
139.07539	4.1
139.11072	1.2
141.11427	1.2
143.08545	1.8
145.10118	1.8
147.11650	7.2
149.13229	100.0
151.07550	1.3
151.11116	2.6
151.14774	1.4
153.09152	1.0
153.12720	4.6
157.08582	1.9
159.11627	1.5
161.13185	4.6
165.12773	1.2
167.14278	49.6
169.12224	4.8
170.12532	6.3
175.14793	5.8
182.15361	4.3
185.13300	1.7
195.13675	1.7
203.14249	1.5
210.14804	2.0
211.13266	1.9
213.17783	2.3
221.15257	1.6
231.20946	3.9
241.19402	2.5
249.22125	1.5
259.20450	8.1
276.72711	1.8
277.21536	23.7
295.22617	39.4
313.23645	6.5
340.26154	1.2
343.30569	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	349.2581
Annotation	Dodecyl glucoside
Peak:m/z	Relative Intensity
55.01862	1.8
55.05503	14.7
56.05026	3.0
57.03428	1.2
57.07058	1.9
60.04512	100.0
61.04845	8.4
67.05487	34.6
68.05811	4.6
69.03419	4.8
69.07050	61.4
70.06567	1.2
71.04975	2.1
72.04497	1.5
79.05484	20.9
80.04990	1.4
80.05809	1.9
81.07035	83.2
82.07388	2.2
83.04962	3.0
83.08603	9.1
91.05460	17.6
92.05796	1.9
93.07027	44.4
94.07360	5.8
95.04951	4.8
95.08581	80.8
96.08112	1.6
96.08888	2.2
97.06513	17.5
97.10136	4.6
99.08046	3.1
105.07006	22.9
107.08578	40.1
109.06480	8.8
109.10133	38.4
109.10848	1.9
110.10535	1.6
111.08076	6.3
115.07598	2.0
116.17892	1.5
119.08566	19.3
121.06440	1.5
121.10116	25.6
122.10465	1.5
123.08024	11.2
123.11691	16.4
125.09588	6.7
131.08560	2.9
133.10110	21.7
135.11684	16.1
137.09610	2.4
137.13210	1.7
139.11168	12.0
143.08557	2.3
145.10161	2.7
147.11679	10.6
149.12119	2.0
149.13225	23.5
151.11169	7.5
151.14809	8.0
153.12724	2.1
157.10094	1.3
159.11629	2.1
161.13211	18.3
163.14749	5.2
165.12747	1.4
173.13231	2.0
175.14799	9.8
179.14264	13.2
181.15796	2.2
185.13290	2.6
189.12601	1.8
189.16342	1.8
191.14304	1.7
197.15395	3.1
203.14285	6.2
211.36012	1.2
221.15385	1.6
231.21019	6.4
241.19579	2.9
242.10307	1.4
249.22118	2.2
259.20529	12.5
276.23303	1.4
277.21515	40.7
295.22571	61.0
313.23492	26.3
330.26395	5.7
331.26593	15.3
348.27374	15.8
349.27728	43.7
356.54385	1.3
372.34314	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1853
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	2.3
55.01855	5.7
55.05499	17.0
57.03422	8.5
57.07067	1.8
59.04975	2.1
60.53138	1.4
61.02896	8.2
61.36774	1.3
64.33273	1.5
65.03944	1.6
67.05486	23.4
69.03411	21.2
69.07044	15.8
71.04606	2.5
71.04974	37.7
73.02875	2.0
79.05456	19.9
81.03398	11.2
81.07031	100.0
83.04955	16.5
83.08588	8.2
85.02885	62.2
85.03366	3.2
85.06508	16.3
87.04439	3.5
90.34664	1.4
91.03955	1.7
91.05446	18.9
93.07011	41.3
95.04959	8.1
95.08578	18.3
97.02860	22.1
97.06531	5.9
97.10118	2.2
98.97570	1.5
99.04424	2.7
99.08064	10.7
100.45618	1.5
105.07003	36.2
107.08570	32.3
109.02866	3.9
109.06473	8.4
109.10137	55.3
111.04384	2.8
111.08061	7.9
113.05954	2.2
121.10098	3.1
122.62671	1.7
123.08027	6.9
123.11681	34.8
125.09569	3.6
127.03918	10.8
127.07508	2.1
127.11175	7.3
131.08522	2.4
133.10098	27.9
139.11166	6.8
145.04927	6.1
151.11150	29.3
153.09061	3.6
153.12759	2.7
157.12193	3.0
169.04906	2.1
169.12187	46.9
171.10066	5.8
185.04137	6.7
185.10710	1.9
187.13214	18.3
187.28590	1.7
213.48605	1.6
231.11169	2.4
253.27173	1.6
276.91931	1.8
349.08829	22.6
349.12970	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.1852
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.7
53.03923	3.2
55.01846	5.4
55.05509	11.0
56.96544	1.9
57.03413	7.7
57.07066	2.1
59.04972	5.3
61.02902	11.5
67.05493	13.8
69.03416	25.3
69.07051	24.5
71.04974	34.4
73.02885	2.4
75.90456	1.2
79.05480	14.5
80.16325	1.0
81.03403	11.4
81.07035	100.0
83.01330	1.3
83.04951	7.3
83.07995	1.2
83.08562	2.7
85.02888	81.6
85.06510	6.4
87.09361	1.4
89.06014	1.5
91.05458	3.0
93.07014	10.4
95.04939	3.1
95.08590	15.2
97.02868	23.7
97.06511	11.5
97.10155	1.4
98.97556	5.2
99.04413	2.9
99.08066	10.5
105.07012	5.9
107.08573	17.3
109.02851	5.5
109.06481	5.9
109.10144	21.0
111.08056	6.4
111.11713	7.7
113.05992	1.7
120.08090	2.2
121.08440	2.1
121.10094	7.7
123.08045	5.5
123.11675	48.9
125.09591	2.4
127.03873	7.5
133.10107	6.0
139.03853	6.8
139.11150	19.2
145.04892	5.6
147.04416	1.5
148.14288	1.4
151.07542	5.6
151.11176	19.7
152.07835	2.0
157.12213	14.7
163.03847	1.2
169.12196	66.4
177.00742	1.3
187.13234	30.7
203.07489	6.8
203.57698	2.2
231.11290	2.1
331.12689	1.7
349.08853	77.1
349.12933	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	349.0889
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30089	0.7
52.88765	0.6
53.03938	1.0
54.72870	0.6
55.01864	1.4
55.05494	4.7
57.03415	4.1
59.05012	0.8
61.02907	1.7
65.03925	0.7
67.05486	4.6
69.03421	8.9
69.07047	4.3
69.29950	0.6
70.06566	1.0
71.04971	7.0
72.08152	0.8
79.05474	5.0
81.03400	4.5
81.06591	1.3
81.07038	21.6
83.01364	0.7
83.04961	1.8
83.08583	0.7
83.74646	0.7
85.02890	23.2
85.06056	1.3
85.06532	20.9
86.03226	0.7
86.06867	1.4
91.05462	3.2
92.08745	0.9
93.07023	6.5
95.04929	6.4
95.08585	9.4
97.02867	5.7
97.06487	3.4
98.97573	1.6
99.08059	1.7
105.07013	3.7
107.08567	12.2
108.08920	0.9
109.02863	1.9
109.06511	4.3
109.10128	8.4
111.08080	3.4
120.33270	0.9
121.10112	1.7
123.08004	3.7
123.11649	11.3
124.08358	0.7
125.09621	1.9
127.03871	3.4
133.10106	4.7
137.05910	1.0
139.11186	4.2
141.09033	1.3
145.04890	1.2
147.04378	1.7
149.57591	0.8
151.07549	1.4
151.11166	11.0
169.08589	3.4
169.12190	14.1
187.13237	3.8
231.11446	1.0
338.28143	1.0
349.08865	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	349.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.0
55.01865	6.1
55.05489	1.7
57.71433	0.4
66.28600	0.4
67.05492	3.0
67.62885	0.3
69.07043	0.8
70.36521	0.4
70.61795	0.3
71.44630	0.3
79.05481	3.7
81.03397	27.7
81.07038	4.6
83.01318	5.6
85.06519	0.5
91.05450	5.1
92.08588	0.5
93.07024	2.5
94.04166	3.2
95.04933	0.9
95.08562	2.5
97.06493	0.4
99.04453	0.6
101.72861	0.4
102.08686	0.4
105.06998	3.6
107.04928	2.3
107.08562	3.0
109.02865	8.5
109.06490	2.1
109.10158	0.7
110.03639	0.6
111.04415	0.4
111.20820	0.4
117.07026	1.4
119.04951	3.2
119.08556	2.9
121.10134	0.7
122.03621	7.7
123.04440	0.5
123.08018	0.4
125.05961	2.7
126.26934	0.4
127.03898	0.7
131.04944	0.7
131.08540	1.0
133.10091	1.7
135.04370	6.2
135.08066	0.5
136.05136	1.8
136.35925	0.4
137.02338	12.3
137.05951	100.0
139.00249	4.0
145.06410	0.4
145.10077	0.9
147.11658	0.5
149.09613	0.5
150.06732	12.8
151.03847	0.5
151.07549	6.9
157.01254	2.1
161.05878	0.5
165.01801	3.6
173.05945	1.0
173.13257	0.4
183.04355	0.9
187.07538	0.7
193.01305	10.1
201.05408	0.6
211.02377	2.0
215.06932	0.5
218.05818	0.5
229.04921	1.0
243.04759	0.6
269.12390	0.6
317.06479	29.3
335.07526	9.7
349.09091	3.1
349.15659	0.5
349.19791	4.2
349.23660	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2743
Annotation	Broussonetine M1
Peak:m/z	Relative Intensity
54.81547	0.7
55.01860	0.8
55.05490	4.1
56.05016	2.7
57.03421	0.7
57.07053	0.8
59.04991	0.7
60.04513	100.0
67.05489	13.5
69.03406	1.0
69.07042	4.2
70.06575	1.2
72.04489	2.8
74.06059	3.0
78.18900	0.6
79.05473	11.1
81.03411	1.5
81.06580	0.7
81.07031	19.3
82.06533	1.1
82.34056	0.6
83.08598	3.0
85.02900	1.1
90.05535	0.9
91.05462	9.4
93.07029	12.7
94.06558	1.1
95.04942	6.8
95.08590	11.3
96.08082	1.3
105.07033	6.5
105.07622	0.9
107.08571	7.7
109.06485	6.6
109.10133	6.5
111.08048	0.7
112.07589	0.8
116.07066	1.0
117.06980	1.4
119.08537	4.1
120.08042	1.0
121.10117	10.1
123.08047	3.0
123.11691	11.4
131.08521	2.7
133.10107	5.4
135.11664	2.9
139.38321	0.6
145.10144	1.4
147.11670	2.9
149.13261	0.9
151.11151	12.0
151.20268	0.7
157.10147	0.7
161.13266	0.7
169.12206	6.7
229.40965	0.8
276.23248	1.1
294.24185	3.2
312.25284	6.3
317.20636	0.8
330.26291	15.9
348.27368	53.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2738
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	8.2
55.05268	2.8
55.05503	45.4
56.82675	1.7
57.03411	4.4
57.07047	2.2
58.59774	1.7
59.04984	2.2
67.05490	100.0
69.03403	3.4
69.07048	33.7
71.04960	8.2
71.08620	18.9
79.05465	41.1
81.03401	2.5
81.07037	85.1
83.04941	8.7
83.08601	41.2
85.06500	2.2
88.45176	2.4
91.05455	28.4
93.07021	63.5
95.04918	7.6
95.08595	32.7
97.06488	12.9
97.10144	28.2
99.08068	14.2
99.41123	1.9
105.07020	14.2
106.99061	2.3
107.08568	37.5
109.06473	3.0
109.10142	47.4
111.08038	11.4
111.08753	2.1
117.06990	4.9
119.08537	12.8
121.10101	17.6
123.07994	2.5
123.11652	4.6
125.09628	16.2
131.08540	9.0
132.38068	1.8
133.10133	18.7
135.11670	15.7
137.09583	3.7
137.13329	1.8
139.11192	2.4
145.10115	2.6
147.07982	2.5
147.11676	4.8
149.13239	28.9
151.11159	11.9
155.10625	3.4
159.11708	13.9
161.13194	2.7
163.11124	2.7
165.12708	2.7
173.11671	38.2
177.12733	9.1
179.14195	2.9
189.11162	13.3
195.13792	44.9
213.14810	39.9
269.12012	2.6
277.21600	33.5
295.22595	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	348.2018
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10950	1.1
50.45647	1.2
55.05502	1.5
57.03405	2.1
57.07072	3.0
58.08296	1.7
59.45678	1.4
61.02890	1.6
67.05482	8.7
68.38636	1.5
69.03407	2.6
69.07058	15.8
77.19478	1.6
81.03396	1.8
81.07040	24.6
81.97764	1.5
85.02899	15.5
91.05458	1.7
95.08584	3.9
97.02834	2.6
100.11250	2.2
107.08584	14.8
109.10144	13.1
123.11697	64.0
125.09556	2.5
131.98161	1.5
135.08043	8.1
151.09941	3.1
151.11171	78.5
153.09090	15.7
169.12216	100.0
185.76720	1.7
227.59723	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.92258	0.2
61.02906	0.3
67.05177	0.4
67.05494	4.0
69.03432	1.0
79.05474	0.6
81.07039	3.7
85.02892	3.6
91.05443	0.7
93.07021	1.2
95.04957	3.5
95.08567	0.6
97.02852	0.6
99.04438	0.5
105.07001	1.3
107.08575	9.5
109.06509	3.7
109.10143	100.0
110.10471	0.3
115.93712	0.3
123.08054	0.7
123.11699	5.4
127.03902	0.3
133.10091	3.8
149.19867	0.3
151.11166	42.9
162.86690	0.3
168.30138	0.3
169.12207	16.3
179.37177	0.3
303.53528	0.3
331.17358	0.4
348.19992	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.09773	0.3
55.01860	0.6
55.05497	1.5
57.03427	3.0
57.07055	1.7
57.07351	0.3
58.27275	0.4
59.04987	6.4
60.04515	2.8
61.02905	1.9
64.41082	0.3
67.05490	7.4
69.03418	2.5
69.07055	3.4
71.04975	11.0
73.06523	1.8
75.31857	0.3
79.05469	1.4
81.03397	0.8
81.07036	18.6
83.05005	0.3
83.08596	1.4
85.02370	0.8
85.02887	21.9
85.06499	0.6
87.04405	0.4
91.05444	1.3
93.07024	6.2
95.04963	3.3
95.08597	3.9
97.02872	1.6
97.06500	3.2
97.10143	0.5
99.03835	0.6
99.04440	10.8
103.72926	0.3
105.07011	1.5
107.08579	8.3
109.06483	3.3
109.09388	0.6
109.10141	23.4
111.08064	27.8
113.06014	3.4
121.10108	0.7
123.08049	7.2
123.11681	44.5
125.09612	5.6
127.03909	1.5
133.10106	3.8
141.12715	5.9
145.04935	0.7
151.11154	14.9
169.12199	100.0
177.67340	0.4
218.79846	0.4
331.17456	2.4
348.27338	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.201
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
57.07047	0.2
57.68241	0.1
61.02912	0.3
67.05495	4.3
69.03403	1.0
69.07037	0.2
79.05463	0.9
81.03381	0.2
81.07035	4.3
85.02891	3.4
91.05448	0.4
93.07053	0.6
95.04937	3.3
95.08575	0.8
97.02863	1.1
105.07027	1.2
107.07858	0.4
107.08572	8.9
109.06509	3.9
109.10135	100.0
110.10464	0.7
121.10088	0.2
123.08035	0.6
123.11681	5.6
127.03889	0.7
133.10107	4.9
136.38193	0.2
145.04982	0.2
149.23526	0.1
151.11156	40.4
152.11456	0.2
169.12196	18.0
192.61066	0.2
193.25487	0.2
197.07355	0.2
244.89072	0.2
288.88644	0.2
331.17438	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1651
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.1
55.01854	1.3
57.03417	2.9
57.82616	0.5
57.96281	0.5
61.02906	3.4
67.05482	0.7
69.03122	0.7
69.03419	10.2
70.06564	0.6
71.04966	1.2
73.02891	0.9
79.05466	2.8
81.03394	3.8
83.01324	1.3
85.02888	31.4
86.04137	0.5
86.09662	2.1
87.04437	0.8
91.03930	0.9
95.04932	3.7
97.02868	8.1
99.04408	1.0
105.03354	1.3
107.04939	100.0
109.02851	2.8
111.04430	1.2
120.08093	1.1
121.06477	0.8
123.04414	17.2
125.05953	9.0
127.03895	4.4
133.02826	6.7
133.06468	2.4
135.04384	2.4
135.05397	0.7
136.06134	5.2
140.07048	1.1
145.02832	0.9
145.04942	4.3
148.00473	0.6
151.03885	31.2
151.07527	6.0
158.30698	0.6
163.03883	7.3
168.06511	2.3
169.04930	24.8
169.08487	0.5
173.05864	0.8
173.12735	0.8
180.08670	0.8
181.41924	0.5
186.11195	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01855	0.3
57.03418	0.3
57.89430	0.2
61.02916	0.8
67.05483	0.3
69.03400	1.3
73.02889	0.4
75.07974	0.2
79.05476	0.4
81.03408	0.4
81.07008	0.7
85.02893	5.4
91.05455	3.9
93.01363	0.2
93.07025	4.8
93.85982	0.2
95.04925	1.2
95.08571	0.3
97.02888	1.5
103.05448	2.7
105.07001	0.4
108.05670	0.3
109.02815	0.4
110.03645	0.2
111.49052	0.2
119.04869	0.7
121.06489	3.0
122.95457	0.2
123.04392	0.2
123.08036	3.8
125.05968	0.9
127.03863	0.8
133.06476	1.2
133.10138	0.2
134.86798	0.2
136.05186	3.2
145.04903	0.2
149.91365	0.2
150.51384	0.2
151.07518	100.0
153.05487	0.8
154.05864	0.3
169.08565	5.7
174.19173	0.2
175.07475	1.4
175.30637	0.2
182.10205	0.2
185.08034	0.8
186.08417	0.9
193.08571	1.8
205.08585	0.4
217.08597	1.1
221.52243	0.2
235.09451	0.3
277.10678	0.5
295.11722	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.165
Annotation	Unknow
Peak:m/z	Relative Intensity
50.24063	0.2
52.90660	0.2
53.03925	0.3
54.71671	0.2
55.01851	0.6
57.03421	0.5
60.04508	0.3
61.02909	0.6
69.03425	1.2
72.76922	0.2
79.05448	0.3
81.03397	0.6
81.07016	0.4
85.02892	5.6
91.05459	4.6
93.07024	4.4
95.04935	1.3
97.02859	1.6
99.04439	0.3
103.05457	2.8
105.07011	0.3
107.08575	0.3
109.02859	0.4
109.06512	0.4
114.02808	0.2
119.04890	1.1
121.06453	2.6
123.08053	3.7
125.05952	0.6
127.03924	0.5
133.06424	0.5
135.88246	0.2
136.05197	2.5
141.09041	0.3
151.07523	100.0
153.05414	0.5
154.05891	0.3
165.09087	0.4
169.08553	6.3
175.07503	1.0
185.08092	0.4
186.08418	0.5
192.05893	0.3
193.08577	1.3
202.06335	0.3
205.08623	0.5
217.08530	1.2
225.89233	0.3
235.09721	0.3
247.09555	0.4
277.10806	0.5
295.11685	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	348.1648
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51975	0.4
51.54345	0.4
53.03936	0.8
55.01852	1.8
56.96544	0.5
57.03421	2.6
60.04491	0.4
61.02925	3.3
62.68656	0.4
63.38336	0.3
63.38705	0.4
69.03416	8.6
73.02889	1.8
74.60529	0.4
75.61092	0.5
77.25867	0.5
81.03412	3.9
81.07040	0.9
82.15083	0.5
85.02891	29.0
86.03169	0.5
91.03916	0.8
91.05462	23.3
91.55486	0.5
95.04955	4.4
97.02872	8.7
98.97594	0.5
99.04432	0.7
109.02831	3.3
109.06467	0.5
109.73182	0.4
119.04914	20.8
120.08085	2.8
123.08002	1.9
127.03931	5.0
136.05162	2.1
136.28311	0.4
137.05989	2.4
139.03896	0.6
145.04916	3.4
151.07523	100.0
152.07771	0.5
161.06059	0.6
165.09102	1.1
169.08588	7.3
180.08633	0.9
193.46725	0.5
203.07513	3.5
212.77150	0.6
243.09003	0.6
277.10654	0.9
295.11694	0.8
349.08780	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	348.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01842	0.4
57.03415	1.2
61.02902	1.4
61.58673	0.2
63.91945	0.2
67.05499	2.3
69.03419	2.8
70.11143	0.2
71.04946	0.3
73.02880	0.4
75.57710	0.2
81.03376	1.1
85.02892	9.4
85.23706	0.2
95.04936	3.5
97.02882	3.0
99.04421	0.4
105.03385	1.3
107.04935	0.7
109.02869	0.6
113.75961	0.3
123.04407	100.0
127.03885	0.5
139.03908	0.4
145.04976	0.6
151.03880	15.5
164.56941	0.3
169.04924	21.1
184.02847	0.3
273.53235	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15491	3.4
52.29584	3.4
55.05495	26.1
55.73764	3.5
57.47164	3.3
59.04982	5.6
60.63303	3.5
60.95841	3.3
64.32939	3.7
67.05487	20.5
69.07056	100.0
79.05472	29.5
81.07041	87.5
83.04957	4.7
91.05455	16.6
93.07018	56.9
95.08576	53.6
99.30421	3.4
101.48473	3.8
105.07015	27.1
107.08599	37.8
109.10134	25.5
111.11696	47.6
113.09628	3.9
114.86517	3.7
119.08544	34.5
121.10114	53.6
126.07237	4.0
133.10103	27.3
135.11671	25.7
139.11101	5.1
145.10121	5.8
147.11649	9.1
150.96899	6.8
159.11713	8.4
161.13284	5.9
163.14729	4.6
173.13152	5.2
175.14748	33.9
177.16309	6.3
187.14900	5.1
208.00793	4.3
240.90869	8.0
258.87595	6.0
281.21851	4.2
288.13498	5.6
300.88550	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	347.219
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07068	3.3
64.14353	2.3
68.05118	2.5
70.06576	5.1
79.05482	3.7
80.85379	2.5
81.07032	4.8
88.07607	12.8
91.31232	3.0
93.07016	4.5
95.08568	3.8
100.48321	2.5
105.07029	4.4
107.08541	5.1
133.10040	3.0
159.11632	3.9
193.04941	3.8
197.04436	4.9
284.29431	13.0
285.29712	13.8
323.12750	2.7
346.33176	14.1
347.21838	100.0
347.27759	4.4
347.33273	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	347.294
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	30.3
57.07063	7.8
67.05479	39.9
69.07044	37.4
71.04992	7.0
74.44151	6.1
79.05490	27.2
81.07042	100.0
91.05477	15.5
93.07020	79.5
95.08585	91.0
99.08091	9.3
105.07034	49.0
107.08575	65.0
109.10147	40.4
114.16571	5.8
118.19265	6.7
119.08573	43.3
121.10139	54.4
123.11667	10.2
133.10078	48.8
135.11684	23.7
147.11690	12.1
159.11604	9.4
161.13182	7.3
163.14807	7.9
189.16261	7.7
210.13885	6.1
252.65274	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	347.2191
Annotation	Cortexolone
Peak:m/z	Relative Intensity
57.07061	1.8
67.05480	3.5
71.08633	2.2
81.07020	3.1
91.05459	3.1
92.09339	4.0
93.06998	3.7
95.08569	3.1
98.12678	1.8
107.08576	2.9
109.10104	1.8
119.08542	1.7
145.10069	2.0
154.35350	1.7
157.10066	1.6
159.11699	1.7
234.15413	1.7
307.62039	2.0
347.21820	100.0
347.26035	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05492	1.3
56.05017	1.9
57.07051	5.5
59.52544	1.0
60.04512	2.1
64.54880	1.0
71.08599	1.4
74.06060	1.5
75.55177	1.2
81.07037	2.5
88.07633	10.2
91.05467	18.9
93.07012	1.7
94.44484	1.1
95.08558	1.8
109.10139	1.2
109.63156	1.2
118.08661	1.4
145.10112	1.4
149.02348	2.4
189.31744	1.1
193.04965	10.6
224.65729	2.0
226.26570	1.3
298.30869	1.3
346.33066	5.3
347.21841	100.0
347.33408	6.8
352.06287	1.2
357.47858	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.219
Annotation	Cortexolone
Peak:m/z	Relative Intensity
55.05502	3.0
56.96544	1.7
57.07063	3.9
64.34179	1.7
67.05468	2.5
67.23556	1.4
69.07030	2.7
70.04237	1.4
70.06564	4.2
73.02896	1.8
79.05467	2.8
81.07034	9.9
88.07639	2.1
93.07030	10.2
95.08572	8.6
97.02824	2.7
98.97569	1.7
105.06996	7.7
107.08553	4.3
112.99105	1.8
119.08549	2.2
121.10092	3.5
133.10089	3.3
145.10086	2.3
149.01208	7.3
149.02283	2.0
156.03577	4.4
159.11636	2.8
167.02199	3.8
181.66051	1.7
189.07678	1.8
347.17474	6.9
347.21835	100.0
347.33264	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	347.1672
Annotation	Gly Arg Asp
Peak:m/z	Relative Intensity
62.99971	0.4
65.81900	0.4
67.05505	0.4
69.03397	0.5
71.04972	1.0
79.05466	1.0
81.07032	2.6
85.02900	0.9
93.07030	1.1
95.08592	0.9
107.08577	2.4
109.10105	0.5
121.10142	2.6
148.39243	0.6
149.09674	0.5
167.10571	0.9
185.11514	3.6
185.15440	0.6
278.99695	0.5
316.36157	0.4
331.12958	0.5
347.16702	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1334
Annotation	3,4,5-Trimethoxyphenyl beta-D-glucopyranoside
Peak:m/z	Relative Intensity
58.73431	0.4
61.37373	0.4
62.92780	0.3
65.03921	0.4
67.05485	0.6
67.24951	0.4
68.75532	0.4
68.99783	0.7
69.03413	0.6
71.41028	0.4
72.54475	0.4
75.04471	0.4
77.97134	0.4
79.01862	0.4
82.04169	1.9
85.02879	2.2
91.05453	0.7
93.03387	0.7
95.01330	3.2
95.04939	0.5
109.02846	0.7
110.02916	0.6
110.03648	16.5
111.04451	3.9
121.10092	0.5
123.04394	1.9
124.05174	0.5
125.05969	64.0
127.03881	4.1
139.03877	14.5
140.04680	0.7
141.05449	0.4
153.05444	99.5
154.06226	40.8
155.03333	2.9
155.06984	1.7
156.04152	0.6
167.07169	0.5
170.05713	10.6
185.08058	100.0
234.02011	0.6
347.16104	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.3313
Annotation	Unknow
Peak:m/z	Relative Intensity
53.99244	0.5
54.82119	0.5
57.06816	0.8
57.07070	16.0
58.06589	2.9
69.07054	0.6
70.06201	1.3
70.06575	28.7
71.08611	5.6
72.08147	0.8
81.72890	0.5
85.10160	1.3
85.92663	0.5
86.09689	0.7
87.91004	0.6
88.07614	33.8
102.08502	1.0
102.09162	25.7
132.10205	2.4
132.20056	0.6
146.11798	0.8
150.11166	0.8
240.26712	0.9
284.29419	67.3
328.32031	3.4
330.26569	0.6
346.33096	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	347.1309
Annotation	Nordercitin
Peak:m/z	Relative Intensity
50.44045	0.7
54.81580	1.0
55.05490	1.8
55.75027	0.7
58.31809	0.6
58.90759	0.7
60.22066	0.8
61.25434	0.7
69.03398	1.8
83.04946	0.7
85.02886	5.5
93.07024	1.6
97.02875	1.8
107.08549	1.1
151.07529	1.1
154.96080	0.9
167.06960	3.7
185.04164	1.1
185.07874	4.8
190.08585	2.0
197.06276	1.0
203.05275	3.8
301.12527	31.1
347.13040	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75431	1.6
53.03938	4.0
55.05503	18.3
57.03422	8.2
59.04980	13.0
61.02898	11.9
62.04848	1.9
62.30370	1.7
64.33424	1.8
65.32484	1.6
67.05479	9.4
67.53447	1.6
69.03415	25.1
69.07068	3.3
71.04975	3.3
72.08160	1.9
73.02922	4.1
79.05479	20.4
81.03376	8.1
81.07027	34.3
85.02892	70.1
87.04449	31.2
91.05480	18.3
92.08642	6.4
92.63864	2.4
93.07023	77.7
95.04928	4.8
95.08591	15.7
97.02864	21.2
97.06509	11.7
99.04436	8.1
105.07018	23.4
107.08572	8.5
109.02858	2.3
109.10168	2.4
111.04430	4.0
111.08113	16.1
114.54750	2.3
119.08552	9.2
119.89442	2.0
121.06467	3.7
121.09253	4.3
121.10118	100.0
123.08054	4.3
125.05952	2.7
127.03872	8.5
131.08533	13.3
133.10150	2.4
139.11162	10.7
145.04935	4.6
149.09604	26.0
167.10649	31.9
199.34459	2.0
199.46667	2.2
275.20074	3.6
363.04422	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	346.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
51.39671	1.1
53.03938	2.3
54.81715	1.6
55.01855	5.9
55.05502	39.0
57.03428	6.0
59.04982	3.0
64.10133	1.6
66.04386	1.3
67.05489	84.9
69.03412	3.4
69.07050	41.9
71.04982	6.2
79.05469	48.3
81.03374	2.8
81.07034	100.0
83.04950	11.2
83.08601	30.8
84.15268	1.5
85.06509	6.2
91.05457	38.7
93.07021	62.2
95.04915	7.2
95.08576	42.1
97.06503	12.3
97.10140	17.9
99.08034	2.5
105.07003	31.9
107.04928	6.2
107.08575	49.9
109.06501	9.0
109.10133	34.9
111.08086	3.2
117.06992	14.7
119.08556	21.2
121.06493	2.8
121.10114	19.5
123.11685	6.8
125.09605	18.0
129.06993	1.6
131.08534	15.1
133.10097	26.0
135.11652	14.2
137.09584	6.1
145.10124	6.5
145.13249	1.5
147.11638	12.6
149.09570	12.9
149.13200	19.1
151.11192	2.7
155.10640	3.4
157.10075	2.1
159.11676	13.6
161.13234	2.3
163.11160	2.3
165.12698	2.3
171.11615	1.9
173.11729	27.1
173.13123	3.9
177.12724	6.6
179.14270	2.4
189.11186	7.4
195.13734	28.7
197.13164	2.4
213.14801	27.9
217.15677	1.5
229.19489	1.6
239.17929	2.1
257.18958	3.0
275.19998	57.1
293.21085	14.2
350.60666	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02383	0.3
53.03936	3.4
55.01854	2.0
55.05498	1.0
56.96548	0.9
57.03415	2.5
59.04983	0.5
59.26978	0.3
60.04502	2.8
60.20376	0.3
61.02906	2.9
69.03410	7.2
70.06565	0.5
71.04976	2.1
72.08140	3.8
73.02892	2.3
75.04434	0.9
77.03895	0.5
79.05478	1.9
81.03394	2.6
81.07032	0.5
83.01324	3.1
84.08092	0.6
85.02885	27.8
86.09686	0.9
87.04446	7.0
91.03920	0.8
91.05453	4.8
93.07006	0.6
95.04387	0.8
95.04938	9.6
95.08595	0.7
95.97784	0.4
97.02879	7.4
98.97549	0.5
99.04438	2.8
101.02324	0.6
105.03373	100.0
105.04515	2.5
105.06994	0.6
107.04937	64.9
107.08595	0.5
109.02866	2.6
110.53061	0.5
111.00753	2.2
115.03896	4.2
116.06224	0.7
116.98537	0.5
119.08507	0.6
121.06474	0.8
123.04401	4.7
124.07534	1.6
127.03898	4.2
129.01817	0.7
129.06996	0.4
131.04939	1.6
131.08540	61.8
133.04921	0.8
143.03392	4.3
145.00513	0.4
145.04909	3.2
149.05946	1.9
149.09601	15.6
161.04469	0.5
163.03928	1.0
163.05928	0.5
167.07014	0.8
173.05949	1.6
175.06398	1.0
180.08626	0.6
184.09686	0.6
215.10637	1.0
237.06551	0.7
257.11526	0.5
265.07178	0.6
275.12811	0.7
311.07568	2.4
346.25861	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14932	0.2
55.05485	1.0
56.47421	0.2
57.07067	1.6
59.04995	0.2
61.02888	0.3
67.05476	0.4
69.03400	1.1
69.07038	1.0
70.06583	0.2
71.01341	2.8
74.06042	0.5
79.05468	1.8
81.05638	0.2
81.07044	0.9
83.04958	1.2
85.02895	2.4
85.06559	0.7
86.09699	1.9
91.05456	1.6
93.07017	3.4
95.04916	0.4
95.08578	0.9
97.02872	1.7
97.06499	1.3
97.10153	2.6
101.07132	0.3
103.05443	0.5
104.23801	0.2
105.07003	8.4
105.07655	0.4
106.07786	0.4
107.04940	0.4
107.08549	2.1
109.06532	0.8
111.04424	6.8
111.08051	1.1
119.08553	2.3
121.06457	1.0
121.10113	100.0
122.10430	1.0
123.08046	3.5
125.05969	0.3
125.09598	0.9
129.06876	0.3
129.59058	0.2
131.08521	4.2
133.07602	1.1
137.09554	1.1
139.11143	3.1
149.09589	4.6
167.10629	32.8
168.10895	0.2
175.37622	0.3
187.14374	1.2
215.13947	0.5
234.98920	0.5
272.65454	0.2
291.69659	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1703
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20914	0.7
52.80526	0.7
53.03919	0.9
55.01857	0.8
55.05491	5.1
56.45042	0.8
57.03427	34.0
57.07067	7.7
59.04990	24.6
61.02909	25.2
67.05148	1.2
67.05488	27.4
69.03412	35.5
70.35426	1.0
71.01330	1.6
71.04975	22.3
73.02895	30.1
73.06524	1.8
75.04459	21.5
81.03404	1.7
83.04959	53.5
84.08123	24.2
85.02889	20.5
85.06535	16.8
87.04442	11.0
89.06010	14.9
91.03925	12.0
95.04945	18.7
97.02814	2.9
101.05978	1.6
113.05981	67.8
114.36877	0.9
114.63937	0.9
127.03876	1.1
127.07249	1.2
130.08607	27.9
131.07013	100.0
149.08069	41.9
167.09111	64.6
183.76192	0.9
247.42247	1.1
317.59723	1.0
326.82840	1.0
346.08109	5.7
346.12195	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01860	2.3
57.03437	8.4
61.02922	11.6
69.03416	23.1
71.04967	1.3
73.02895	6.1
81.03395	7.8
85.02894	100.0
86.09688	1.4
87.04436	2.6
91.03929	5.3
97.02876	24.7
97.03436	2.1
99.04446	2.2
101.02257	1.4
105.03371	14.9
107.04944	59.9
109.02864	7.8
121.02859	5.6
121.06468	2.3
127.03905	13.8
127.71154	1.4
131.04932	2.1
145.04951	15.3
149.05977	30.2
166.08601	1.4
167.07034	14.8
173.05975	2.0
180.08559	9.8
184.09673	1.5
215.07056	2.6
219.01445	1.2
233.07809	1.5
275.08987	2.6
346.15036	4.9
348.84213	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
55.01873	0.3
56.96538	0.2
57.03420	0.5
59.40324	0.2
61.02912	1.4
65.03922	0.5
67.29044	0.2
69.03413	3.0
70.06568	1.6
71.01347	0.3
71.04977	0.4
73.02917	0.5
79.02855	0.2
81.03403	1.2
84.08121	1.9
85.02884	4.7
86.09683	0.5
87.04422	0.4
92.04977	1.1
95.04936	0.3
97.02856	1.6
98.97542	0.3
99.04507	0.3
100.07622	0.3
109.02916	0.3
110.06024	0.4
114.03735	0.2
119.04867	0.2
120.04431	1.5
121.06481	0.3
127.03876	0.5
130.08658	0.3
138.05472	7.0
138.06525	0.4
143.03175	1.1
148.03903	51.6
152.05643	1.0
154.04988	0.4
166.04956	100.0
167.05344	0.5
167.06882	0.3
184.06004	54.1
202.06714	0.3
209.12880	0.3
246.14555	0.3
312.67239	0.3
345.53162	0.3
346.11172	4.5
362.72192	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	346.113
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.5
56.96557	0.4
57.03421	0.5
61.02900	1.1
65.03916	0.5
69.03412	3.5
70.06594	0.4
72.08173	0.2
73.02887	0.6
75.04447	0.3
76.61705	0.3
81.03391	1.2
84.04470	0.3
84.08116	1.1
85.02878	4.5
86.09672	0.5
87.04440	0.4
87.91389	0.3
90.94800	0.3
92.04993	0.6
97.02856	1.7
101.02348	0.4
103.34103	0.3
109.02832	0.3
111.04423	0.4
116.07056	0.3
120.04428	1.7
121.06503	0.3
127.03889	0.5
129.48442	0.3
130.08640	0.3
132.53839	0.2
138.05469	7.4
143.03119	0.6
148.03906	53.6
149.04332	0.3
152.05692	0.4
154.04951	0.3
166.04956	100.0
167.05371	0.3
184.06009	63.2
185.06357	0.3
195.45374	0.3
346.11172	5.6
346.14990	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	3.1
61.79494	2.4
67.05466	5.4
69.07045	3.7
70.06580	2.6
75.00092	2.3
78.44791	2.7
79.05454	3.6
81.07025	18.4
88.07606	4.6
88.41779	2.8
91.05460	3.9
93.07008	15.9
95.04970	4.1
95.08578	6.7
104.99244	3.9
105.07021	7.1
107.08566	19.4
109.10130	11.7
111.26958	2.8
119.08545	15.5
121.10133	6.7
131.08521	4.0
133.10046	10.3
145.10147	4.9
159.11655	5.3
171.01381	25.0
171.14430	2.9
173.13182	3.7
327.18042	18.2
337.46988	2.8
344.34811	3.8
345.20294	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.2784
Annotation	Unknow
Peak:m/z	Relative Intensity
51.06150	2.8
53.03952	5.1
55.05501	15.3
59.04983	4.1
65.45515	2.9
65.89886	3.0
67.05490	77.8
69.07043	22.2
71.04986	5.6
79.05453	26.0
81.07034	82.2
83.04958	6.6
86.40196	3.5
91.05454	22.0
93.07008	66.7
95.04905	4.6
95.08578	54.2
102.84787	3.8
105.07018	45.4
107.08570	47.8
108.96739	3.3
109.06531	4.5
109.10136	100.0
119.08537	46.4
121.10121	56.4
123.07993	4.1
123.11577	4.0
131.08510	8.2
133.10127	21.9
135.11688	28.3
137.09618	28.4
145.10063	18.6
147.11650	17.0
149.13245	5.0
159.11671	15.4
161.13200	8.3
173.13235	8.8
175.14842	27.2
178.58157	3.7
199.14737	4.2
201.16351	5.0
219.17427	4.1
309.25769	5.4
327.27014	7.0
345.27832	18.4
363.28369	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	345.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47407	2.9
56.98408	3.5
58.38744	3.0
66.33402	4.1
67.05485	6.4
69.07039	5.2
79.05445	5.6
81.07037	20.0
91.05454	13.9
93.06999	18.2
95.04997	3.2
95.08578	6.7
105.07014	17.2
107.08566	7.5
109.02637	27.4
109.06472	4.9
119.08541	7.0
121.10097	4.7
123.04138	13.6
131.08551	5.6
133.10007	4.1
135.11652	5.4
145.10062	4.0
159.11572	4.7
224.22958	3.3
229.11940	14.8
245.15063	100.0
259.16614	32.0
304.94492	3.4
345.20349	41.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1905
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.7
54.29771	0.4
55.01862	1.0
55.05506	4.0
56.96548	0.5
57.03431	2.3
57.07065	3.7
61.02915	3.3
63.47629	0.4
66.65314	0.6
67.05490	3.9
69.03414	18.7
69.07050	22.9
71.04984	2.7
71.08606	0.7
73.02886	0.5
75.22916	0.5
79.05483	6.2
81.03411	4.6
81.03849	0.5
81.07040	41.0
83.04976	8.0
83.08604	1.3
85.02884	16.3
85.03370	0.9
85.06532	8.9
86.09740	0.7
86.74960	0.6
87.04446	0.6
91.03951	0.8
91.05457	4.2
92.08653	0.6
93.07033	5.7
94.62785	0.5
95.04948	2.5
95.08583	11.5
97.02872	3.9
97.06511	3.1
99.04425	7.8
99.08070	23.6
105.03366	0.7
105.07011	5.5
107.08568	10.0
109.02892	0.8
109.06509	10.8
109.10143	5.2
111.08068	2.6
113.05977	3.3
114.25481	0.5
117.09085	0.6
119.04929	0.6
119.08548	4.7
121.10127	18.9
123.08037	6.0
123.11691	10.3
125.09616	15.9
127.03877	1.3
127.07533	4.5
130.58087	0.5
131.08504	0.6
133.10100	0.8
137.09579	5.6
137.13229	2.7
139.11165	16.9
141.09135	0.5
145.04871	1.0
147.08047	2.4
147.11713	3.7
149.15710	0.6
153.12706	0.7
165.09071	0.7
165.12718	9.5
172.04041	0.5
178.84232	0.6
183.13774	100.0
204.06577	0.6
215.81407	0.7
326.30185	0.5
345.18668	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.1695
Annotation	Unknow
Peak:m/z	Relative Intensity
50.40920	0.4
57.03420	0.9
60.04516	1.3
60.60845	0.5
67.05482	0.7
69.07046	0.8
78.47646	0.5
79.05467	3.4
81.07050	0.9
91.05440	4.5
91.70486	0.6
93.07035	2.2
94.04155	1.1
95.04945	0.7
95.08569	0.9
103.05448	9.9
105.06998	0.9
107.08580	2.0
109.06495	1.0
109.94559	0.5
115.05408	2.1
117.06992	6.0
119.04901	2.6
119.08575	0.9
121.06464	4.9
121.10130	0.5
122.03607	3.3
123.08047	3.0
128.06177	1.0
131.04909	22.9
135.08031	1.0
137.05949	51.4
143.08528	0.7
143.65012	0.6
143.74910	0.6
145.06464	1.1
149.05966	0.9
149.09599	1.3
151.07506	15.2
157.43768	0.6
162.06723	5.3
163.07504	26.1
171.07980	1.1
175.07497	4.2
177.09070	100.0
195.10132	5.6
221.11732	4.2
224.08345	0.5
265.49976	0.7
291.14545	0.6
299.12500	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0966
Annotation	Araneol
Peak:m/z	Relative Intensity
55.05493	2.1
57.79713	1.7
66.54701	1.5
67.05478	7.6
69.07044	3.2
69.83290	1.6
71.04959	2.5
79.05466	6.7
81.07038	13.0
85.06529	2.2
91.05447	7.9
93.07015	7.5
95.04955	3.4
95.08585	3.7
98.12569	1.6
105.07005	9.3
107.04884	2.0
107.08560	7.3
109.02859	1.7
109.06485	3.0
109.10131	3.1
109.13242	1.6
110.94090	1.5
119.08539	3.0
121.10112	1.9
123.11668	2.3
131.08560	2.0
133.10092	3.9
134.10417	2.2
137.81558	1.8
145.10019	2.2
147.11694	2.5
151.03859	3.5
163.77696	1.7
191.51784	1.9
195.06538	9.8
231.06468	12.7
246.21547	1.8
259.05917	13.6
287.05295	15.4
299.05185	2.3
301.06876	6.9
302.07831	3.6
314.03873	2.9
315.04895	22.0
329.06372	28.3
330.07251	100.0
345.09604	96.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0788
Annotation	Lepidimoide
Peak:m/z	Relative Intensity
50.94092	1.2
51.51004	1.0
57.03408	3.1
61.02934	1.4
63.32253	1.4
63.87951	1.3
69.03403	8.6
71.04970	2.5
73.02892	2.4
75.04449	2.0
81.03369	3.3
82.37274	1.5
83.04952	3.1
85.02888	24.2
86.03210	6.2
93.97470	1.3
97.02829	1.9
102.95901	1.3
109.02856	1.9
111.04424	5.1
112.04775	1.5
123.05500	2.9
129.05473	2.6
129.13689	1.3
130.05777	1.5
138.99977	4.8
147.06500	9.2
148.06796	1.4
153.05266	1.7
184.72174	1.5
211.05791	5.4
229.06796	17.9
249.79524	1.8
327.06851	15.2
345.07828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	345.0788
Annotation	Unknow
Peak:m/z	Relative Intensity
53.77082	0.6
55.01861	0.7
55.05493	0.7
57.03415	3.3
58.03740	0.8
61.02905	2.7
69.03422	8.1
69.41560	0.6
70.03728	1.0
70.06569	1.0
71.04977	5.5
73.02899	1.4
75.04468	1.2
81.03397	5.7
83.04974	5.3
85.02412	1.2
85.02889	20.7
86.03211	3.9
87.04465	0.8
87.64075	0.7
97.02826	3.5
99.04433	1.7
109.02850	3.0
111.04415	3.8
127.03857	3.5
129.05476	4.7
139.00000	4.9
139.22505	0.8
145.04947	0.7
147.06473	4.8
148.06805	1.1
153.01637	1.3
153.05235	1.1
165.05772	0.9
165.07558	2.9
181.01059	0.8
211.05751	5.8
229.06798	16.9
294.45163	0.7
327.06827	21.4
345.07840	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.2792
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	2.0
53.03931	2.7
55.01866	10.9
55.05507	41.4
57.03424	9.0
57.07069	5.1
67.05492	77.7
69.03408	5.2
69.07062	31.0
71.04978	5.1
71.08595	17.0
72.55097	2.2
79.05475	54.7
79.51512	2.0
81.03387	5.1
81.07040	100.0
83.04958	25.8
83.08614	20.9
85.06544	4.7
91.05473	40.6
92.19460	2.2
93.07023	81.0
94.15453	2.3
95.04955	14.2
95.08591	46.7
95.09143	4.1
97.06511	13.9
97.10129	2.5
99.04438	3.0
99.08064	5.3
103.66203	2.2
105.07015	27.8
107.08583	38.1
109.06519	3.9
109.10119	20.4
111.08038	4.4
117.06997	10.0
119.08572	18.8
121.10129	25.3
129.07010	4.7
131.08566	15.4
133.10118	22.5
135.11693	17.0
139.11157	18.5
145.10086	5.1
147.11690	13.3
149.13258	24.6
151.11189	8.6
157.10081	3.7
159.11711	18.4
159.12886	2.3
160.28661	2.1
161.13251	9.3
163.11217	3.5
163.14899	2.4
165.12733	2.2
173.13327	2.9
177.12766	8.8
195.13742	25.2
211.83533	2.5
227.16422	3.6
259.20554	3.9
277.21570	22.5
291.23181	9.9
309.24252	3.3
344.25787	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	344.2274
Annotation	Unknow
Peak:m/z	Relative Intensity
58.06852	0.3
59.63278	0.3
60.04507	0.4
61.02909	0.3
69.03400	1.7
71.04955	0.4
81.03381	0.5
85.02892	7.2
87.04438	1.4
89.03887	0.6
89.06010	41.5
91.05451	6.5
92.50666	0.3
95.08606	0.4
97.02895	2.2
103.53783	0.3
107.04926	0.5
107.07046	0.7
107.94618	0.3
117.03374	2.4
119.04915	23.2
122.25846	0.3
123.04445	0.5
127.03860	0.5
129.06970	2.6
133.08565	15.6
135.04395	3.1
141.69794	0.3
145.02831	4.5
145.04907	0.8
147.04384	100.0
148.04723	1.5
149.05916	0.5
151.03899	1.3
163.03848	10.0
165.05429	23.3
165.37335	0.3
177.05421	3.6
177.11159	4.4
180.08463	0.3
182.02705	1.7
183.10127	0.3
202.67400	0.4
221.13831	0.5
229.89525	0.3
239.14784	0.4
266.71161	0.3
279.00055	0.3
283.17606	0.8
327.20029	16.4
349.22183	0.3
355.66577	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
52.89891	0.8
57.03438	1.4
58.10996	0.9
58.69790	0.9
60.04518	1.8
69.03403	4.7
73.02876	1.0
76.29434	1.0
85.02893	15.6
97.02860	4.3
107.04941	100.0
110.07162	2.2
121.06493	1.1
123.04417	7.6
127.03900	2.3
129.06934	1.6
135.04398	2.0
144.74696	1.1
145.02794	4.5
147.04408	6.8
147.08014	4.9
156.07713	1.8
163.03854	11.8
164.10651	2.0
165.09039	11.9
168.79529	1.3
177.05501	4.4
180.08670	1.3
215.78854	1.2
320.94052	1.1
344.16949	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1912
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03439	0.4
59.04987	12.0
61.02905	0.8
63.29247	0.3
65.18136	0.3
66.71680	0.3
69.03408	2.5
70.06587	0.4
71.04966	0.6
73.02914	0.4
73.60812	0.3
73.63763	0.3
75.76143	0.3
77.06028	0.4
81.03394	0.7
84.04522	0.3
85.02897	5.4
86.70887	0.3
89.06020	3.6
97.02843	0.7
98.97518	0.4
99.04405	0.3
103.07563	9.4
105.07001	2.0
109.02888	0.4
117.03353	4.0
122.06010	0.4
127.03841	0.4
133.08514	0.4
134.04604	9.0
135.03001	0.7
135.04372	1.5
137.05968	0.4
145.02817	9.1
147.04407	0.4
149.05971	0.7
152.05664	2.4
163.03868	4.5
164.07001	0.8
165.02205	3.4
165.11201	12.0
167.02602	0.7
177.05437	7.1
182.04926	100.0
183.05208	0.6
198.11168	0.4
224.07669	0.3
288.60306	0.3
344.10156	12.8
344.13507	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81543	0.3
55.01855	0.5
56.88330	0.3
57.03416	0.7
58.76715	0.3
61.02898	2.1
61.83168	0.3
63.98830	0.3
66.67010	0.3
69.03413	4.1
70.43872	0.3
81.03388	1.4
85.02884	17.2
87.04431	0.4
88.56149	0.3
91.05456	4.8
95.05000	0.3
97.02867	4.0
99.04396	0.4
109.02854	1.9
119.04910	21.2
123.04407	2.0
127.03844	1.6
127.90319	0.3
135.96169	0.3
145.04921	2.0
147.04376	100.0
165.05426	24.0
167.10133	0.3
180.08580	0.4
182.08096	0.4
196.29060	0.3
225.09518	0.3
232.65331	0.4
251.91176	0.3
261.20786	0.3
332.64221	0.3
344.13254	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.0
55.01873	1.5
55.05501	2.6
57.03430	47.0
57.22488	1.0
59.04984	2.9
61.02917	20.5
65.74465	1.3
69.03418	82.6
71.01348	2.9
71.04974	8.1
72.60069	1.3
73.02905	71.6
75.04459	15.9
81.03399	9.5
83.04949	11.3
85.02892	100.0
85.06549	1.4
87.04456	10.7
91.03931	2.2
91.45804	1.2
97.02873	52.6
99.04427	5.8
101.06009	12.1
103.03889	1.6
109.02899	7.3
111.04401	13.6
115.03909	35.4
119.04909	1.5
123.04418	7.1
127.03910	19.5
129.05470	22.2
131.73209	1.2
133.04942	12.8
136.07542	10.8
138.05438	1.5
145.04955	20.2
147.06509	22.8
153.06557	3.0
163.04843	1.2
163.06044	7.5
164.07095	2.4
165.05452	1.5
165.07594	21.4
182.08110	7.7
197.03825	5.4
225.06969	2.2
241.06633	5.8
257.50513	1.4
269.05905	2.2
280.07324	1.2
295.10135	8.3
326.08063	5.3
344.09109	17.4
344.12918	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03947	0.9
55.01867	1.1
57.03416	1.1
59.04998	0.6
60.04507	1.1
61.02911	4.6
64.35152	0.4
66.21609	0.4
69.03416	9.2
70.06588	0.7
71.04975	0.9
73.02897	2.2
75.04448	0.9
81.03386	6.1
83.01326	0.7
83.98603	0.4
85.02889	27.2
87.04447	2.7
89.06034	0.7
91.03904	1.0
91.05460	17.1
95.04949	0.7
97.02863	10.4
98.97516	0.7
99.04423	1.9
101.06033	0.5
103.03903	1.1
103.05428	1.1
105.40996	0.5
109.02859	2.5
115.03912	1.0
117.03310	0.6
119.04919	59.8
121.06499	1.1
123.04411	5.6
127.03905	4.0
136.07553	100.0
145.04913	3.2
147.04396	4.9
147.06468	1.0
152.07240	0.6
157.23329	0.5
164.07039	2.4
165.05431	8.8
165.07556	0.6
165.09938	0.5
165.11362	0.5
178.08618	2.0
182.04559	2.5
182.08092	66.3
183.08290	0.5
224.09111	2.4
236.59999	0.5
249.04074	0.7
321.21890	0.5
326.12314	0.7
327.06866	0.7
344.13312	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	344.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.94458	0.2
55.01856	0.3
57.03411	0.4
61.02906	0.5
63.97748	0.3
69.03403	2.3
70.06566	0.6
71.04971	0.4
72.08098	0.4
73.02879	0.5
74.59680	0.3
81.03403	0.4
83.04922	0.4
83.73029	0.3
85.02892	2.9
86.09655	0.5
89.03901	1.4
91.05425	0.4
92.09275	0.6
97.02864	1.6
98.97536	0.4
114.43317	0.3
117.03376	4.1
117.09104	0.6
122.05961	0.4
134.03621	0.6
134.04584	8.9
135.03069	0.4
135.04359	1.1
140.02760	0.4
145.02817	8.8
149.05948	2.0
152.05667	2.6
163.03889	1.4
164.07002	1.7
165.02219	2.8
167.02533	0.7
171.84595	0.3
177.05420	10.1
182.04918	100.0
183.05141	0.4
204.77818	0.3
259.19379	0.3
335.68961	0.3
344.10138	16.1
344.13382	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	344.1335
Annotation	Unknow
Peak:m/z	Relative Intensity
52.61674	0.3
53.03928	0.2
55.01849	0.2
55.34381	0.2
57.03405	1.0
61.02913	1.8
62.70525	0.2
63.05404	0.2
69.03065	0.3
69.03409	3.6
71.04958	0.4
73.02892	0.5
79.97754	0.2
81.03394	1.9
85.02883	18.2
87.04433	0.3
91.03933	0.4
91.05444	5.2
95.04939	0.4
97.02870	3.8
99.04434	1.0
101.00212	0.2
109.02863	1.4
117.09096	0.3
118.09432	0.2
119.04909	25.3
123.04385	2.0
127.03874	2.2
127.96095	0.2
145.02827	0.4
145.04910	2.1
147.04378	100.0
165.05426	26.9
177.05441	0.3
180.08627	1.1
181.03793	0.3
206.61520	0.2
225.08859	0.3
249.07225	0.3
286.63467	0.3
309.09650	0.3
344.13293	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.2264
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03927	4.5
55.05493	18.0
57.03417	11.2
57.07061	6.5
62.17334	2.6
67.05504	29.9
69.03405	6.6
69.07057	5.8
71.04958	20.7
74.04379	3.0
79.05481	29.6
81.07032	36.4
83.04957	6.7
91.05474	42.1
93.07019	68.4
95.04954	42.3
95.08583	100.0
97.06519	17.4
105.07008	77.9
107.04883	4.5
107.08580	56.5
109.06508	19.9
109.10164	5.2
115.05431	4.2
117.06983	25.3
119.08559	30.1
121.06491	12.4
121.10129	14.6
123.08043	26.2
129.06963	12.5
130.07811	16.0
131.08536	12.6
133.06456	7.1
133.10091	24.1
135.08049	12.6
135.11658	14.7
137.09546	4.0
143.08557	12.8
145.10091	76.5
147.08043	11.4
147.11713	7.0
149.09570	4.5
151.07495	30.1
157.10112	5.8
159.07956	4.7
159.11685	5.3
163.11174	28.1
165.09090	6.0
167.08487	3.2
171.11621	3.7
175.36864	3.0
177.09340	3.1
179.06995	4.6
185.13264	3.5
189.12688	12.3
191.58937	3.0
194.10863	2.9
199.14873	5.0
209.67346	3.4
221.15309	13.0
285.22021	3.3
343.22614	78.0
343.26376	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	343.2265
Annotation	(13S,14S)-epoxymaresin
Peak:m/z	Relative Intensity
53.03933	2.6
55.01872	3.9
55.05499	21.1
57.03420	17.2
57.07069	5.4
58.23980	2.5
59.04985	4.5
63.90428	1.9
67.05499	38.0
69.03410	10.1
69.07053	6.4
71.04980	20.1
71.44361	2.5
73.46870	3.0
78.10468	2.3
79.05482	30.1
81.03408	2.3
81.07046	30.2
91.05460	41.8
93.07021	76.4
95.04948	53.1
95.08583	100.0
97.06520	15.3
105.07001	90.9
105.07659	4.3
107.04920	3.4
107.08575	59.1
109.06478	19.6
109.10147	5.0
115.05447	13.0
115.87002	2.6
117.07001	39.3
119.06010	2.6
119.08572	29.8
121.06497	20.6
121.10119	10.9
122.37612	2.8
123.08053	25.1
128.06218	3.6
129.07019	4.7
130.07776	17.5
131.08531	12.0
133.06465	9.8
133.10117	20.1
135.08046	16.2
135.11690	13.7
135.63669	2.6
137.09608	3.4
142.07716	2.6
143.08528	15.9
144.09377	2.7
145.10110	66.6
147.08014	4.4
147.11676	5.0
149.09584	4.5
151.07544	35.7
155.08653	2.6
157.10175	10.2
159.11700	11.4
161.09547	3.7
161.13071	2.5
163.11166	30.4
165.01836	2.7
165.09125	14.0
169.10146	4.0
171.11682	3.3
180.24948	2.6
182.10898	2.7
189.12778	5.3
221.15356	14.1
307.20670	2.6
343.22610	95.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1878
Annotation	Unknow
Peak:m/z	Relative Intensity
53.09841	3.6
54.43113	3.2
55.05488	5.4
59.51791	4.4
63.73227	4.2
67.05482	19.2
69.03430	4.4
69.07058	5.6
81.07038	30.0
83.08617	4.9
84.88818	4.2
85.02905	5.1
91.05458	7.5
93.07011	7.8
95.08585	26.2
105.07016	11.1
107.08572	9.9
109.10154	10.4
112.72749	5.2
121.10105	5.1
123.11691	5.9
145.67159	5.0
162.61867	4.3
181.06714	4.7
202.54604	4.8
246.15903	6.4
343.18729	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	343.1232
Annotation	Trehalose
Peak:m/z	Relative Intensity
52.55585	0.6
53.03927	2.7
54.44784	0.7
55.01867	13.9
55.05514	0.8
57.03428	13.8
61.02920	7.1
62.12214	0.6
69.03418	48.2
70.06570	0.7
70.82016	0.8
71.01332	3.3
71.04972	4.3
72.08135	4.1
73.02909	9.8
73.08474	1.0
81.03404	7.8
83.01298	0.7
83.04952	2.6
83.84248	0.6
84.05325	0.6
85.02890	100.0
86.03230	1.5
86.09662	2.9
87.04443	1.0
87.05518	0.7
89.80067	0.7
91.03924	0.9
91.10966	0.6
91.31626	0.7
97.02875	32.2
99.04432	9.4
101.02354	8.5
103.03892	1.1
109.02852	8.6
110.87766	0.7
113.05997	0.7
115.03899	5.8
118.08633	1.1
127.03894	54.1
128.04314	0.7
139.34854	0.7
145.04932	25.1
163.03934	0.9
163.06015	5.6
192.13928	0.7
200.21773	0.6
284.94601	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.01003	0.5
53.29612	0.6
57.03415	0.8
57.07068	6.0
58.27642	0.6
59.04712	1.0
59.04989	18.8
61.02895	2.8
63.04475	1.0
66.33454	0.7
69.03404	3.9
70.06553	1.1
79.93834	0.6
81.03390	1.5
85.02887	19.9
86.09669	1.4
87.08096	9.5
89.06010	54.1
91.03914	1.2
96.44132	0.6
97.02857	4.4
107.07050	100.0
109.02921	0.9
119.04922	2.8
121.07604	0.6
126.01054	0.9
127.03913	2.9
145.04955	5.6
147.04402	7.0
162.05452	4.4
163.05981	0.9
163.13239	8.6
168.03848	0.6
175.41206	0.7
179.03342	1.0
199.18106	0.6
200.22546	0.7
269.12241	3.3
354.90240	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	2.0
55.01867	8.9
55.05508	27.9
57.03433	2.9
64.97195	1.6
65.84188	2.0
67.05489	42.9
69.07056	29.9
71.04966	3.6
79.05474	41.1
81.03400	2.8
81.07039	100.0
83.04966	7.3
83.08601	15.4
83.26601	1.8
84.09624	1.7
85.06519	2.5
91.05457	27.0
92.08715	11.8
92.09341	5.8
93.07014	32.3
95.04953	17.9
95.08585	33.5
97.06497	10.6
99.08099	2.2
105.07033	24.0
107.04954	11.0
107.08589	18.7
109.06517	31.1
109.10140	8.1
111.08095	2.9
117.07004	4.1
119.08557	22.1
121.06508	3.6
121.10126	12.0
123.08060	7.6
123.11707	2.2
131.08546	16.7
133.10103	14.5
135.08049	4.3
135.11667	7.9
137.09654	2.4
145.10109	14.1
147.11700	15.8
149.09637	8.6
149.13225	4.2
157.10168	2.3
159.11684	12.6
161.09563	2.1
161.13225	2.3
163.11137	8.3
173.13347	3.4
177.12732	2.2
187.11087	2.8
201.12877	2.5
241.36417	2.0
247.20583	4.0
257.18939	4.2
275.17075	2.5
275.20023	69.7
293.21194	7.6
307.22586	33.7
342.33551	8.6
345.19586	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	342.3726
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00296	0.4
55.05495	1.3
57.07067	12.8
58.06580	1.3
62.06076	4.3
63.08397	0.2
67.05489	1.0
69.07044	0.4
71.04987	0.3
71.08613	6.2
72.08133	2.0
79.05488	0.6
80.15703	0.2
81.07040	1.7
85.06528	0.3
85.10157	1.0
91.05428	0.9
93.07017	1.1
95.08583	0.9
105.07018	0.5
107.08567	0.5
109.10137	0.3
121.10114	0.3
123.11742	0.3
131.08578	0.2
133.10089	0.9
145.10115	0.4
145.64113	0.2
156.17470	2.4
159.11720	0.3
174.18489	6.7
212.23676	1.7
226.24971	0.3
230.24736	5.1
324.36121	1.2
342.37231	100.0
343.37756	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
51.66712	0.7
55.01861	1.0
55.05503	1.7
57.03428	13.5
59.04984	1.1
61.02914	5.2
69.03408	8.7
71.04979	5.1
71.08622	9.9
73.06536	3.7
79.05476	1.8
81.03399	4.5
81.07035	26.7
83.04936	0.9
85.02888	28.5
85.06521	4.3
93.96377	1.0
95.07623	0.9
97.02883	7.6
99.07409	1.2
99.08070	35.0
109.02869	1.6
109.06506	36.4
117.09113	100.0
119.67621	1.1
127.03864	3.6
127.07526	50.9
145.04945	3.5
149.63826	1.0
163.09622	18.3
180.08633	3.9
180.12292	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	342.2118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00301	0.3
53.03935	1.3
55.01860	1.5
55.05228	0.5
55.05503	14.0
57.03426	3.5
57.07064	27.0
59.04989	1.3
61.02911	4.9
63.04475	0.9
69.03413	7.9
70.06575	0.4
71.04982	1.4
73.02896	1.4
73.06544	0.3
74.33047	0.2
76.55994	0.2
81.03398	3.8
83.01322	0.5
83.08606	5.9
84.37708	0.2
85.02886	35.0
87.04449	1.0
89.06008	55.3
91.03925	1.5
97.02866	8.8
98.97552	0.4
99.04434	1.6
101.09631	23.2
107.07048	41.7
109.02850	2.8
109.06509	0.3
113.08734	0.2
123.02100	0.2
127.03896	4.0
137.05933	0.3
142.12270	0.2
144.84731	0.2
145.02875	0.4
145.04944	3.4
145.12207	0.5
161.48758	0.2
163.03920	0.3
163.13252	100.0
164.13551	0.3
177.05367	0.3
181.12196	0.3
184.71985	0.2
220.02301	0.2
330.96387	0.2
353.98093	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1756
Annotation	Unknow
Peak:m/z	Relative Intensity
53.22515	0.5
55.05495	0.8
55.93086	0.6
57.03430	12.1
57.57190	0.5
59.04992	0.8
61.02909	2.5
69.03409	6.9
71.04974	6.9
71.08607	5.1
73.02875	0.7
75.82653	0.6
81.03401	3.9
81.07041	7.5
85.02415	1.1
85.02889	19.7
85.06528	0.8
91.03918	1.1
92.83883	0.6
97.02866	6.4
99.08075	23.5
109.02868	2.2
109.06516	5.7
117.09111	100.0
127.03908	3.5
127.07514	6.5
127.11169	3.3
145.04967	2.4
151.03925	0.6
163.09641	10.4
179.03334	4.5
180.03693	7.6
180.08617	3.2
180.12256	3.3
183.41164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1757
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	0.6
55.01871	0.7
55.05497	0.8
57.03432	12.0
61.02910	3.4
69.03406	5.6
71.04983	5.6
71.08619	4.0
79.05474	0.7
81.03401	4.2
81.07034	9.9
83.04956	0.8
85.02887	23.4
85.06538	1.6
85.50658	0.6
87.04460	0.6
91.03934	0.7
92.08665	0.7
97.02860	5.5
99.04452	1.1
99.08072	24.3
101.05994	0.8
109.02855	0.8
109.06512	6.5
117.09110	100.0
127.03905	3.5
127.07550	5.5
127.11201	4.6
133.59949	0.6
136.06085	0.7
145.04935	1.2
151.03902	1.0
163.09636	10.7
179.03325	4.4
180.03690	5.1
180.08675	1.5
180.12334	3.4
221.07465	0.7
229.09111	0.6
287.06094	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1657
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
54.81448	1.0
55.05495	1.8
56.05029	2.0
57.03421	12.9
59.05020	0.9
61.02913	2.5
65.03915	1.2
66.42565	0.8
67.05499	5.6
69.03429	7.1
69.07047	6.9
70.06565	1.5
71.04984	5.6
71.08617	7.9
71.71341	0.9
73.02893	2.3
73.06531	9.6
79.05455	3.4
81.03400	16.1
81.07039	24.0
82.02930	5.0
83.06092	1.5
85.02892	27.6
85.06551	1.4
86.09701	1.9
91.05464	2.1
91.97500	1.0
92.08758	1.0
95.04929	1.5
96.08124	2.4
96.84223	1.0
97.02869	6.6
97.07624	2.2
98.46326	1.0
98.97569	4.3
99.05549	10.4
99.08080	25.9
102.05498	1.1
108.04463	2.5
109.06507	29.4
109.10161	1.5
111.05553	39.3
112.99091	1.1
116.98585	2.5
117.09113	100.0
119.04923	6.0
120.04419	2.0
122.09639	8.6
125.07097	21.8
126.05485	11.7
127.03925	4.0
127.05038	5.1
127.07534	45.2
127.11202	1.3
127.83266	1.0
129.17091	1.1
134.05968	1.3
139.05008	63.2
139.12291	6.6
145.04898	1.3
145.08578	1.1
147.04404	12.7
150.09134	11.1
152.10670	1.1
153.06583	7.7
162.05472	25.2
163.09630	23.1
167.11775	25.6
168.10143	1.4
180.03571	1.6
181.06479	1.0
195.11259	81.6
223.10741	4.7
227.35690	1.1
279.13339	1.8
324.15479	16.5
342.16312	1.4
343.13754	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	342.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	4.1
55.01862	6.8
55.05495	1.1
57.03439	8.3
59.04971	1.4
61.02910	9.2
62.63869	0.9
67.05485	10.7
68.99756	1.5
69.03417	52.0
70.06541	1.0
71.04972	8.7
73.02899	5.6
76.86971	0.9
79.05479	1.7
80.78839	0.8
81.03404	25.5
81.07037	12.8
83.04967	4.4
84.08125	1.3
84.35953	0.8
85.02890	100.0
85.06530	20.4
87.00810	54.5
87.01354	1.2
87.04454	5.5
91.03890	1.0
92.63871	0.9
95.04932	2.2
97.02872	28.4
97.06503	4.5
98.97607	1.2
99.04433	11.1
99.08078	12.5
103.03922	5.5
105.01848	45.0
109.02856	20.8
109.06494	2.1
113.02404	1.0
113.05981	6.7
115.03913	1.0
116.98612	0.9
117.01875	1.1
117.05475	3.6
121.06478	1.3
125.05956	1.7
127.03896	49.3
127.07544	12.8
129.01727	1.5
131.07008	6.2
140.03473	1.3
143.10661	1.2
145.04951	14.3
145.08569	12.7
159.02872	6.4
163.03888	1.0
163.06024	1.5
163.09648	7.9
164.13828	1.1
167.07031	1.9
180.06302	7.4
180.08784	1.1
185.08134	1.6
189.04036	1.1
231.04971	13.0
249.06041	4.4
289.09253	8.0
307.10153	2.0
342.11581	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	341.3047
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.4
53.03936	0.6
54.81426	0.6
55.05506	51.7
57.03423	0.9
57.07069	40.5
67.05492	16.5
69.07056	100.0
71.04972	2.8
71.08246	1.0
71.08617	23.7
73.06528	1.0
79.05473	7.7
80.71863	0.7
81.07040	45.4
83.04965	1.6
83.05507	0.7
83.08607	60.6
85.06530	8.1
85.10172	10.2
91.05483	5.7
93.07021	18.8
95.08585	48.9
97.06505	9.9
97.10152	33.7
99.08077	1.0
101.05990	1.3
105.07011	13.7
107.08575	17.8
109.06499	4.2
109.10137	20.3
111.08057	4.3
111.11706	17.0
115.07534	3.2
119.08564	11.5
121.10107	11.3
123.08057	4.7
123.11690	13.2
125.09592	3.7
125.13235	5.8
127.07539	3.6
129.09099	1.5
131.08549	0.9
133.10107	12.2
135.11691	8.6
137.09622	5.0
137.13261	5.3
138.38307	0.7
139.11151	3.6
139.14810	1.5
141.09082	1.2
145.10095	0.8
147.11685	10.4
149.13251	7.6
151.11156	5.6
151.14883	1.2
153.12769	1.5
155.10614	1.1
157.12199	0.8
161.13211	9.0
163.14784	3.3
165.12698	6.6
165.16365	0.8
167.14262	1.2
169.12201	3.1
171.13718	0.8
175.14795	4.7
177.16328	1.5
179.14261	7.0
183.13747	2.6
185.15294	1.2
189.16312	1.5
191.17981	1.0
193.15891	2.8
195.17453	0.8
197.15353	3.1
203.18015	0.8
205.19467	3.0
207.17422	0.8
217.19478	1.2
221.19078	1.0
223.20480	1.0
225.18536	0.9
231.20891	0.8
241.21556	0.9
263.27255	1.5
287.27164	5.6
305.28284	6.6
323.29120	1.1
341.26566	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	341.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34557	3.4
55.05492	15.1
56.23270	2.9
56.68409	3.8
57.07042	4.0
58.69400	3.0
59.21346	3.0
67.05485	20.3
68.24599	3.3
69.07050	20.5
71.04973	8.0
78.80462	3.8
79.05470	22.1
81.07035	95.1
83.04929	3.8
83.08611	5.9
91.05460	20.4
92.08557	4.1
93.07018	100.0
95.08581	82.4
97.10101	4.1
99.72971	3.8
105.07010	44.4
107.08569	77.6
109.06479	4.4
109.10113	38.9
111.08090	6.5
117.06978	5.0
119.08550	83.4
121.10118	46.3
123.11729	8.8
131.08536	9.1
133.10103	27.8
135.11690	19.5
140.09052	4.1
143.08557	6.8
145.10120	23.8
147.11679	19.4
149.13243	31.0
157.10176	5.2
159.11659	32.9
161.13240	15.4
163.14769	24.6
171.11610	4.1
173.13182	27.7
175.14757	5.9
187.14763	8.6
189.16325	7.0
191.17937	26.7
203.17978	5.0
213.16364	4.7
215.17953	7.4
227.17970	6.1
248.14462	4.0
257.22449	5.5
267.21188	4.3
283.24088	24.9
323.27188	25.9
325.11298	4.5
341.28174	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	341.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	2.6
54.81785	1.5
55.05500	18.2
57.07049	3.0
59.50254	1.7
67.05499	21.1
69.07052	19.9
71.04974	19.0
74.17210	1.7
79.05471	25.9
81.07034	78.9
83.08568	8.1
85.06519	3.7
91.05453	22.2
93.07024	79.6
95.04918	6.9
95.08584	68.0
97.06477	2.2
97.10110	4.6
105.06380	2.4
105.07010	43.4
107.08576	70.4
109.06466	7.9
109.10141	27.8
110.82584	1.8
111.08078	14.7
117.06952	4.4
119.07722	2.0
119.08557	47.0
121.10117	53.3
123.11732	12.9
131.08539	18.0
131.13170	2.1
133.10112	26.9
133.60110	2.0
135.11679	25.2
137.13147	2.2
143.08478	3.4
145.10117	20.7
147.11699	22.3
149.13237	36.7
157.10031	10.3
159.11670	28.4
161.13223	18.2
163.14731	17.7
171.11578	3.8
173.13220	16.1
175.14734	8.5
177.16322	2.8
187.14795	17.2
189.16298	9.6
191.17773	11.2
199.14716	2.5
201.16295	4.1
203.17894	2.6
213.16286	4.2
215.17758	2.2
227.17900	2.6
239.17667	2.3
248.01683	1.9
257.22672	6.4
267.20715	2.3
283.23975	9.4
323.27173	15.4
341.26379	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.2108
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49778	0.7
55.01855	1.5
55.05504	6.3
57.03428	0.8
57.07064	1.3
61.30634	0.8
63.28401	0.7
67.05489	13.5
69.03418	1.6
69.07040	1.5
69.09669	0.8
71.04971	4.7
79.05478	9.2
81.07050	12.5
81.07495	1.4
83.04948	2.9
83.08595	1.5
85.06549	6.2
91.05470	15.2
93.07016	20.6
95.04932	5.3
95.08582	34.0
97.06461	1.3
105.07006	17.5
105.19054	0.9
107.08579	12.2
108.09007	0.8
109.06519	5.0
109.10139	6.1
111.04469	1.8
111.08070	1.7
117.06974	3.7
119.08566	13.6
121.06514	1.9
121.10120	7.3
123.08035	19.0
123.11718	1.1
129.07066	1.7
130.07779	0.9
131.08580	5.1
133.10127	14.5
134.10419	3.7
135.08049	11.3
135.11656	1.4
137.05992	1.2
137.09612	1.8
142.07762	1.2
143.08530	1.7
145.06454	0.8
145.10104	12.2
147.08020	1.2
147.11684	1.8
149.09573	1.3
149.13304	1.0
151.07524	100.0
151.11168	1.9
153.07001	0.8
157.10109	3.8
159.08064	1.1
159.11636	3.8
161.09644	1.5
161.13237	1.0
163.07533	1.1
163.11179	4.0
165.09109	4.4
167.17661	1.0
171.08102	1.0
171.11650	1.3
172.08852	3.2
173.09607	3.7
173.13229	4.0
174.06760	1.5
175.07545	5.5
175.11084	1.1
176.08301	4.7
177.09088	8.3
181.10016	0.9
185.13365	1.2
186.10329	1.3
187.11101	1.1
188.08327	5.7
189.09067	15.5
191.10640	17.8
199.11009	1.2
201.09103	7.0
202.09950	1.6
203.10628	8.1
205.12155	1.7
209.09644	1.1
210.10405	0.8
211.11099	1.2
212.08232	0.8
213.09036	1.6
214.09921	1.8
215.10612	5.8
217.12160	3.6
221.13161	0.9
225.09151	0.9
226.09732	1.5
227.10680	4.9
229.12224	9.3
239.10643	1.9
239.14241	1.0
241.12271	5.2
242.12802	0.9
243.13794	1.3
253.12218	1.7
255.13765	2.0
257.15335	9.3
267.13785	1.1
268.14523	1.1
283.16824	8.2
323.19876	1.5
341.21057	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03918	1.1
55.01854	1.5
55.05505	9.4
56.96541	0.8
57.03428	13.6
59.04971	0.9
61.02898	4.2
67.05489	2.3
69.03408	8.6
69.07031	1.2
70.06567	1.6
70.07372	0.7
71.01327	1.2
71.04973	60.9
73.02910	4.5
73.06533	6.4
75.04446	3.4
79.05474	2.7
81.03408	5.6
81.03785	0.7
81.07032	1.3
82.03713	0.9
83.04960	14.9
84.05291	0.9
85.02885	100.0
85.06505	1.2
86.03204	0.9
86.09679	0.7
87.04451	2.4
95.04891	0.8
95.08578	0.9
96.04454	1.1
97.02857	12.2
97.06499	7.7
98.06017	0.9
98.06833	3.5
98.97547	0.9
99.04447	6.6
101.05989	4.2
103.03912	0.9
107.04878	0.7
107.08585	1.0
109.02842	3.3
111.04424	3.1
111.07194	0.6
113.05952	0.8
116.07089	7.6
117.05408	0.7
120.06508	0.8
121.06464	4.5
125.05983	6.1
125.09628	4.8
126.05455	2.6
126.06290	2.8
127.03874	3.8
129.05438	15.1
137.05957	2.6
143.07013	7.5
143.10706	4.9
144.03641	1.2
144.06482	23.5
145.04942	1.6
147.06448	1.2
161.04391	0.8
161.08043	3.7
161.11665	0.6
162.07481	14.4
170.55635	0.7
179.03328	6.6
186.07512	1.4
202.05301	1.0
238.10855	0.6
251.78188	0.8
257.33130	0.7
281.76968	0.7
324.12817	1.4
341.13000	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	341.0865
Annotation	Unknow
Peak:m/z	Relative Intensity
53.21107	0.1
54.17233	0.1
56.06495	0.1
67.01842	0.2
68.99755	0.8
69.03400	0.2
85.02880	0.5
103.53388	0.1
111.04417	1.1
123.04335	0.2
127.03856	0.2
133.02809	0.5
135.25053	0.1
137.02281	0.3
139.82878	0.1
151.03899	0.1
155.03357	1.0
161.02333	0.2
179.03355	100.0
180.03700	0.5
228.08852	0.1
233.34135	0.1
294.92310	0.2
300.32047	0.1
303.01434	0.1
327.22131	0.1
349.30261	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	340.248
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51840	1.0
53.42873	1.0
54.47533	1.0
55.01868	12.6
55.05503	21.2
57.03439	9.8
57.07044	2.5
59.04979	1.6
59.77358	1.0
67.05492	64.4
69.03415	6.4
69.07049	17.0
71.04977	1.3
79.05477	24.1
81.07037	70.7
83.04976	23.0
83.08594	5.9
85.06529	10.6
91.05462	43.1
91.15971	1.3
93.07018	37.9
95.04931	7.6
95.08591	13.4
97.06516	5.0
99.08053	2.2
105.07014	65.6
107.04941	5.1
107.08570	50.7
109.06483	8.4
109.10141	73.3
115.05491	1.4
117.06986	5.1
119.08545	6.2
121.10124	5.3
123.08057	2.2
123.11670	21.7
131.08578	6.7
133.06462	2.3
133.10106	100.0
135.08046	2.1
149.09572	2.8
149.75175	1.2
151.11157	66.4
161.09584	2.8
179.10667	7.2
183.13770	18.9
193.04930	1.8
229.14369	1.8
244.37625	1.2
273.18381	6.0
291.19489	6.4
305.21100	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	341.0863
Annotation	AESCULIN
Peak:m/z	Relative Intensity
67.01857	0.2
67.21146	0.1
68.99757	0.8
71.01316	0.1
85.02899	0.2
92.08682	0.1
96.65180	0.1
111.04412	0.7
120.10500	0.1
127.03799	0.1
130.35861	0.1
133.02809	0.5
137.02306	0.5
155.03339	0.8
161.02303	0.2
179.03351	100.0
180.03627	0.4
280.76428	0.1
342.42200	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	340.248
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	14.2
55.05507	31.1
57.03429	12.4
57.07062	5.7
63.87011	2.8
67.05492	90.6
67.38429	2.6
69.03403	13.1
69.07060	22.5
71.04965	3.9
79.05474	40.6
81.07037	91.3
83.04958	30.3
83.08614	4.6
85.06514	13.9
91.05461	57.3
93.07024	48.3
95.04948	6.4
95.08584	16.3
97.06510	5.8
105.07018	66.7
107.08585	46.0
107.26681	2.7
109.06497	15.4
109.10140	83.0
117.06974	5.5
119.08526	6.8
121.10143	6.1
123.11677	19.4
128.06065	3.3
131.04924	3.0
131.08508	5.4
133.10101	100.0
135.11626	4.0
143.08545	3.0
149.02328	4.9
149.09636	7.0
151.11174	69.6
173.87921	3.2
179.10583	3.4
183.13766	19.8
193.05002	15.0
196.35077	3.1
198.27959	2.5
224.65527	4.2
241.53941	3.0
273.18369	5.2
291.19534	7.2
305.21063	14.3
339.26901	3.3
339.77881	11.4
341.23862	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	340.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
52.64814	1.3
53.03938	5.1
53.73222	1.1
55.01860	6.8
56.98229	1.2
57.03422	8.5
61.02904	5.0
63.92610	1.3
69.03064	2.3
69.03414	39.5
71.04979	2.0
73.02897	6.3
81.03400	28.6
85.02891	100.0
85.64672	1.3
87.00808	54.3
87.06932	1.2
88.80266	1.3
91.57005	1.2
94.45356	1.7
97.02870	27.0
99.04422	8.9
105.01841	47.1
109.02859	27.1
113.09616	2.2
118.06516	5.6
127.02966	2.3
127.03893	51.1
132.08134	2.2
133.02866	1.5
141.86066	1.3
145.04945	16.3
145.70776	1.4
147.02823	1.7
147.04370	2.1
148.04703	2.9
159.02837	9.2
160.07544	9.1
179.03354	17.4
231.05046	12.4
232.56096	1.4
249.05981	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	340.1599
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	5.4
55.01870	7.4
55.05496	5.9
56.23391	0.6
57.03428	8.1
59.38055	0.7
60.04485	0.7
61.02918	7.1
68.99765	3.6
69.03418	41.7
69.07037	1.1
69.27103	0.6
71.04967	4.2
71.48029	0.6
73.02913	7.1
75.04470	0.6
79.05488	0.7
80.57040	0.6
81.03402	25.2
81.07039	1.6
83.01308	1.2
83.04964	2.9
83.08592	2.6
85.02888	100.0
86.09703	0.9
87.00809	50.6
87.04454	1.0
91.03935	1.3
97.02872	31.1
97.10139	11.3
98.97585	0.9
99.04436	11.8
101.02371	0.7
103.03915	0.7
105.01848	45.3
108.04449	0.9
109.02863	24.2
110.07133	1.2
113.09626	4.4
114.09970	2.8
115.03909	1.0
117.01823	3.2
117.09067	1.0
123.02925	0.9
125.09599	2.8
127.03890	47.3
129.01794	3.3
129.07014	1.1
136.88104	0.7
141.09070	3.0
142.09415	2.8
143.09612	1.3
143.10611	9.2
145.04935	16.4
159.02856	10.9
159.08002	0.8
160.07591	0.7
161.11703	2.7
167.06952	1.0
171.02814	0.8
178.04933	8.7
189.03842	1.5
213.03821	1.5
225.98892	0.8
231.04973	10.3
249.05997	6.3
249.11139	5.6
286.43860	0.7
340.10147	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1602
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03915	0.9
54.39528	0.6
55.01860	1.7
55.05503	7.4
57.03413	4.3
57.07044	1.0
61.02904	3.2
64.22438	0.7
67.05485	5.7
67.79481	0.7
69.03414	6.7
69.07051	45.9
71.01327	1.3
71.04977	6.3
73.02896	1.4
73.06530	6.3
74.09702	1.4
74.20940	0.8
75.74770	1.0
79.05474	10.1
80.44032	0.7
81.03391	1.9
81.07032	13.5
83.04964	14.1
85.02894	21.9
85.06521	24.4
87.04439	1.7
93.95571	0.7
94.04302	0.7
95.04949	10.7
97.02856	4.8
97.06508	100.0
98.97530	0.9
99.04420	5.2
99.08041	1.6
101.05994	1.5
103.03899	1.2
107.04931	0.9
109.02850	1.5
110.75262	0.7
111.04424	1.8
113.05986	35.8
115.07545	31.5
121.06527	0.9
125.05968	53.2
127.03854	1.7
131.07008	17.3
133.08521	1.0
143.07018	70.3
145.04971	1.3
146.30974	0.9
161.08060	56.8
178.04933	1.1
204.03738	1.5
273.85910	1.0
286.78827	0.8
323.53149	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.3044
Annotation	Unknow
Peak:m/z	Relative Intensity
51.45284	7.7
51.85677	7.4
55.05502	18.2
57.07074	63.2
62.89763	9.0
67.05492	19.4
69.07053	38.6
71.08624	9.7
74.74116	7.5
79.05478	11.9
81.07037	100.0
90.98289	7.5
91.05476	14.9
93.07019	20.8
95.08587	53.9
105.07023	20.9
107.08608	64.0
109.10158	45.2
117.06960	9.5
119.08558	44.9
121.06494	40.1
121.10154	41.9
123.11714	10.7
123.45655	8.1
129.05432	10.5
131.08447	10.1
133.10135	17.6
135.11649	16.2
145.10133	34.5
147.11708	21.9
151.96234	9.5
159.11678	14.0
161.13237	12.5
173.13245	12.3
193.05113	12.4
229.19377	12.3
281.15396	15.4
283.17001	13.9
339.30701	68.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	340.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.3
55.05492	12.6
56.95851	1.6
57.03420	13.5
64.29367	1.3
67.05477	8.9
69.03409	20.0
69.07056	1.9
71.01334	95.4
71.04960	7.6
73.02900	2.4
79.05476	7.0
81.03381	3.7
83.01328	2.0
83.04960	79.9
85.02884	100.0
87.04458	1.8
93.81003	1.6
95.01279	2.9
95.04929	9.1
97.02854	3.1
97.06509	20.6
97.89851	1.6
99.04424	7.4
109.02843	3.5
111.04415	35.2
113.02356	12.8
113.05997	3.4
117.01839	15.0
118.05745	1.8
125.02358	1.7
125.05966	3.8
127.03893	7.3
137.02327	2.5
141.01810	4.2
143.07047	12.5
153.05450	3.0
157.04927	47.4
171.06479	68.4
175.05980	20.0
178.98976	1.7
189.06064	1.9
189.07481	12.8
287.07593	3.3
316.16971	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.8
55.71327	0.6
56.96553	11.7
57.03428	1.8
57.07053	4.0
58.03741	0.6
59.04992	0.8
59.86966	0.6
61.02928	1.0
67.05145	1.4
67.05489	34.3
69.03401	3.1
69.07054	6.9
70.07374	0.7
71.04974	100.0
71.08604	1.2
72.25671	0.7
72.33365	0.6
73.06532	1.3
79.05464	4.8
81.03379	0.9
81.07035	83.6
82.07336	0.7
83.08586	2.9
84.95996	4.1
85.02457	0.8
85.02886	9.5
85.06526	16.9
85.23482	0.7
92.08648	0.7
92.63750	0.8
93.06991	1.3
95.08575	13.9
96.08910	3.5
97.02877	1.6
97.06494	4.1
97.10142	4.7
98.06859	1.6
98.97578	4.9
99.04398	0.8
99.08067	11.3
113.09583	1.0
115.07535	8.0
116.07864	1.7
116.98578	4.5
123.08049	3.2
123.11683	25.9
124.08372	1.5
134.99635	1.2
141.09096	6.7
141.12720	69.4
142.09438	3.5
159.10223	5.0
159.13786	26.8
160.10490	3.9
163.03876	0.9
166.88156	0.7
169.01704	1.0
177.05444	4.4
177.14832	21.9
183.03223	0.8
193.01700	3.2
201.04314	1.7
203.02298	1.1
207.03221	4.5
210.02164	0.9
211.02742	3.5
225.04286	6.7
235.02721	1.7
245.03244	0.9
253.03769	1.5
255.01729	6.4
271.04739	1.0
271.70432	0.8
273.02774	1.6
287.83188	0.9
297.02557	1.2
315.03848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.2679
Annotation	3-(2,4-Cyclopentadien-1-ylidene)-5alpha-androstan-17beta-ol
Peak:m/z	Relative Intensity
55.05506	11.9
67.05490	15.5
69.07044	4.1
69.17570	3.1
71.04963	13.7
79.05476	13.5
81.07049	42.3
83.08618	3.2
83.28584	2.7
91.05466	25.4
93.07024	60.6
95.04966	3.8
95.08592	41.0
105.07016	77.6
107.08556	21.2
108.70896	2.7
108.95737	3.0
109.06494	6.3
109.10139	14.4
112.08689	2.7
117.06998	6.6
119.08563	100.0
121.10080	22.6
123.11655	3.9
129.06956	4.2
131.08534	24.6
133.10138	24.3
133.58534	3.3
135.11732	3.2
137.82013	3.0
143.08524	12.5
145.10117	39.0
147.11655	16.8
156.09312	4.1
157.10135	25.4
159.11670	43.7
161.13249	11.5
169.10043	4.2
171.11662	17.2
173.13232	13.5
185.13196	4.2
187.14763	22.5
189.16338	15.1
199.14778	5.5
202.61958	3.3
206.54555	2.9
213.16328	7.0
227.17865	3.5
232.08763	3.3
281.22699	5.3
321.25623	6.5
339.26849	20.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.268
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	27.0
56.96560	7.1
57.07063	6.2
58.72323	3.4
67.05489	33.6
69.07067	31.6
71.04966	19.5
71.08614	6.8
79.05479	34.4
81.07037	100.0
83.08588	7.0
87.81922	3.5
89.06009	16.2
91.05458	27.9
93.07025	85.4
95.04973	6.2
95.08586	79.6
97.06531	7.3
97.10168	5.6
97.77178	3.8
98.97554	59.6
102.14552	4.0
105.07006	72.3
107.08569	39.6
109.06503	8.6
109.10145	23.4
111.08037	8.7
116.78722	4.5
116.98598	47.9
117.06956	8.5
118.50466	3.9
119.08550	74.0
121.10095	35.4
123.11653	5.3
129.93344	4.0
131.08572	25.2
133.10112	22.6
134.58070	4.3
134.99646	41.5
135.11685	9.3
137.09578	5.2
142.07745	4.8
143.08527	7.8
145.10094	50.5
147.11670	26.0
149.13245	9.8
150.57268	4.5
153.00691	4.2
157.10100	30.7
159.11646	50.4
161.13243	16.4
169.10028	6.4
171.11668	19.7
173.13197	24.6
175.14752	5.5
177.12794	4.8
185.13202	18.6
187.14771	17.0
189.16310	17.6
190.95380	5.1
197.13312	5.4
199.14832	9.1
201.16321	8.1
203.17865	4.0
213.16405	14.6
215.17912	6.8
232.96408	5.9
245.93018	4.0
255.20776	5.5
274.97375	61.3
275.97409	5.4
292.98520	64.4
321.25558	6.3
339.18915	21.6
339.26810	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	339.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	8.8
55.71327	0.6
56.96553	11.7
57.03428	1.8
57.07053	4.0
58.03741	0.6
59.04992	0.8
59.86966	0.6
61.02928	1.0
67.05145	1.4
67.05489	34.3
69.03401	3.1
69.07054	6.9
70.07374	0.7
71.04974	100.0
71.08604	1.2
72.25671	0.7
72.33365	0.6
73.06532	1.3
79.05464	4.8
81.03379	0.9
81.07035	83.6
82.07336	0.7
83.08586	2.9
84.95996	4.1
85.02457	0.8
85.02886	9.5
85.06526	16.9
85.23482	0.7
92.08648	0.7
92.63750	0.8
93.06991	1.3
95.08575	13.9
96.08910	3.5
97.02877	1.6
97.06494	4.1
97.10142	4.7
98.06859	1.6
98.97578	4.9
99.04398	0.8
99.08067	11.3
113.09583	1.0
115.07535	8.0
116.07864	1.7
116.98578	4.5
123.08049	3.2
123.11683	25.9
124.08372	1.5
134.99635	1.2
141.09096	6.7
141.12720	69.4
142.09438	3.5
159.10223	5.0
159.13786	26.8
160.10490	3.9
163.03876	0.9
166.88156	0.7
169.01704	1.0
177.05444	4.4
177.14832	21.9
183.03223	0.8
193.01700	3.2
201.04314	1.7
203.02298	1.1
207.03221	4.5
210.02164	0.9
211.02742	3.5
225.04286	6.7
235.02721	1.7
245.03244	0.9
253.03769	1.5
255.01729	6.4
271.04739	1.0
271.70432	0.8
273.02774	1.6
287.83188	0.9
297.02557	1.2
315.03848	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.82639	0.6
55.01857	3.4
55.05507	5.8
55.08748	0.5
57.03417	3.4
57.07063	1.3
58.86291	0.5
61.02908	1.3
61.29652	0.7
63.94699	0.7
66.43649	0.5
67.05505	5.4
69.03413	5.7
69.07047	4.0
70.06588	1.1
71.04973	7.6
79.05464	1.5
81.03408	1.3
81.06596	1.0
81.07038	17.5
83.01316	0.9
83.04958	3.6
83.08578	1.6
85.02880	10.1
85.06548	5.0
85.10197	1.1
87.04421	0.9
89.03864	0.8
90.58746	0.7
91.05449	3.3
93.07012	3.8
94.07331	1.0
95.04943	1.0
95.08582	26.4
96.08909	4.7
97.02866	3.3
97.06492	1.4
97.10150	1.3
98.97598	0.9
99.04432	1.0
99.08070	4.9
103.05455	4.4
105.07005	9.4
107.04939	0.8
109.02904	0.9
112.93181	0.7
113.09629	19.1
114.09941	3.1
115.05444	1.6
115.07571	2.6
116.98589	0.9
117.03329	2.5
119.04934	1.0
120.08141	0.7
121.02801	4.9
123.04376	7.2
123.08054	3.6
123.11672	10.5
124.08325	1.1
127.03902	1.1
131.04869	6.7
133.06482	11.8
135.04387	5.4
141.08234	0.7
141.09071	25.2
141.12744	3.7
142.09399	5.9
145.02802	5.1
147.04379	48.1
149.02335	10.3
149.05956	3.9
157.02881	1.3
159.04376	6.5
159.10144	19.8
159.13792	2.9
160.10477	3.7
161.05994	1.7
162.03241	0.7
163.03865	11.8
163.05150	0.9
175.03804	5.6
177.01801	5.1
177.05417	16.8
177.14819	1.2
187.03786	5.6
189.05374	2.6
203.03357	100.0
205.04842	7.7
207.03012	0.7
215.03336	10.0
219.02820	4.0
229.04907	1.4
231.02837	15.1
233.04366	5.1
261.03912	6.0
274.97427	1.0
279.04819	7.5
291.04913	4.8
339.10574	1.0
339.14340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.1048
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.0
53.65426	0.7
57.03418	1.0
57.44951	1.0
59.69690	0.8
61.02917	1.2
63.63058	0.8
67.05491	1.2
69.03424	6.0
69.07047	1.4
70.85007	0.8
71.04971	4.2
79.05473	1.4
81.03397	3.3
81.07029	2.0
82.65174	0.8
83.08595	0.8
84.08114	1.0
85.02903	16.2
87.00813	6.1
92.08572	0.8
93.07032	1.0
95.04927	3.8
95.08576	4.5
96.08939	0.8
96.27081	0.8
97.02868	4.0
97.06467	1.4
98.97575	1.8
99.04451	4.3
99.08076	1.3
103.05457	1.0
105.01843	4.1
105.07014	100.0
106.07344	31.1
109.02868	1.2
112.53666	1.1
113.05977	4.9
114.06351	1.2
115.07589	0.8
116.98604	1.6
119.01846	1.2
122.08806	1.5
122.09643	26.3
123.04410	0.9
123.08047	4.0
123.10013	8.4
127.03891	5.0
134.99625	1.3
141.05432	11.4
141.09076	10.0
142.05817	6.2
142.09489	2.8
159.06516	4.7
159.10074	1.7
160.06905	1.6
185.04178	1.0
209.02948	1.9
217.49646	1.0
253.05481	1.3
265.65710	0.9
267.07101	1.0
339.10440	46.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	339.0708
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	1.0
53.82639	0.6
55.01857	3.4
55.05507	5.8
55.08748	0.5
57.03417	3.4
57.07063	1.3
58.86291	0.5
61.02908	1.3
61.29652	0.7
63.94699	0.7
66.43649	0.5
67.05505	5.4
69.03413	5.7
69.07047	4.0
70.06588	1.1
71.04973	7.6
79.05464	1.5
81.03408	1.3
81.06596	1.0
81.07038	17.5
83.01316	0.9
83.04958	3.6
83.08578	1.6
85.02880	10.1
85.06548	5.0
85.10197	1.1
87.04421	0.9
89.03864	0.8
90.58746	0.7
91.05449	3.3
93.07012	3.8
94.07331	1.0
95.04943	1.0
95.08582	26.4
96.08909	4.7
97.02866	3.3
97.06492	1.4
97.10150	1.3
98.97598	0.9
99.04432	1.0
99.08070	4.9
103.05455	4.4
105.07005	9.4
107.04939	0.8
109.02904	0.9
112.93181	0.7
113.09629	19.1
114.09941	3.1
115.05444	1.6
115.07571	2.6
116.98589	0.9
117.03329	2.5
119.04934	1.0
120.08141	0.7
121.02801	4.9
123.04376	7.2
123.08054	3.6
123.11672	10.5
124.08325	1.1
127.03902	1.1
131.04869	6.7
133.06482	11.8
135.04387	5.4
141.08234	0.7
141.09071	25.2
141.12744	3.7
142.09399	5.9
145.02802	5.1
147.04379	48.1
149.02335	10.3
149.05956	3.9
157.02881	1.3
159.04376	6.5
159.10144	19.8
159.13792	2.9
160.10477	3.7
161.05994	1.7
162.03241	0.7
163.03865	11.8
163.05150	0.9
175.03804	5.6
177.01801	5.1
177.05417	16.8
177.14819	1.2
187.03786	5.6
189.05374	2.6
203.03357	100.0
205.04842	7.7
207.03012	0.7
215.03336	10.0
219.02820	4.0
229.04907	1.4
231.02837	15.1
233.04366	5.1
261.03912	6.0
274.97427	1.0
279.04819	7.5
291.04913	4.8
339.10574	1.0
339.14340	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2323
Annotation	Unknow
Peak:m/z	Relative Intensity
52.30440	1.1
53.26468	1.1
55.05491	6.9
57.07063	8.0
63.19415	1.1
67.05495	10.3
67.30257	1.1
69.03411	6.3
69.07040	12.9
71.04973	1.5
79.05473	8.3
81.07030	14.1
83.04971	8.9
83.08590	6.5
84.42642	1.1
85.06552	1.7
91.05454	26.4
93.07020	20.3
95.04959	5.3
95.08587	23.3
97.02875	7.0
97.06529	1.9
100.37554	1.3
103.05429	1.2
105.07009	29.5
107.04963	1.6
107.08573	36.7
109.06496	5.8
109.10143	21.6
110.12017	1.2
111.04385	1.6
111.08060	9.6
117.06982	13.4
118.07787	1.3
119.08558	76.3
119.81734	1.2
120.09372	2.3
121.06461	2.8
121.10117	37.5
123.08025	6.4
123.11695	2.5
128.06154	2.5
129.06975	6.1
129.77242	1.2
130.07761	7.1
131.08560	34.4
132.09357	2.5
133.09076	1.7
133.10101	49.4
135.08018	10.5
135.11647	16.1
137.09584	6.9
139.11176	9.1
141.07010	2.8
142.07748	8.5
143.08549	18.6
144.09328	6.6
145.06471	1.4
145.10098	100.0
146.10869	5.2
147.08018	22.8
147.11661	30.5
148.12494	1.5
149.05942	1.5
149.09610	11.0
149.13290	6.1
154.07884	1.9
155.08487	10.8
156.09344	14.4
157.10114	22.8
158.07254	1.6
158.10881	9.1
159.08026	5.9
159.11662	26.0
160.08821	1.3
161.09592	6.7
161.13196	10.2
163.07503	2.8
163.11177	3.1
163.14798	2.4
165.09103	11.5
167.08597	2.3
168.09299	4.5
169.10094	11.8
170.10889	8.2
171.08022	2.7
171.11652	31.3
172.08763	2.4
172.12457	10.0
173.09639	12.5
173.13217	56.7
175.11172	10.6
175.14815	18.8
177.09077	5.0
177.16374	5.3
179.08577	2.3
181.10117	5.1
182.10876	6.9
183.11693	17.3
184.12445	1.9
185.09634	7.2
185.13235	14.9
186.10432	1.9
186.14018	7.3
187.11168	10.0
187.14777	43.8
188.15576	18.8
189.09122	2.0
189.12709	5.5
191.10739	2.2
193.15883	5.9
194.10872	2.5
195.11653	5.4
196.08765	2.3
196.12421	1.4
197.09557	2.3
197.13239	17.5
199.11153	14.0
199.14775	5.2
201.09331	1.3
201.12724	8.7
201.16525	1.5
203.10596	1.9
203.14217	1.3
205.15822	28.2
206.16476	1.8
207.11716	5.2
209.09651	2.0
209.13248	9.4
210.10397	6.5
211.11188	7.1
211.14738	6.1
213.12762	2.1
215.10654	3.1
215.14284	2.6
217.12265	2.3
219.11734	1.8
221.82210	1.3
223.11258	1.3
223.16924	2.0
224.11925	1.5
224.15622	2.5
225.12715	11.3
225.16309	1.9
227.14301	5.5
229.12181	5.9
237.12770	1.7
239.14204	2.0
239.17886	14.7
241.19423	2.2
242.13028	5.8
243.13754	16.4
245.15215	2.8
257.18933	9.8
267.17374	10.3
285.18420	52.1
303.19540	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01856	3.5
55.05502	8.2
67.05482	23.5
69.03403	4.6
69.07045	18.0
77.47357	3.6
78.09285	3.6
79.05462	8.6
81.07030	22.2
83.04968	5.8
83.44789	3.2
91.05453	35.6
93.07014	31.0
95.04930	5.1
95.08578	33.1
97.02851	8.7
98.97552	18.2
105.06991	38.1
107.04939	4.3
107.08553	27.3
109.06503	7.9
109.10122	22.7
111.04389	3.5
111.08074	13.8
116.98603	7.2
117.07005	16.1
119.08558	77.9
121.06506	3.8
121.10119	39.1
123.08011	4.0
123.11697	5.5
125.09609	3.9
129.06966	7.7
131.08569	40.5
133.10095	54.0
134.99615	8.2
135.08012	7.8
135.11613	5.0
137.05946	5.7
137.09558	3.9
142.07718	5.3
143.08566	20.9
144.09396	6.9
145.10100	100.0
147.08035	32.2
147.11673	25.4
149.09639	6.7
149.13239	6.3
155.08574	4.8
156.09331	16.5
157.10114	29.4
158.10904	4.8
159.07967	4.5
159.11661	31.0
161.09645	4.7
161.13272	8.1
163.11194	5.2
165.09052	7.4
168.09328	5.5
169.10092	18.0
170.10869	6.7
171.11635	39.2
172.12410	12.6
173.09599	15.9
173.13223	75.6
175.11176	14.5
175.14754	19.1
181.10033	4.0
183.11638	23.0
185.09557	5.1
185.13252	20.6
186.13986	6.2
187.11121	6.6
187.14740	51.6
188.15553	25.7
189.12747	5.0
191.10588	6.6
192.70256	3.3
197.13159	19.6
199.11095	7.4
201.12761	14.7
205.15840	17.6
209.09508	4.4
209.13074	6.2
211.11185	5.7
211.14784	8.1
213.12856	3.9
215.10556	4.7
224.11732	4.1
225.12691	18.8
227.14294	5.1
229.12111	8.9
237.12747	5.8
239.17950	7.0
243.13829	7.0
257.18915	6.1
267.17419	16.0
281.05951	3.6
285.18457	87.8
292.98453	9.0
303.19461	28.8
303.89453	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	338.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61374	0.7
50.67900	0.9
55.05502	1.8
55.51301	0.8
56.16879	0.7
56.96542	1.0
57.03432	7.1
57.07056	3.8
59.04720	0.9
59.04992	19.7
59.35381	0.7
67.05482	5.6
69.03417	6.1
69.07046	1.5
71.04972	13.6
73.02924	1.0
81.03373	1.5
81.06600	1.2
81.07034	32.7
83.08592	11.2
85.02888	34.1
93.06990	1.1
95.08563	4.2
97.02876	6.3
98.97541	0.9
102.09164	0.9
109.02868	1.3
118.45903	0.9
123.11680	100.0
127.03908	6.6
141.12718	44.5
145.04979	7.3
159.13747	1.1
163.06018	4.4
167.19096	0.9
303.04880	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	338.217
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16582	0.4
53.00304	0.4
53.03923	0.9
55.01867	0.4
55.05506	6.4
56.96563	0.6
57.03422	3.7
57.07071	3.7
58.38270	0.4
59.04989	9.8
61.02916	1.9
62.00585	0.4
67.05495	13.1
69.03421	4.4
69.07051	3.0
71.04979	11.9
74.05350	0.4
79.05480	5.4
79.26077	0.4
81.03406	3.0
81.07040	100.0
83.04929	0.7
83.08609	8.3
85.02892	16.5
85.06550	2.6
91.05465	0.5
93.07015	0.6
95.04994	0.6
95.08590	12.2
97.02869	5.4
97.10147	2.7
98.97583	0.6
99.08073	49.1
105.07029	0.9
107.08601	2.1
109.02857	1.0
109.10173	0.6
112.51530	0.5
113.09628	2.6
119.08580	0.7
120.08063	2.0
121.10146	1.0
123.08023	1.0
123.11685	69.2
127.03908	2.1
135.11642	0.5
141.09085	4.8
141.12701	13.1
141.13715	0.7
145.04979	0.6
151.07556	0.6
153.01791	0.6
159.10149	14.6
159.11423	0.7
159.13829	0.7
195.57396	0.5
267.06985	0.5
339.14035	2.0
346.76614	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.217
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05499	4.7
57.03415	5.9
57.07069	1.5
57.19265	0.9
57.23369	0.9
57.80667	0.9
59.04716	1.7
59.04990	30.0
59.05266	2.1
61.02921	2.6
67.05486	6.7
69.03418	9.3
69.07062	2.2
71.04979	13.8
72.03656	1.0
79.05460	1.2
81.03385	2.3
81.07040	36.1
83.04985	1.2
83.08598	21.9
85.02888	59.7
85.06562	1.7
90.08191	1.0
91.03927	1.2
95.08588	5.8
97.02866	10.3
97.10149	1.5
98.97603	1.1
99.04465	1.4
109.02868	6.3
121.10141	1.1
123.11684	100.0
127.03896	13.8
141.12721	54.1
145.04921	13.9
151.57076	1.0
159.13773	1.9
163.05960	8.8
166.71635	1.0
361.02274	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	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
50.91436	0.5
55.05496	3.0
57.03421	4.4
57.07058	0.6
59.46493	0.5
59.65890	0.5
61.02898	0.7
67.05492	7.9
68.58178	0.6
69.03417	2.6
69.07053	17.5
71.04939	0.5
72.22799	0.6
73.06525	2.2
76.37486	0.5
79.05438	0.8
81.03402	0.5
81.07035	17.0
85.02886	22.5
85.06530	1.1
85.12041	0.7
93.07022	2.5
95.08582	100.0
97.02866	1.1
97.06518	6.0
97.10193	0.7
99.04433	4.9
99.08084	4.9
113.09617	12.8
115.07552	11.6
123.08045	34.4
130.12962	0.6
141.09082	52.0
147.04349	0.7
159.08849	1.0
159.10133	26.8
233.41629	0.7
304.44214	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1958
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56084	0.2
53.91479	0.2
54.81248	0.2
55.01860	0.2
56.96550	0.2
57.03419	0.3
58.77724	0.2
61.02914	0.4
62.19936	0.3
67.05486	2.6
69.03403	1.1
69.07050	2.1
71.04973	4.0
73.02892	0.4
79.05473	1.4
81.03400	1.0
81.07037	1.0
83.04975	0.5
85.02887	4.9
87.04411	0.2
91.63237	0.2
95.04946	5.7
95.08588	2.1
97.02863	1.6
97.06511	0.9
98.97593	0.3
99.04427	2.8
101.06002	0.3
103.05460	1.0
105.07013	100.0
106.07381	0.3
109.02917	0.4
113.05987	6.4
115.07587	0.2
122.09643	30.2
123.04420	0.7
123.08054	1.8
127.03913	0.8
141.05447	19.5
141.09085	9.9
145.04947	0.4
159.06505	7.5
159.10161	1.4
163.03874	0.4
239.43764	0.2
315.43866	0.2
339.10538	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
54.01121	0.3
55.05500	1.5
56.96553	1.6
57.03427	0.8
61.02915	0.5
62.34993	0.3
67.05487	5.6
69.03419	1.7
69.07056	18.3
70.04238	0.4
71.04977	0.6
73.06536	2.2
73.89518	0.3
76.97311	0.4
79.05444	0.5
80.64523	0.3
81.03410	0.4
81.07040	12.8
83.04941	0.5
83.70425	0.4
84.96043	0.5
85.02892	9.3
85.06535	0.6
88.08653	0.4
93.07021	0.8
95.08586	100.0
95.45383	0.5
97.02863	0.9
97.06490	5.7
99.04452	2.3
99.08063	5.2
105.07008	0.5
111.08028	0.4
113.09628	6.0
115.07548	14.5
123.08049	26.5
129.09094	0.6
141.09082	31.9
146.81862	0.4
159.08827	0.8
159.10144	18.3
159.11427	0.8
208.85748	0.4
209.37581	0.4
225.04430	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.7
57.03424	4.4
61.02889	0.7
67.05485	1.6
67.80634	0.4
68.05820	0.4
69.03399	2.6
69.07040	0.9
71.04974	0.9
71.08588	1.6
73.02889	0.5
79.05462	0.9
81.03394	0.7
81.07034	8.9
83.04962	42.6
85.02889	6.6
85.06529	0.8
91.05450	0.4
93.07014	0.9
94.78165	0.4
95.08576	10.6
97.02854	1.9
97.06504	2.0
99.08074	8.4
113.09621	62.5
117.03337	0.4
120.96957	0.4
123.08031	4.3
123.11682	1.6
127.03896	0.5
141.09079	100.0
142.09364	0.4
143.78917	0.4
159.10129	25.4
164.04160	0.4
176.06938	0.4
181.35155	0.4
255.16621	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	338.1442
Annotation	Unknow
Peak:m/z	Relative Intensity
53.30921	0.2
54.81306	0.3
55.05505	0.3
56.04987	0.2
56.96558	0.3
60.04501	0.3
60.05614	0.2
67.05499	0.5
68.04961	0.2
69.03407	1.2
69.07045	1.6
69.19680	0.3
70.06567	0.4
71.04967	0.4
73.02934	0.3
75.23083	0.3
81.03381	0.3
83.04974	0.7
85.02888	1.8
85.06554	0.3
86.09684	100.0
92.09233	0.4
95.04947	0.6
97.02854	0.5
97.06553	0.3
98.06004	0.3
99.04446	0.5
111.04441	0.5
112.05134	0.4
113.05997	0.5
123.04364	0.5
127.03934	0.4
130.12268	1.2
132.10173	39.9
140.07014	0.3
141.05473	2.0
158.08092	0.5
159.06493	1.8
176.07001	0.3
176.12846	0.5
177.06602	0.6
185.84650	0.3
276.12811	0.3
338.17828	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
53.69766	4.9
55.05488	9.5
59.70140	4.1
60.72274	4.3
61.73602	5.3
66.16821	5.5
67.05492	73.7
69.03410	23.2
69.07041	26.2
70.81642	4.7
71.04967	53.3
79.05462	27.1
81.07035	68.9
83.04932	5.5
83.08607	5.1
91.05450	30.5
93.07024	34.1
95.04936	57.1
95.08584	42.0
97.06515	8.6
98.97511	7.1
105.07016	68.2
107.08569	46.2
109.06517	6.1
109.10135	100.0
111.08080	6.0
117.06960	5.8
119.08569	44.2
121.06481	7.1
121.10153	39.9
123.04414	7.4
123.08012	11.7
123.11677	6.8
127.11176	56.1
131.08505	22.7
133.10101	35.4
135.11630	6.4
137.09538	8.5
138.25514	5.1
143.08589	7.7
145.10065	39.7
147.11642	42.7
149.09694	5.4
151.11111	9.1
155.10658	31.0
157.10120	20.8
159.11652	25.2
161.13113	8.1
163.11148	8.5
173.13263	22.0
187.14864	8.1
191.14240	7.3
233.15268	8.7
252.68076	6.1
281.95514	5.9
283.20349	7.2
301.21707	29.2
319.22617	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	337.2216
Annotation	Unknow
Peak:m/z	Relative Intensity
52.51187	1.6
53.03930	2.3
55.01863	7.7
55.05499	28.4
57.03431	14.7
57.07064	7.5
58.07430	1.9
59.04988	2.4
67.05491	86.2
69.03408	16.0
69.07050	30.2
71.04976	32.3
73.06535	2.1
79.05467	46.3
81.03381	2.7
81.07035	100.0
83.04972	18.2
83.08588	11.4
84.96100	2.2
85.02887	7.7
85.06523	35.6
87.04456	22.6
87.89172	1.7
91.05455	30.8
93.07020	61.7
95.04943	8.4
95.08011	3.3
95.08585	68.3
97.02867	2.6
97.06497	16.9
97.10152	2.8
98.97518	2.3
99.04442	3.9
99.08051	12.1
101.05980	15.6
105.07021	26.6
107.04931	3.4
107.08578	40.1
109.06478	4.1
109.10151	23.3
111.08073	8.4
111.15388	1.8
113.06011	9.9
113.09629	16.4
115.03900	7.5
117.06980	12.3
118.60423	2.3
119.08566	30.4
121.10115	40.3
123.04393	2.3
123.08035	10.4
123.11700	4.2
125.09526	3.9
131.08534	18.2
133.10083	18.4
135.11656	45.1
136.03488	2.0
137.05974	2.3
137.09589	2.7
137.13206	3.5
139.11165	4.5
141.05443	4.5
141.09134	14.2
145.10124	20.1
147.11655	4.5
149.09587	2.2
149.13261	2.4
151.11186	2.5
155.07028	3.5
157.12279	2.8
159.10164	10.6
159.11641	11.8
164.07007	12.0
166.05632	2.4
173.13287	6.6
175.13358	2.4
175.14781	4.3
199.09647	2.1
201.16278	19.7
209.11801	2.1
219.17342	10.0
229.15891	2.0
237.18466	15.8
255.19337	2.5
265.17920	43.5
283.15924	2.9
283.18964	62.7
301.20004	10.6
303.77048	2.2
320.97800	2.1
327.43356	2.2
337.17487	3.4
338.81497	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	337.1279
Annotation	4,5-Dihydromelampodin B
Peak:m/z	Relative Intensity
51.79755	1.8
55.72262	1.5
69.34888	2.0
74.21817	1.8
81.05624	2.1
81.81220	1.8
85.02911	7.8
89.05681	1.7
89.80529	2.3
93.18131	1.8
101.78024	1.8
106.68423	2.0
115.05427	2.5
128.06180	2.3
135.80255	2.3
141.06958	2.9
144.05626	2.8
145.06464	9.2
151.07460	2.0
155.04903	2.3
158.07216	9.1
159.07951	2.3
161.05869	7.2
162.06763	2.8
163.07498	4.1
165.05446	9.1
165.09064	3.6
171.04263	2.3
171.08049	4.8
172.08762	2.1
173.05974	12.9
174.06712	13.6
175.07518	19.5
177.08974	3.9
185.05920	3.9
186.06682	8.8
187.03932	3.5
187.07510	4.5
188.08289	10.4
189.05492	5.1
189.09038	15.5
190.06169	9.8
191.06993	11.9
193.04987	4.6
197.05977	7.8
198.06767	4.6
200.08263	3.5
201.05417	12.2
201.09091	10.3
202.06256	9.5
203.03392	3.2
203.07059	22.7
205.04865	4.1
205.08525	3.9
210.06685	2.3
212.08316	9.6
213.05418	8.6
213.09111	3.1
214.06323	3.8
215.07022	3.5
215.10655	9.8
216.07808	5.1
217.05112	2.6
217.08559	55.2
218.05693	11.2
218.09326	4.2
219.06528	26.1
219.10066	8.3
226.06113	4.8
227.07011	4.8
228.07741	26.6
229.04938	9.8
230.05730	4.2
231.10089	22.2
233.08020	52.6
233.11566	3.3
234.08713	2.1
235.05933	19.8
241.08578	15.4
243.06476	2.9
243.10077	20.6
244.07288	16.4
245.08006	50.9
246.05074	8.1
247.06044	14.7
247.09677	3.5
250.08250	2.4
255.06407	3.9
257.07993	2.6
259.09598	40.4
261.07535	35.4
269.08014	20.7
272.06799	19.0
276.09763	2.9
277.10651	12.0
279.08600	25.7
286.08624	2.4
287.09064	100.0
301.10785	3.5
319.11765	50.7
337.12775	28.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.1276
Annotation	Avicennone B
Peak:m/z	Relative Intensity
54.81370	1.5
71.09195	1.2
78.49597	1.5
81.62109	1.3
82.36727	1.3
85.02879	6.7
91.05450	1.3
95.04942	2.1
97.02872	1.8
115.05415	3.3
121.06600	1.6
128.06223	2.2
129.06973	1.9
137.19742	1.6
141.06973	2.0
145.06477	8.6
147.04364	2.3
147.08002	1.8
149.05983	1.6
151.03935	2.0
151.07541	3.0
154.13730	1.6
155.04886	2.1
155.08473	1.7
158.07217	8.7
159.04361	1.8
159.07964	2.9
161.05928	5.9
162.06776	2.5
163.07504	3.4
165.05428	7.2
165.09119	1.8
170.07213	3.1
171.04408	1.9
171.07996	2.6
172.05089	1.6
173.05963	14.1
173.09615	1.6
174.06747	13.3
175.07521	15.4
177.09134	2.9
183.04385	2.0
183.08002	1.5
185.05989	8.7
186.06662	5.9
187.03845	1.9
187.07507	7.9
188.08281	6.2
189.05418	7.3
189.09058	15.2
190.06253	7.1
191.06953	13.8
193.04985	8.0
195.02895	11.2
197.05920	6.4
198.06703	8.8
199.07486	3.3
200.08334	6.0
201.05370	12.3
201.09042	7.0
202.06184	10.9
203.03444	2.5
203.06998	25.1
203.10698	3.3
204.04184	2.1
204.07832	2.1
205.04947	2.0
205.08572	9.3
210.06664	1.7
212.08377	12.3
213.05411	9.6
213.09120	2.6
215.06952	6.3
215.10576	10.9
216.07869	10.9
217.04942	3.2
217.08563	46.9
218.05690	10.8
218.09351	10.5
219.06471	24.4
219.10136	7.4
226.06180	6.6
227.07021	7.6
228.07791	26.6
229.04836	11.0
230.05618	3.5
231.06480	2.7
231.10085	20.2
233.04506	2.0
233.08046	53.1
235.05972	21.4
241.08540	13.1
243.06464	6.0
243.10094	25.2
244.07263	16.7
245.08003	49.7
246.05283	7.1
247.05925	14.2
250.08362	2.5
259.09604	31.7
261.07489	29.9
269.07980	26.0
272.06689	14.8
276.09988	1.9
277.10568	10.8
279.08566	29.8
286.08209	2.7
287.09055	100.0
319.11667	61.9
337.12714	26.2
337.16449	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	337.0891
Annotation	Unknow
Peak:m/z	Relative Intensity
55.37796	1.0
62.61554	1.1
70.06562	1.2
76.56248	1.0
112.52104	1.4
115.27055	1.2
119.01852	1.7
144.41039	1.2
185.02881	1.5
209.21158	1.3
221.05212	1.5
295.08688	5.6
337.08786	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	34.4
57.55943	35.4
67.05489	61.1
79.05448	39.7
79.29237	40.9
81.07050	63.4
91.65804	36.9
93.06988	52.3
95.08595	41.1
103.27878	39.4
103.83080	37.4
105.06996	100.0
107.08595	62.7
109.28872	39.2
119.08585	53.3
123.05433	37.8
158.11649	36.7
209.80392	44.2
253.37444	37.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	337.089
Annotation	Unknow
Peak:m/z	Relative Intensity
50.20856	0.4
51.18930	0.5
51.33113	0.5
54.54123	0.5
55.01856	0.9
55.05499	3.2
57.03439	0.8
59.04974	0.8
61.02913	0.8
67.05492	2.4
69.03410	1.5
69.07055	4.3
71.04975	7.1
79.05460	7.8
80.05772	0.7
81.07040	12.8
82.07358	1.1
83.04967	2.6
85.02879	4.4
91.05428	1.5
93.07021	12.9
94.07346	4.4
94.79293	0.6
95.08586	6.0
96.08916	1.0
97.02851	1.5
97.06512	1.3
98.97578	2.4
105.07016	1.2
107.08563	1.0
109.10103	1.4
119.08473	0.8
121.10115	23.5
122.10454	9.2
126.83951	0.7
131.04912	0.6
139.11131	14.1
140.11455	5.4
157.12210	2.9
158.12378	0.9
163.03850	0.8
175.03578	4.9
185.04150	7.3
195.02901	4.2
197.01213	0.8
215.02190	1.1
337.08887	100.0
338.09167	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.8
55.01861	1.1
55.05509	3.8
57.03424	3.8
57.07071	1.0
61.02914	1.3
63.70675	0.8
64.07424	0.7
67.05490	8.8
69.03420	5.3
69.07054	50.2
70.06578	1.5
71.04977	100.0
72.04460	0.8
76.61456	0.8
79.05479	4.4
81.03387	1.1
81.07035	13.3
83.04973	1.3
83.08623	1.4
85.02894	14.9
86.09711	3.4
90.01544	0.9
90.90803	0.8
91.05469	2.0
93.07024	23.2
95.04964	1.1
95.08594	27.8
97.02863	3.8
97.06498	8.0
98.97620	1.3
99.04441	1.5
105.07018	3.6
109.02902	1.3
109.10143	60.2
110.10460	1.6
111.08066	10.5
120.08103	3.3
121.10123	69.5
123.08036	1.0
127.03898	1.5
127.11168	16.9
139.07524	8.6
139.11157	46.4
145.04927	1.0
155.10736	1.4
156.11052	1.3
156.13864	1.3
157.08630	8.0
157.12228	47.0
163.03947	1.2
172.36771	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.5
55.01864	0.5
55.05500	4.8
57.03413	3.0
59.04976	2.1
65.20850	0.5
67.05482	2.7
69.03400	2.6
69.07050	7.7
69.82389	0.4
71.04979	6.1
79.05473	18.7
81.03391	0.6
81.07033	50.2
83.04504	0.8
83.04958	10.3
83.08575	0.5
85.02887	6.2
91.05444	4.7
92.09279	0.8
93.07015	50.0
95.04923	0.9
95.08588	14.4
97.02870	3.0
97.06495	4.4
97.10124	0.8
98.97661	0.5
105.07014	3.4
109.10101	1.0
113.91294	0.5
119.08556	0.8
121.10113	100.0
123.08037	1.0
127.02624	0.5
127.03838	0.8
137.09615	0.6
139.11150	56.8
157.12239	2.6
164.90755	0.5
195.02904	1.1
337.08844	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	336.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
50.47272	0.4
53.03933	3.4
55.01856	2.1
55.05502	4.1
56.96554	0.7
57.03411	1.1
60.50615	0.4
61.02892	2.6
67.05492	10.3
69.03400	4.3
69.07045	2.1
70.06564	0.6
71.04966	3.2
73.02908	0.6
79.05473	3.3
79.26823	0.4
81.03387	1.1
81.07032	2.9
83.04965	1.0
83.08598	2.2
85.02892	14.2
85.06532	0.5
86.09675	0.5
87.04461	1.0
91.05457	21.5
93.07021	100.0
95.04951	10.5
95.08582	10.6
96.08944	0.5
97.02856	5.1
97.06512	6.9
99.04430	0.5
103.05443	0.8
105.04501	1.0
109.02844	0.7
109.06503	0.8
109.10107	0.7
111.08066	16.2
113.05973	0.5
120.08113	0.5
121.06479	42.4
121.10107	0.8
127.03919	0.9
138.09891	0.7
139.07518	51.3
145.04993	0.7
157.08557	8.8
157.09692	1.6
174.09090	0.9
203.24669	0.5
264.05399	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2788
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05260	2.0
55.05505	32.0
57.07078	10.5
61.01583	1.0
67.05492	34.9
69.07056	49.4
71.04973	7.7
71.08603	2.0
79.05480	21.1
81.07041	93.3
83.04981	1.5
83.08611	16.7
85.06532	5.2
90.77966	1.2
91.05460	10.4
92.09312	2.5
93.07022	45.4
95.04939	1.6
95.08588	100.0
97.06491	3.1
97.10155	19.4
99.08112	2.0
101.06042	1.2
105.07018	13.2
107.08587	39.7
108.02072	1.2
109.10144	46.7
111.08092	2.3
111.11710	7.3
113.09595	1.7
119.08553	12.3
121.10129	32.7
123.11684	29.9
125.09605	2.1
129.09122	1.3
133.10115	12.2
135.11678	31.6
137.13249	29.0
139.11176	2.7
144.78654	1.2
145.10106	1.3
147.11671	11.5
149.13243	27.7
161.13266	5.4
163.14786	16.1
175.14806	7.8
177.16351	2.8
189.16396	9.2
191.17946	5.5
196.50757	1.3
202.74232	1.4
242.57526	1.3
245.22588	29.6
263.23654	15.0
281.24680	32.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	336.165
Annotation	Unknow
Peak:m/z	Relative Intensity
51.00257	0.8
51.78801	0.7
53.03924	1.8
55.01857	5.0
55.05500	4.3
56.15089	0.7
57.03416	3.6
61.02906	3.7
66.87375	0.8
67.05493	14.8
69.03405	7.1
69.07051	1.3
71.04955	1.4
75.74629	0.7
79.05471	5.4
81.03397	1.4
81.07037	3.4
83.04964	1.1
85.02892	14.5
91.05460	22.0
92.09347	1.9
93.07021	100.0
95.04946	16.9
95.08590	18.2
97.02871	48.5
97.03425	1.0
97.06509	12.7
98.97545	1.3
99.04435	1.5
103.05437	3.9
105.04493	1.4
107.04935	1.8
109.06507	12.8
109.94448	0.8
111.04414	0.8
111.08071	21.6
121.06484	58.1
127.03865	1.0
133.48407	0.7
139.03874	4.5
139.07529	37.8
139.08601	1.3
145.04895	1.0
150.30838	0.9
157.08568	73.9
177.85802	0.9
189.58006	0.8
231.89140	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92020	0.6
51.76129	0.8
53.03953	0.8
55.01846	1.0
55.05503	17.9
56.96537	0.9
57.07057	5.4
58.99671	0.7
60.11866	0.6
67.05489	27.9
69.03385	1.3
69.07051	29.1
71.04975	6.6
71.08591	0.9
73.39194	1.0
79.05466	14.8
81.07036	100.0
83.08602	13.3
85.02893	1.0
85.06531	12.2
91.05457	6.2
93.07024	35.4
95.08580	84.5
97.06493	4.2
97.10139	8.7
99.08067	8.1
105.07010	16.1
107.08572	38.5
109.06512	1.0
109.09381	2.0
109.10136	52.9
111.08070	3.3
111.11709	3.8
113.09609	11.9
119.08540	13.6
121.10108	28.4
123.04376	1.1
123.11678	23.3
125.09602	4.5
129.50348	0.8
133.10097	12.9
135.11661	32.8
137.13222	10.1
139.11137	1.3
147.11678	11.9
149.13237	27.1
151.14828	1.8
153.12730	1.5
155.14204	1.3
161.13228	8.4
163.14778	22.6
165.16364	4.4
175.14766	11.2
177.16354	4.8
181.76790	1.1
183.08069	1.0
189.16335	10.1
191.17900	1.3
197.05875	0.9
198.57175	0.9
201.09123	4.2
203.17935	3.4
225.09074	4.6
245.22552	25.7
253.08496	1.5
254.09143	0.8
263.23633	26.8
271.09720	1.5
281.24692	9.8
287.17029	1.0
292.90347	1.0
299.25784	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	335.2188
Annotation	Unknow
Peak:m/z	Relative Intensity
53.02208	2.3
54.81430	2.1
55.05491	3.7
66.91532	2.5
67.05516	4.1
69.07067	2.6
81.07035	4.3
93.07018	5.6
95.04922	2.8
95.08569	5.5
97.06523	2.6
99.87238	2.7
105.07003	13.0
107.04932	4.7
107.08591	5.5
121.10071	2.7
131.04912	9.4
131.08562	2.9
143.91411	2.8
147.04353	3.0
192.50276	2.5
269.11761	12.6
295.08054	3.4
313.09064	4.5
314.09521	3.5
317.21185	3.1
317.24780	4.3
335.17599	4.4
335.21835	100.0
335.25769	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	335.2191
Annotation	Unknow
Peak:m/z	Relative Intensity
53.54859	1.2
55.05500	3.2
57.03411	2.8
67.05495	17.9
69.07050	2.1
73.78880	1.2
79.05476	6.2
79.95870	1.2
81.07034	11.3
83.25134	1.3
91.05447	5.1
93.07030	8.0
95.08585	9.9
98.94774	1.5
105.07017	6.7
107.08568	2.6
109.10145	2.6
113.52065	1.3
119.08554	2.4
121.10164	3.3
125.20152	1.4
125.43962	1.4
133.10138	2.5
146.04918	1.6
177.05428	2.1
178.06206	2.1
233.11792	1.7
242.86470	1.5
335.21933	100.0
335.25769	12.0
340.19199	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.185
Annotation	Unknow
Peak:m/z	Relative Intensity
50.95254	2.3
51.14215	2.1
52.86310	2.4
53.03936	2.3
53.61440	2.4
55.01875	12.3
55.05502	34.8
56.55673	2.8
57.07061	6.1
59.04990	2.8
67.05498	37.4
69.03420	3.5
69.07054	70.2
71.08611	13.4
79.05474	41.1
81.03391	12.7
81.07033	31.0
83.04958	18.5
83.08605	6.9
85.02908	3.2
91.05467	28.3
93.07022	35.9
95.04951	11.7
95.08558	37.0
97.06503	48.8
99.08089	18.9
101.05952	3.9
105.07016	44.4
107.08578	97.7
109.06526	18.3
109.10160	30.5
111.04436	6.8
111.08079	16.7
117.06982	13.4
119.08560	57.7
121.06512	5.2
121.10120	48.4
123.04416	7.1
123.08080	14.3
125.09583	3.6
127.23490	3.3
128.06097	3.9
131.04901	7.2
131.08568	18.3
133.10104	48.4
135.04497	2.9
135.08031	30.0
135.11674	31.1
137.09598	21.8
142.07767	4.9
143.08524	5.6
145.06491	15.5
145.10112	35.1
147.04448	6.6
147.08051	12.9
147.11638	23.1
149.06065	3.5
149.09612	20.4
151.03966	3.8
151.07549	3.6
151.11151	4.3
156.09290	5.7
157.10144	14.9
159.04440	3.1
159.08058	17.7
159.11653	31.8
160.05142	12.3
160.08723	4.4
161.05920	6.2
161.09592	27.9
161.13277	18.1
163.03894	6.7
163.11156	11.9
165.07021	3.6
169.10097	3.8
171.11662	17.3
173.09602	19.6
173.13248	20.3
174.10498	4.2
175.03891	5.6
175.11153	39.5
177.05475	7.3
179.10703	4.5
181.12213	5.5
183.11732	3.8
185.13307	4.9
187.03796	4.2
187.11211	20.5
187.14735	4.7
189.05426	33.2
189.12685	23.2
189.16368	6.2
195.11670	4.0
197.05869	4.6
199.11118	5.3
199.14822	5.0
201.09036	36.1
201.16393	6.3
202.09926	18.6
203.07008	30.2
203.10680	14.6
210.14085	5.7
215.17863	4.4
217.12326	3.4
217.15868	4.6
225.16437	12.4
229.08609	3.5
229.15776	3.8
231.10188	13.6
243.17430	12.2
245.11658	42.0
253.15721	3.8
255.10159	5.1
261.18365	6.8
271.09470	3.5
271.16910	5.5
275.09171	14.1
289.10684	7.4
289.17834	21.0
293.06534	3.9
299.09158	7.4
307.19003	100.0
317.10223	15.2
317.17337	17.1
335.11270	48.1
335.18353	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	335.1807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.0
55.01862	2.2
55.05493	5.7
56.05028	23.4
56.96552	2.1
57.03444	2.7
60.04503	4.6
61.02919	6.8
62.13111	0.8
62.84100	0.8
69.03409	9.8
69.07030	4.8
70.06579	9.3
71.04971	1.9
72.04494	1.5
72.08109	1.2
73.02885	1.9
74.06055	0.9
79.05450	1.2
80.04992	1.4
81.03398	15.4
83.04967	1.1
84.04475	1.7
84.08131	10.6
85.02361	1.0
85.02886	50.1
86.09689	91.8
93.07002	1.0
96.08091	2.0
97.02876	16.5
98.06033	20.1
98.97533	1.7
99.04419	4.4
99.05531	1.1
108.08044	1.4
109.02857	5.0
112.07584	6.2
114.84789	0.8
116.07079	12.8
120.08120	1.1
126.05478	13.1
127.03889	16.6
130.08664	8.0
132.10173	23.0
140.07019	1.2
143.00177	1.2
144.05434	1.9
144.06534	41.3
145.04944	15.6
152.07065	1.2
155.08147	3.7
158.08073	3.8
161.01218	1.2
163.06017	2.1
173.09204	1.8
177.00708	1.3
180.10143	1.1
181.00031	0.9
186.07574	100.0
198.04344	1.1
200.09297	1.0
204.08617	6.5
218.10173	2.0
223.01120	1.0
237.02682	1.5
300.14288	4.3
318.15411	6.8
335.13470	1.7
344.51743	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1526
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94647	0.7
53.03930	1.2
55.01854	1.8
56.96539	3.6
57.03432	6.0
61.02914	8.4
67.05481	2.1
69.03412	18.2
69.07051	0.9
70.03741	4.4
71.04952	1.6
73.02888	4.6
77.00967	0.9
79.05429	0.8
81.03381	6.7
81.07027	1.7
82.03724	2.1
85.02884	64.8
86.03204	18.6
87.04440	1.8
90.44340	0.9
91.03910	1.9
91.05458	17.6
92.05778	11.5
95.04940	3.4
97.02869	18.5
98.03194	7.1
98.97559	3.2
99.04429	1.7
105.07018	1.4
108.35077	0.9
109.02858	5.4
109.06510	3.6
110.03184	0.9
113.05980	15.1
116.98592	1.5
119.04910	13.2
120.05244	11.2
121.02850	1.2
127.03886	7.9
127.07596	1.0
128.04199	3.9
137.05943	100.0
138.06288	92.7
145.04901	6.7
146.05264	1.8
147.04309	1.4
151.03859	4.4
151.07492	1.8
155.06981	19.1
156.07393	6.5
163.03831	1.9
167.07051	1.3
173.00493	1.0
173.08078	0.9
177.16214	1.0
180.08597	1.7
181.08965	1.1
198.01483	1.2
199.02769	1.3
219.01663	1.6
231.01631	1.4
237.02776	4.3
264.09338	1.3
282.10370	1.2
304.67773	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1309
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81744	0.4
61.63570	0.4
67.05480	0.4
68.95613	0.4
69.03406	1.9
69.87372	0.4
83.04964	0.5
84.08113	0.4
85.02885	4.2
91.05432	0.5
92.08714	0.5
95.04929	0.7
97.02861	1.9
98.97575	0.5
109.02886	0.5
111.04458	0.8
119.01827	0.5
120.26755	0.4
130.06482	1.7
131.01927	0.9
134.05931	0.4
137.02299	3.0
137.05980	2.2
138.02646	0.8
138.05431	0.6
138.06348	0.7
143.01886	0.7
146.06099	0.5
152.26851	0.4
155.01967	0.5
155.03397	2.4
156.03676	0.9
156.06558	0.9
156.36011	0.5
160.68832	0.5
161.02893	1.1
172.07532	0.5
172.09625	0.6
173.06520	1.6
173.07854	6.5
185.06549	0.9
191.07642	0.7
203.07645	0.6
217.29547	0.5
221.05048	0.7
240.47722	0.5
275.09662	0.6
293.10706	0.7
295.09818	0.5
335.13071	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1121
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.1
53.32626	1.1
53.62175	0.9
55.01852	1.2
55.05492	4.6
67.05492	6.0
68.99769	1.5
69.07046	7.2
70.06569	1.2
71.04958	1.9
72.08130	2.7
73.25473	1.0
74.67293	1.2
79.05464	7.1
81.07036	29.3
85.02872	2.5
85.06517	5.0
91.05451	2.4
93.07006	5.7
93.95430	1.2
95.04927	1.3
95.08575	15.0
97.02876	1.7
97.10139	1.5
105.07049	4.2
107.08563	2.2
109.10138	5.8
111.11691	1.6
115.05464	2.1
117.07000	2.5
119.08574	1.7
121.06522	1.6
121.10119	1.5
123.04401	21.4
123.11649	1.7
129.06941	2.3
131.04921	1.6
131.08595	1.4
133.10088	1.8
137.13222	6.5
140.14606	1.1
141.06967	10.5
142.07828	1.4
143.08528	1.9
144.05737	1.1
145.06497	1.7
145.10110	2.6
147.11601	1.2
152.06172	7.1
153.06943	8.5
154.07719	2.2
155.08533	11.1
157.06454	2.1
157.10132	2.7
159.08041	8.0
165.06950	9.6
166.07739	6.9
167.08479	2.4
168.05673	2.8
169.06450	7.1
169.10046	11.6
173.05937	8.6
173.09615	2.2
173.53221	1.2
178.07768	4.0
179.08514	17.9
181.06467	6.4
181.10098	16.3
182.07283	2.4
183.07996	19.1
184.05148	4.4
185.05960	5.0
185.09549	9.8
187.07498	22.2
187.08925	1.5
189.06924	1.8
191.08592	7.9
193.06436	2.9
194.07243	12.2
195.08115	3.9
197.05946	14.4
197.09576	20.2
199.07599	9.4
201.09076	84.5
207.08011	20.6
208.08739	1.7
209.09569	44.1
210.06757	7.2
211.07500	29.0
212.08301	2.2
213.05505	2.1
213.09055	5.1
214.80583	1.0
219.07991	2.0
221.06039	2.1
225.05415	10.7
225.09062	100.0
226.06284	2.2
227.06805	1.1
227.10501	2.0
229.08575	12.0
230.49651	1.5
232.10994	1.6
235.07507	9.2
237.09081	18.2
238.06224	6.9
239.07025	10.6
243.10156	1.7
247.09798	1.2
253.08534	73.4
254.09326	16.9
255.10246	8.1
257.08081	9.0
271.09610	35.0
281.08026	26.3
289.10641	7.3
299.09055	31.1
317.10120	6.4
335.11127	2.4
342.36102	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	335.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
51.75245	0.8
53.00305	1.1
53.03921	1.2
55.01862	2.7
55.05503	28.4
56.39750	1.2
57.03420	2.5
57.07069	8.4
58.54868	1.1
59.04997	1.9
67.05492	39.5
69.03418	1.2
69.07054	57.7
71.04976	6.8
71.08607	1.9
79.05479	23.8
81.07037	95.4
83.04951	1.6
83.08601	19.9
85.02879	4.4
85.06532	22.1
91.05466	13.5
93.07023	50.0
95.04949	4.6
95.08585	100.0
97.06526	2.5
97.10144	11.8
99.08053	14.5
105.07017	25.0
107.08579	56.3
109.06503	2.0
109.10140	66.4
111.08081	5.9
111.11699	6.1
113.09626	5.1
117.07013	1.9
119.08555	21.9
121.06506	1.2
121.10118	31.1
123.04403	20.5
123.08061	2.3
123.11672	20.2
125.09615	6.7
127.07529	4.7
127.11211	1.6
129.06952	2.4
129.08971	3.5
129.12772	1.2
131.08514	1.7
133.10117	24.4
135.07982	1.7
135.11650	35.5
137.09639	1.6
137.13248	12.5
138.12669	1.2
141.06995	2.5
143.03319	1.1
145.06432	1.2
145.10117	1.3
147.11668	17.4
149.13239	23.3
151.03914	1.3
151.14758	2.1
153.06979	5.6
153.12740	2.3
154.07759	1.7
155.08536	6.4
155.14305	2.0
157.06415	1.4
159.08022	4.9
161.13229	12.5
163.14784	21.0
164.85181	1.0
165.06984	6.1
165.16319	1.1
166.07756	4.8
167.08527	1.7
168.05695	2.0
169.04942	7.6
169.06502	6.1
169.10110	6.0
172.65395	1.2
173.05992	5.0
173.09573	1.5
173.15378	1.6
175.14789	16.0
177.05498	1.2
177.16350	4.5
179.08495	13.4
179.18011	1.2
181.06441	5.1
181.10124	8.2
182.07260	1.6
183.07997	15.5
184.05136	4.3
185.05986	1.5
185.09625	4.2
187.07503	14.2
189.06866	1.5
189.16365	18.8
191.08504	2.4
193.06427	1.9
194.07333	7.7
195.08080	2.1
197.05975	7.3
197.09573	9.1
199.07587	8.4
199.11188	1.1
201.05409	1.2
201.09090	51.1
203.17941	5.0
207.08038	14.6
207.17310	1.5
208.08836	1.9
209.09593	26.7
210.06754	5.2
211.07510	18.6
212.08253	1.8
219.08000	1.3
221.05949	2.3
225.05450	7.2
225.09058	63.3
226.06180	1.2
227.10732	1.8
229.08572	9.2
235.07529	6.4
237.09030	10.2
238.06233	5.1
239.07040	6.4
243.10098	1.3
245.22620	35.2
251.09494	1.1
253.06065	1.4
253.08536	43.8
254.09212	8.0
255.10152	2.5
257.08044	5.5
263.23639	36.6
271.09631	21.1
281.08026	16.8
281.24701	19.6
289.10648	6.3
299.09021	18.4
299.25967	1.2
317.10101	2.0
335.11145	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2948
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81544	0.8
55.05510	11.7
56.05030	4.2
56.96560	1.4
57.07061	5.2
60.04517	100.0
62.59356	0.9
67.05499	15.4
68.05003	0.9
69.07052	9.7
71.04979	1.1
72.04493	1.3
74.06064	1.9
79.05469	8.2
81.07045	14.2
83.04961	5.1
83.08613	6.8
91.05456	4.7
93.07041	6.8
95.04962	2.2
95.08581	15.2
97.06509	1.4
97.10148	3.7
98.97559	2.3
100.04375	1.0
101.06020	6.8
102.05556	1.4
105.07027	3.8
107.04958	1.6
107.08575	4.3
109.10147	6.2
111.04420	7.1
116.07076	1.8
116.98598	2.0
119.08598	2.4
121.10110	1.1
123.11671	1.0
129.05426	4.5
133.10135	1.2
135.11676	1.7
137.05997	3.0
147.06554	1.7
151.07520	4.4
153.05414	1.5
153.12767	1.4
167.15221	0.9
170.80974	1.0
171.13737	1.3
263.23453	1.1
269.05469	1.3
280.26306	6.3
298.27420	9.9
311.06573	1.2
314.50192	0.8
316.28418	23.8
334.29459	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.2946
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70352	0.3
55.05508	0.7
56.04596	0.3
56.05027	6.8
57.06807	0.5
57.07067	7.5
58.06591	10.9
60.04518	2.8
67.05496	0.3
68.04996	0.6
69.07056	0.7
70.06580	1.2
71.08613	3.9
72.08142	4.4
74.06055	7.3
75.04472	0.3
85.10167	1.6
86.06049	6.1
87.04440	0.5
88.07611	64.2
89.05986	1.1
92.09324	1.0
100.07622	2.4
102.09158	1.5
104.07093	5.8
108.10814	0.3
116.98637	0.4
118.08634	1.8
128.56502	0.3
130.62794	0.3
132.10181	17.6
162.11214	3.8
166.10721	3.0
210.22194	0.6
228.23190	0.5
242.24736	49.6
254.24730	2.0
282.41357	0.3
286.27335	17.1
311.06482	0.5
316.28461	2.6
334.29449	100.0
335.29803	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	1.3
55.01852	3.0
55.05499	3.2
56.96544	0.7
57.03426	3.5
57.07064	1.1
61.02906	2.0
67.05488	35.4
69.03411	4.8
69.07042	7.4
70.06612	0.8
71.04970	3.2
73.02867	1.1
79.05451	6.0
81.03383	5.7
81.07034	11.9
83.01321	0.8
85.02881	20.6
86.09689	5.2
91.05460	6.6
93.07016	26.1
93.07568	1.7
95.04945	50.1
95.08581	89.0
97.02868	5.0
97.06511	1.3
97.10155	1.1
99.04375	1.8
100.71160	0.8
105.07009	1.1
107.08581	11.9
108.08888	0.9
109.02905	1.1
109.06504	29.5
109.07256	1.0
109.10135	63.2
110.10497	1.5
111.08069	1.3
115.84662	0.7
119.08556	16.7
121.10155	1.5
127.03895	2.0
130.06528	1.1
133.10121	1.0
135.11662	3.4
136.12006	5.1
137.09589	100.0
143.02190	0.8
145.04921	1.3
153.12703	0.9
155.10637	54.7
158.05952	1.5
175.08612	2.1
221.09175	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33878	0.5
53.03937	1.1
54.50154	0.5
54.81602	0.4
55.01865	4.4
55.05483	0.8
57.03418	1.3
58.60658	0.5
59.04992	1.0
61.02906	2.1
65.03937	0.6
67.05494	10.6
69.03416	5.3
69.07049	2.8
71.04986	1.7
73.02888	0.7
79.05463	2.7
81.03391	2.9
81.07050	6.5
83.04958	0.6
85.02891	13.5
91.03910	0.6
91.05428	2.3
93.07021	8.8
94.07351	0.7
95.04947	56.0
95.08582	21.8
97.02885	4.1
97.06516	3.1
99.04411	0.7
107.08575	3.2
109.06501	63.1
109.10143	20.2
111.08083	0.7
112.32597	0.6
116.72133	0.6
118.91944	0.5
119.08562	4.9
121.10169	0.8
123.04385	1.1
127.03878	1.2
137.09593	100.0
145.04948	1.1
153.12695	0.6
154.13190	0.7
155.07005	1.2
155.10641	15.7
158.96623	0.5
179.13098	0.6
196.56046	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1495
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	0.7
55.01860	1.2
57.03433	3.6
57.23505	0.6
61.02918	6.7
69.03420	10.5
70.51458	0.5
71.04990	2.1
73.02888	2.1
73.27676	0.5
73.38519	0.5
81.03407	3.8
81.92570	0.5
85.02895	44.2
87.04455	0.9
91.03938	1.3
91.05467	19.0
97.02872	11.9
99.04436	1.2
105.07047	0.7
109.02879	3.7
109.06501	1.0
119.04923	15.1
127.03906	5.7
133.06598	0.6
137.05966	100.0
145.04927	5.2
151.07539	1.0
155.07040	6.4
161.06007	0.7
165.05405	0.9
175.07549	0.7
179.07094	1.1
180.08676	3.4
203.06906	0.7
221.08147	0.8
263.09070	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	334.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.7
57.03420	3.1
61.02915	5.1
67.62941	0.5
69.03410	8.8
71.04962	1.2
71.16566	0.6
73.02901	1.3
80.44855	0.5
81.03410	4.0
85.02888	36.6
91.03938	1.4
91.05459	16.0
97.02863	8.8
97.20507	0.5
97.50897	0.6
99.04438	0.9
109.02864	3.7
109.06516	0.7
119.04903	9.9
127.03869	4.5
133.67877	0.6
137.05956	100.0
145.04965	5.1
155.07010	6.6
179.07127	1.0
179.91217	0.7
180.08636	3.8
203.06995	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
50.51864	4.1
52.79579	5.7
54.51948	4.6
58.06585	5.2
67.05486	8.6
69.07037	6.9
81.07055	7.6
88.07661	20.3
91.05423	5.3
91.71807	4.3
93.07024	9.3
95.08583	9.9
105.06994	7.6
119.08479	10.0
133.10072	5.2
139.70639	6.2
146.67667	5.0
315.19238	29.9
332.31552	21.7
333.16696	9.4
333.20331	100.0
333.31735	8.6
338.56693	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	334.1129
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
53.54758	0.5
55.01851	0.8
55.05498	0.8
57.03417	2.2
61.02902	3.2
65.03919	1.0
69.03413	8.4
70.06577	1.1
71.04977	2.1
73.02884	2.1
76.08224	0.5
81.03400	5.8
81.07031	0.6
81.40245	0.5
81.51945	0.6
84.04460	0.8
84.08132	2.9
85.02886	31.5
86.09659	0.7
87.04454	0.6
91.03934	0.6
91.05482	0.6
93.03368	0.9
96.08105	1.1
97.02856	6.5
98.97548	1.1
99.04408	1.2
108.08113	1.1
109.02850	5.7
110.05988	0.7
111.04423	8.1
112.04726	0.7
119.02591	1.0
119.04926	1.2
124.07551	4.3
126.09148	0.9
127.03902	5.9
136.07608	3.7
137.02312	100.0
137.05919	4.5
139.03888	2.5
140.04190	1.0
142.08611	0.7
145.04909	3.9
154.08578	9.8
155.03369	59.9
155.06949	1.2
163.03818	0.7
171.06496	0.7
172.09633	13.0
180.08578	0.7
197.32477	0.6
228.05513	0.8
260.10938	0.7
264.43054	0.6
334.15155	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2033
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81749	1.2
55.72193	1.3
56.96553	2.2
57.07058	2.6
60.39157	1.2
68.03263	1.2
69.07043	2.6
70.06583	5.9
74.11323	1.2
81.07019	5.4
87.04447	9.3
88.07606	3.3
89.05996	1.4
91.05466	1.8
93.06989	5.2
102.09140	2.2
102.77700	1.3
107.04927	6.7
107.08587	2.0
116.98615	1.5
117.03070	1.4
121.51318	1.3
138.52669	1.3
142.50536	1.4
161.06003	1.5
188.04645	6.1
203.07018	8.4
206.76825	1.4
231.06509	1.9
270.27899	2.6
271.28159	2.4
332.31519	9.1
333.16809	5.5
333.20285	100.0
333.31653	12.6
344.43234	1.5
346.30707	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
53.27435	1.8
53.45454	1.5
57.07069	2.9
57.14346	1.5
62.70232	1.6
66.76677	1.8
67.05500	1.8
70.06567	1.7
76.42543	1.6
79.05460	2.9
81.07042	3.4
96.65880	1.9
106.28496	2.0
119.08514	2.0
149.02216	2.2
154.47083	1.9
193.04880	2.6
249.85678	1.9
271.13687	2.8
333.16678	8.7
333.20282	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.2032
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81589	1.1
56.30309	1.1
63.98190	1.2
67.05456	2.5
79.05460	1.6
81.07031	1.8
86.71509	1.3
87.75231	1.6
91.05433	2.1
93.07023	2.3
95.08587	1.6
98.97584	1.9
107.08555	2.8
116.98583	1.8
119.08566	1.4
123.08038	1.3
134.99632	1.8
145.10139	1.5
315.19400	1.6
333.16641	9.1
333.20264	100.0
344.70453	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	333.1904
Annotation	Betulalbuside A
Peak:m/z	Relative Intensity
52.55915	1.0
53.03941	1.2
55.05498	5.2
55.47466	1.1
57.03424	1.5
58.77661	1.1
59.04980	4.2
67.05490	3.9
69.03419	1.2
69.07043	6.4
70.41082	0.8
71.04607	2.2
71.04974	37.0
72.93668	1.4
73.06540	10.6
79.05475	10.5
81.07037	48.6
83.08627	1.3
85.02880	8.2
91.05452	4.8
93.07023	28.7
95.08582	4.6
105.07012	1.2
107.08577	21.0
109.10143	2.4
131.04886	1.2
131.05898	1.0
135.11665	35.8
137.05977	7.6
153.01810	1.2
153.12717	100.0
162.05498	1.4
167.06993	8.5
241.36412	1.0
273.03763	1.6
276.05417	1.0
301.03406	2.5
318.03644	1.8
333.06003	13.9
350.59479	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1904
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.03930	4.6
53.11533	0.9
54.81624	1.3
55.01651	1.3
55.01863	16.2
55.05499	22.4
57.03426	47.5
57.06779	1.9
57.07063	49.6
59.04973	1.8
61.02679	1.0
61.02914	17.1
67.05489	21.4
69.03413	29.5
69.07050	25.3
71.04976	5.5
73.02904	8.3
73.06515	1.3
79.05461	9.7
81.03400	13.2
81.07034	57.3
82.11567	1.2
83.04961	32.6
83.08588	10.7
84.04491	1.4
85.02887	100.0
85.06525	17.2
87.04434	1.8
87.08079	1.5
87.76618	1.0
89.09965	1.1
91.03931	6.2
91.05451	6.4
93.07016	14.7
95.04935	6.3
95.08581	14.8
97.02870	28.1
97.06511	10.3
97.10104	2.2
99.04427	6.1
99.08073	22.7
105.07005	4.8
107.08554	14.7
109.02862	10.0
109.06508	8.9
109.10136	52.4
110.09693	1.3
111.08058	14.2
117.07026	1.6
119.08568	2.6
121.10111	6.5
123.04434	1.9
123.11684	1.8
125.09577	2.7
127.03868	15.4
127.11166	32.7
133.10114	2.3
135.08049	8.5
135.11693	6.7
135.53423	1.1
137.05943	4.8
137.09512	1.3
137.13203	4.6
143.08510	1.2
145.04912	14.4
147.11726	1.5
149.09561	1.6
149.13255	1.4
151.07600	1.3
151.11160	4.6
153.09087	4.6
153.12714	36.5
155.14276	32.6
159.11708	1.6
163.05920	1.8
165.12613	1.2
167.06987	2.3
171.10181	2.1
171.13765	20.8
177.12689	1.6
195.13838	2.7
217.07788	1.2
224.07689	1.5
235.73975	1.3
239.11375	1.2
253.14223	1.4
333.14676	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1904
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
52.59087	1.8
53.00303	2.8
53.03917	2.5
55.01856	17.1
55.05303	1.6
55.05504	27.9
57.03430	28.2
57.07068	22.2
59.04972	4.2
61.02905	14.7
67.05498	21.5
67.16434	2.3
69.03419	35.5
69.07059	39.8
71.04975	47.4
73.02871	3.9
73.06534	5.0
79.05470	21.2
81.03385	15.1
81.07038	56.0
81.07489	4.2
83.04953	14.8
83.08604	10.0
85.02887	100.0
85.06534	4.3
87.04433	2.6
88.54708	2.1
91.05450	21.9
93.06478	3.5
93.07013	47.1
95.04934	10.7
95.07999	3.4
95.08584	50.3
96.04446	4.1
97.02876	31.7
97.06505	22.8
99.04444	4.2
99.08084	4.5
100.68775	1.9
101.42947	2.2
103.03913	2.2
105.07005	11.0
106.41741	2.0
107.08570	57.4
109.02847	10.5
109.06505	14.6
109.10139	36.6
111.08060	30.8
117.07016	2.9
119.08558	13.5
120.08033	3.3
121.06438	3.3
121.10130	2.3
123.04394	3.0
123.08047	4.9
125.09599	11.6
127.03883	15.3
127.11158	14.5
131.08582	4.5
133.04912	2.3
135.08029	12.4
135.11659	46.1
136.46432	2.3
137.05981	3.4
137.09586	2.8
137.13200	4.5
145.04944	13.0
145.06496	2.2
145.10120	3.6
151.07501	2.7
151.11095	2.5
153.09077	11.5
153.12729	83.5
155.14261	14.1
165.12718	11.4
171.02634	2.2
171.10101	11.5
171.13742	39.4
173.09644	3.1
177.12735	4.2
261.14844	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	333.1903
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	1.6
53.03938	2.8
55.01862	6.7
55.05506	16.2
56.51354	1.4
57.03428	16.5
57.07063	16.2
59.04985	11.2
60.04495	1.7
61.02908	11.6
67.05489	38.4
69.03413	35.3
69.07047	28.7
71.04978	25.9
73.02898	7.3
79.05463	17.4
81.03400	18.2
81.07032	52.0
83.04954	7.4
83.08598	10.5
85.02885	87.5
85.06517	14.6
87.04440	6.3
91.03959	2.7
91.05454	10.3
93.07028	31.8
95.04955	7.0
95.08578	100.0
97.02866	31.0
97.06487	18.5
99.04437	8.7
99.08080	16.8
105.07009	11.8
107.08571	27.5
108.92083	1.5
109.02847	8.0
109.06499	8.5
109.10136	32.5
111.04451	2.4
111.08063	13.5
111.11759	1.6
113.09630	35.1
119.08541	13.2
120.08125	2.2
121.10106	15.6
123.11677	9.6
127.03893	10.3
127.11152	22.3
129.09102	2.4
131.08571	2.3
133.10136	7.3
135.11653	25.7
137.05936	10.7
137.09586	2.4
137.13243	2.0
140.93298	1.7
145.04951	11.6
145.10086	3.1
147.04370	2.6
147.11661	7.1
149.13217	7.7
150.96815	2.4
153.12717	48.1
153.48041	1.6
155.14264	2.4
159.11609	2.6
161.13229	1.8
163.14842	2.1
167.07004	9.2
168.10983	1.8
171.13773	35.7
173.13188	3.0
177.12708	2.3
184.26323	1.7
189.16252	1.9
213.14926	1.9
223.66325	1.7
226.10928	2.4
227.11737	3.7
243.21017	2.4
254.53987	1.8
261.22083	1.6
270.09927	2.0
272.11444	3.9
279.23102	3.6
297.24164	7.4
301.11832	20.1
333.14459	6.4
333.18686	3.1
337.07782	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1905
Annotation	9-Hydroxylinaloyl glucoside
Peak:m/z	Relative Intensity
53.00303	2.5
53.03929	7.5
55.01663	1.2
55.01862	20.5
55.05507	33.7
57.03428	21.8
57.07053	10.5
59.04979	8.0
61.02918	17.3
64.32941	1.6
65.03934	1.5
67.05492	28.0
68.05016	1.7
69.03419	34.4
69.07051	43.5
70.06584	1.7
71.04976	76.9
72.08141	3.7
73.02888	10.2
73.06531	9.6
79.05473	23.2
81.03400	18.4
81.07034	53.1
83.04965	16.5
83.08608	9.7
84.04483	3.6
85.02892	100.0
85.06517	8.1
86.09693	2.8
87.04443	3.9
91.03925	3.0
91.05450	24.5
93.07019	66.9
95.04978	12.7
95.08578	69.5
96.04478	11.7
97.02872	27.0
97.06504	27.8
98.06039	1.6
98.97501	2.2
99.04427	8.9
99.08060	3.0
101.02350	2.1
105.07005	18.9
107.04881	3.2
107.08574	66.8
109.02849	8.6
109.06494	14.0
109.10138	28.3
111.04436	2.1
111.08052	26.6
115.03963	1.9
117.07008	3.1
119.08542	20.1
120.08061	6.5
121.06481	3.2
121.10127	2.7
123.08033	6.7
125.09606	12.0
127.03903	14.3
127.11141	6.6
128.06253	2.7
131.08539	8.5
133.04944	2.9
133.10068	6.5
135.08009	8.3
135.11670	64.9
137.05945	6.7
137.09610	2.3
137.13239	2.8
138.09123	3.0
143.08582	2.1
145.04936	7.1
145.10112	3.7
147.08055	7.3
147.11647	2.0
151.11156	1.8
153.09108	11.7
153.12708	84.1
153.13947	2.9
155.10667	1.9
155.14259	8.7
159.07924	1.9
159.11658	2.0
165.12665	13.2
167.07010	3.1
171.10065	11.4
171.13765	57.7
172.05045	2.8
173.09630	2.9
174.11266	1.9
177.12738	2.5
182.83365	1.7
186.09059	2.0
195.13777	2.5
218.05536	2.4
240.80649	1.6
246.05119	1.8
279.15845	2.6
297.17038	2.3
300.74023	1.7
315.17877	7.8
316.83643	1.7
333.09064	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	333.1519
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15691	0.4
55.01858	0.7
55.05502	0.4
56.36760	0.3
56.78345	0.3
56.96569	0.6
57.03421	0.8
57.81570	0.4
61.02914	2.1
67.05481	0.9
69.03420	4.1
69.07047	2.3
71.04960	0.8
79.05477	4.5
80.05797	0.9
81.03388	0.8
81.07024	0.9
83.04949	0.5
85.02880	10.3
86.03233	0.6
91.05453	1.1
93.07005	3.0
94.99560	0.4
95.04911	0.5
97.02866	3.3
97.06481	0.7
98.39442	0.4
98.97559	1.1
105.07029	0.7
107.04898	0.6
107.08550	3.1
111.04415	0.4
111.08061	1.8
116.98611	0.7
123.08059	0.5
127.03912	0.6
127.07494	0.5
135.04390	46.9
135.08034	2.8
136.04727	46.8
136.08421	0.6
137.05939	0.9
139.03882	2.8
153.05408	4.2
153.09085	7.8
154.05760	3.8
154.09401	2.9
171.10008	4.7
197.07069	2.7
209.06543	0.4
269.09192	0.7
283.43930	0.5
315.09729	2.0
333.15118	100.0
334.15482	0.6
334.38510	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.1177
Annotation	Leonuriside A
Peak:m/z	Relative Intensity
52.54552	0.6
53.03935	1.6
55.01861	3.3
55.05496	1.6
57.03427	4.3
61.02912	5.2
65.03927	11.5
67.93521	0.7
68.99774	4.4
69.03414	16.8
71.04954	1.5
73.02910	1.3
79.05479	1.6
81.03407	8.7
81.06999	0.8
82.06556	7.4
83.04964	6.3
85.02889	39.2
86.09694	1.1
87.04472	1.7
91.05467	1.1
93.03398	3.0
93.06984	1.2
95.04952	1.6
96.08105	0.8
97.02876	14.1
97.06525	0.8
98.97562	1.8
99.04437	1.5
106.06553	1.0
107.04955	1.7
107.08587	0.9
108.05228	0.9
108.08105	1.1
109.02867	3.9
111.04428	63.5
118.06525	0.8
121.03990	3.0
121.06494	1.7
124.07526	0.9
125.07935	1.0
125.09605	0.7
127.03924	6.1
135.04434	1.0
137.05980	1.2
139.03882	100.0
141.01871	0.9
141.05466	1.1
145.04961	1.6
149.67328	0.8
152.07059	4.7
153.06499	8.3
154.08600	1.1
156.04169	4.5
160.08676	1.5
161.09021	0.9
163.03964	1.6
169.04858	1.0
170.08157	3.1
171.02823	0.9
171.06490	48.9
172.08646	3.1
173.09035	1.1
176.04597	1.0
198.06566	1.1
207.06483	1.0
222.05231	0.8
237.02899	1.0
237.07687	0.8
278.97107	0.8
288.11661	1.0
315.12653	0.8
333.11465	11.9
333.15094	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.0962
Annotation	Unknow
Peak:m/z	Relative Intensity
50.92493	0.4
61.39899	0.6
67.05481	1.1
69.07040	0.5
70.63457	0.5
71.04929	0.5
72.02771	0.6
74.97990	0.5
78.04707	0.8
78.30306	0.5
79.05475	0.8
81.07022	3.0
85.02843	0.5
91.05434	3.7
93.06985	1.3
94.04137	0.7
95.04938	2.3
95.08572	2.1
97.35506	0.5
105.06967	1.2
107.04903	1.2
107.08595	0.9
109.10143	0.7
115.05392	2.5
117.06977	0.9
119.08523	0.7
121.06496	0.7
121.10122	0.8
122.03632	4.0
123.04389	2.8
135.04390	0.6
137.05943	30.2
144.05620	0.9
145.06456	7.5
147.08008	0.8
151.03896	1.3
158.03540	0.8
160.05104	0.9
161.05962	3.9
165.05435	11.0
167.06981	25.6
171.07967	0.7
173.05884	6.2
175.07516	5.3
183.07919	1.0
184.05185	0.7
187.03932	1.0
188.04642	5.4
191.06987	3.2
199.03873	1.2
203.06969	23.5
215.03419	0.8
216.04134	26.3
217.08578	0.8
227.06999	2.2
228.03903	0.7
229.04964	1.1
230.05779	0.9
231.06461	100.0
241.04770	0.7
243.02763	2.5
244.03601	9.4
251.11137	0.9
258.05197	5.6
259.05939	57.2
269.12323	0.9
271.02313	4.2
271.05789	1.0
273.07248	0.9
277.06992	43.3
283.05811	2.0
286.04639	2.2
287.13486	1.1
288.09756	3.6
291.08539	19.1
301.06985	58.8
315.08542	1.2
333.09528	1.4
333.20206	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	333.0814
Annotation	1-O-Galloyl-beta-D-glucose
Peak:m/z	Relative Intensity
50.27476	0.6
52.13909	0.6
53.03936	3.3
53.64373	0.6
55.01857	2.7
56.77812	0.6
56.96545	1.4
57.03431	1.7
61.02913	4.0
63.49035	0.7
63.96835	0.6
68.99754	0.7
69.03410	10.0
72.00567	0.6
72.22477	0.7
73.02902	2.9
79.01853	1.7
79.05523	0.7
80.72889	0.8
80.97301	0.7
81.03402	23.3
84.08156	0.8
85.02889	29.4
86.09697	4.9
87.04459	0.7
91.03949	1.3
96.02110	0.9
96.04456	1.2
97.02882	9.0
98.06012	1.4
107.01299	31.1
107.04951	3.0
108.08092	7.3
109.02859	56.9
109.08434	3.1
111.04424	3.3
112.03978	1.4
113.02365	1.6
116.06995	0.9
123.04452	1.0
123.05545	4.9
124.07609	1.0
125.02332	30.7
127.03893	77.4
130.04980	1.3
130.08653	0.9
134.06017	0.8
135.00748	3.8
135.04396	1.2
136.06155	3.3
136.07503	0.7
139.03859	4.2
142.04990	1.3
143.03421	1.4
144.74706	0.8
145.04924	2.8
147.04370	1.7
151.03882	4.7
152.04225	1.1
152.07071	6.2
153.01807	58.1
153.05504	1.0
153.07401	1.7
171.02850	100.0
171.06316	7.6
175.13589	0.8
177.00725	0.9
183.04074	0.8
185.04231	1.0
188.05524	1.6
202.93439	0.7
227.78323	0.8
254.52448	0.8
254.55690	0.8
304.22638	0.9
314.12555	0.9
333.11429	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	332.3156
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	2.9
56.05030	16.6
57.07067	20.9
58.06585	9.2
60.04511	5.5
67.05486	3.1
69.07050	5.4
71.08627	9.5
74.06060	17.2
81.07030	10.5
85.10173	5.2
88.07613	66.0
91.05473	2.0
92.08857	1.7
93.07006	3.0
95.08560	2.2
100.82422	1.3
104.44912	1.4
105.03391	2.3
105.07021	2.4
107.08567	2.4
118.08633	12.3
122.08105	10.6
133.10156	1.6
134.99663	2.1
149.05960	2.0
170.81625	1.3
197.56108	1.5
284.29416	52.4
325.77734	1.3
332.31525	100.0
333.31522	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	333.06
Annotation	Allopatuletin
Peak:m/z	Relative Intensity
54.29005	0.3
55.05502	0.4
65.03868	0.3
67.57043	0.3
68.67574	0.3
68.99778	3.1
71.04958	0.7
76.86628	0.3
79.05482	0.4
80.13078	0.4
81.03391	0.8
81.07020	1.5
85.02880	0.7
90.19620	0.4
91.05454	0.5
93.07014	0.8
93.64304	0.3
97.06498	0.4
98.97572	0.4
106.01534	0.4
107.08555	0.7
108.02087	0.8
108.21221	0.4
109.02872	3.5
111.00785	2.9
111.04433	0.5
121.02818	0.6
121.06508	0.7
123.04401	1.6
133.02829	0.5
133.06522	0.4
135.11702	0.8
137.02296	2.8
137.05933	2.0
138.03117	0.5
139.03880	5.7
147.04349	0.4
151.03877	0.8
152.01013	0.5
153.01797	21.3
153.12711	2.8
156.57729	0.4
161.05920	0.6
165.01813	5.8
166.02574	1.9
167.03358	5.8
167.07008	1.9
179.03348	1.4
183.02863	0.6
188.04501	0.4
189.05498	2.6
191.04895	0.4
193.04878	0.7
203.03352	0.9
205.04929	2.6
206.05698	2.0
208.03629	3.7
210.01585	0.7
216.04120	2.6
217.04936	11.4
219.02858	14.2
221.04425	0.4
227.03400	0.5
231.06352	0.5
233.04384	6.7
234.05174	2.2
241.04997	0.5
243.02843	2.6
244.03572	6.9
245.04366	11.8
247.02286	1.4
255.02769	0.8
259.06061	0.8
261.03879	3.9
272.03098	1.6
273.03870	9.4
277.07016	1.9
287.05563	3.5
289.03384	7.1
290.04144	5.3
300.02496	0.7
301.03372	15.8
304.05853	0.8
315.05002	0.5
318.03638	22.6
333.05969	100.0
334.06152	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.2791
Annotation	Unknow
Peak:m/z	Relative Intensity
51.48340	0.5
55.05504	5.0
56.05012	3.9
56.96540	0.7
57.03420	1.0
57.07049	0.7
58.02945	0.7
60.04512	100.0
64.33530	0.5
66.01427	0.5
67.05485	11.5
68.05001	0.6
69.07043	4.1
70.06567	0.7
71.04971	1.0
72.04485	2.6
73.55003	0.5
74.06044	2.7
79.05469	7.2
80.04982	1.0
81.07035	12.6
82.06561	2.5
83.08598	1.2
86.11270	0.6
90.05516	1.0
91.05469	5.7
93.07024	6.9
94.06534	1.1
95.04930	2.7
95.08572	9.5
96.08124	0.9
97.06522	0.6
97.10113	1.1
105.07011	3.2
107.04939	0.7
107.08585	3.9
108.08090	0.7
108.70223	0.6
109.10161	2.4
112.07529	0.7
117.07015	0.7
118.05316	0.6
119.08544	2.7
121.10071	2.4
123.04399	0.6
131.08563	1.0
133.10138	1.0
133.37193	0.6
135.11679	2.3
137.05954	5.7
145.10129	0.6
167.07019	4.7
198.51807	0.7
260.23431	0.7
278.24643	7.1
296.25818	8.2
314.26764	9.2
316.44739	0.6
332.27866	54.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	2.1
53.45734	1.3
55.01857	2.2
55.80279	1.2
57.03411	8.0
60.04494	1.2
61.02920	15.2
61.41364	1.3
67.56081	1.3
69.03419	26.9
71.04980	2.2
73.02895	6.2
78.79181	1.3
79.05469	3.2
81.03396	10.6
85.02891	100.0
87.03916	1.3
87.04427	2.8
91.03912	6.2
91.52077	1.3
95.04910	2.0
97.02873	28.3
99.04417	6.4
107.04932	53.4
108.08116	1.9
109.02873	8.3
123.04423	11.1
124.04001	1.6
125.05962	1.8
127.03909	14.2
134.54527	1.3
135.04396	56.7
137.05949	3.6
145.04945	23.6
147.04277	1.5
152.07118	1.9
153.05466	29.1
154.78569	1.8
163.05997	3.4
173.05942	1.7
180.08667	6.1
194.97041	1.4
332.13242	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	332.1701
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01860	1.8
55.05511	1.2
56.96539	0.9
57.03421	4.3
61.02914	6.2
67.05504	0.9
68.91412	0.9
69.03405	11.3
70.06581	1.9
71.04997	1.5
73.02891	1.6
75.36711	0.8
77.87574	0.8
79.05475	8.0
81.03407	7.2
81.07032	5.6
82.06567	0.9
83.04949	1.0
85.02888	46.0
86.09687	1.8
86.74131	0.9
87.04442	1.5
91.03953	1.6
91.05479	2.0
93.07019	1.8
95.04921	1.1
95.08620	1.1
96.04480	0.8
97.02878	13.9
98.06014	1.1
98.97552	2.0
99.04427	1.9
103.78830	0.9
105.07008	7.8
107.04929	4.7
107.08578	6.7
108.08096	4.6
109.02850	4.0
109.06538	1.0
109.10156	1.0
110.06024	3.5
115.05431	3.9
116.05758	1.4
117.06985	2.1
121.05431	0.8
125.09552	1.0
127.03891	4.7
133.06491	1.1
135.04399	13.4
135.08025	61.9
138.06731	11.4
145.04962	4.7
152.07083	2.1
152.10678	4.8
153.05432	5.7
153.09077	100.0
163.06212	1.0
170.11702	17.6
180.08630	1.7
189.09027	1.0
330.18594	1.0
332.13443	1.4
333.15140	3.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
51.42399	0.2
53.03937	0.4
55.01865	0.2
57.03429	0.5
61.02911	1.3
63.92178	0.2
65.03924	1.3
69.03420	2.4
70.06589	0.2
71.04977	0.8
73.02915	0.4
75.42605	0.2
79.05474	0.9
81.03410	1.0
81.07029	4.0
83.01349	0.3
85.02890	7.3
91.03951	0.3
91.05416	0.2
91.88676	0.2
93.03377	0.8
93.07013	0.3
94.04148	0.4
95.04957	0.9
97.02861	1.9
99.04409	0.3
100.18391	0.2
107.04902	0.7
109.02882	0.4
109.06500	11.5
111.04469	0.2
117.06972	0.3
121.02840	100.0
127.03875	0.5
130.04082	0.2
132.59081	0.3
133.10123	0.2
135.04378	1.3
135.08011	2.5
145.04938	0.4
153.05444	64.7
169.12199	0.8
170.11684	2.0
203.26627	0.2
225.22531	0.2
253.65079	0.2
276.20142	0.2
288.87747	0.2
307.71057	0.2
325.49878	0.2
338.29416	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	332.1336
Annotation	5'-O-beta-D-Glucosylpyridoxine
Peak:m/z	Relative Intensity
53.03939	0.5
55.01869	0.7
57.03419	5.4
61.02909	3.2
61.03180	0.4
65.03938	0.5
67.05486	3.0
69.03413	19.4
71.01338	0.8
71.04972	1.0
72.13047	0.5
73.02890	3.4
79.05470	1.0
81.03387	3.9
81.07024	0.7
84.08125	1.9
85.02891	8.8
87.04433	3.8
91.05454	0.6
93.17902	0.4
94.06504	0.7
96.08109	0.9
97.02850	3.7
99.04433	4.6
106.06544	5.7
107.04941	0.5
108.08098	100.0
109.02871	0.7
117.05468	4.6
123.06780	5.0
124.07559	19.8
127.03890	1.1
130.08595	2.7
134.05983	17.3
135.06511	2.0
136.07536	11.1
142.19040	0.5
145.04985	0.6
151.03874	13.6
152.04282	11.4
152.07033	81.4
153.07533	3.4
154.08641	1.8
167.82796	0.5
169.04939	2.1
170.05481	4.6
170.08044	8.5
170.09244	0.7
254.10220	0.5
314.12262	21.6
314.15692	1.1
332.13318	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	332.1337
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.1
55.01856	3.5
57.03407	7.3
59.48109	1.4
61.02918	11.2
61.12675	1.2
69.03416	16.5
71.04971	2.1
73.02898	3.4
81.03391	13.0
85.02888	100.0
87.04419	2.0
91.03927	6.1
91.05477	2.2
93.83725	1.5
95.04923	1.7
97.02862	27.4
99.04435	2.0
107.04948	39.3
109.02852	7.4
123.04395	12.3
127.03903	14.4
135.04398	23.8
137.05959	2.0
145.04930	22.8
153.05426	16.4
163.05992	2.4
170.08052	3.1
180.08627	11.0
219.06525	3.6
236.28931	1.5
332.13309	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	332.1338
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.2
57.03413	0.2
61.02905	0.6
61.97309	0.1
67.21811	0.2
69.03407	0.9
71.04941	0.1
73.02899	0.2
75.81903	0.1
77.03883	0.1
79.05476	3.0
81.03392	0.3
83.66946	0.1
85.02888	2.1
91.05478	0.2
95.04945	0.2
97.02876	0.3
107.04935	0.9
109.02869	0.1
117.06988	0.8
121.69946	0.1
133.02838	0.3
135.04396	100.0
136.04773	0.2
136.08983	0.1
139.03810	0.1
149.16977	0.1
153.05455	8.7
155.38249	0.2
203.55473	0.1
337.13550	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	331.284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.50212	3.0
51.45137	3.3
53.03973	2.8
54.81623	3.1
55.05500	18.4
57.03426	7.6
57.06807	6.4
57.07066	100.0
58.78510	3.0
62.29782	2.9
64.62012	3.1
67.05498	26.8
69.07057	19.9
71.08607	60.8
77.73206	3.4
80.16817	3.5
81.07043	38.7
83.08615	8.8
85.06529	4.4
85.10145	28.1
88.07620	8.5
93.07000	12.3
95.08579	47.0
97.10162	5.9
105.07028	4.1
107.08585	6.3
109.10159	21.2
119.08566	6.1
121.10106	4.9
123.11710	7.5
136.19237	3.7
160.56166	4.0
239.23640	15.3
309.61148	4.4
313.27429	31.9
331.04797	4.2
331.30435	6.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2839
Annotation	Monopalmitin
Peak:m/z	Relative Intensity
51.25067	0.7
53.00282	1.3
55.05504	13.3
57.03432	5.9
57.03659	0.7
57.07065	100.0
61.98214	1.0
67.05489	23.5
69.07048	13.7
71.04993	0.6
71.08613	61.0
75.04472	1.7
78.51787	0.7
79.05466	1.9
81.07037	26.3
83.04973	0.9
83.08598	16.9
85.10165	27.8
88.07640	1.3
91.54733	1.0
92.09416	1.8
93.07012	3.7
95.08585	42.5
97.10136	8.8
105.06975	1.2
107.08575	3.8
109.10129	13.1
119.08527	0.9
123.11675	7.8
162.35666	0.9
223.93552	0.9
239.23647	13.4
257.24597	3.3
313.27301	33.3
330.33578	1.0
331.04916	0.9
331.33917	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	23.9
55.69186	2.7
57.07069	25.0
64.47078	3.6
67.05501	24.7
69.07031	19.8
70.06593	25.1
71.04964	23.3
71.08607	5.9
72.67432	3.1
79.05463	31.8
81.07037	83.9
85.06519	4.6
88.07617	25.5
91.05451	44.1
93.07026	100.0
95.04944	4.8
95.08582	67.3
97.10120	4.7
102.09150	3.6
105.07009	86.0
106.08638	15.5
107.08580	56.8
109.06495	8.5
109.10137	27.0
111.08059	14.4
113.09644	6.2
114.36602	3.5
117.06984	5.4
119.08565	89.4
121.10117	71.3
131.08553	24.1
133.10074	25.3
135.11652	17.3
137.09637	12.4
137.74654	3.7
143.08536	8.5
145.10107	48.7
147.11639	24.0
157.10107	13.9
159.11681	43.3
161.13275	15.0
163.14760	18.3
171.11591	4.2
173.13219	18.9
185.13130	4.9
187.14854	6.7
189.16318	4.0
199.14766	4.3
201.16266	4.2
215.17967	6.3
232.19308	3.6
303.93723	3.8
312.32468	6.0
330.33633	68.0
331.04709	7.4
331.26688	3.8
331.30182	4.3
331.33960	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2627
Annotation	Unknow
Peak:m/z	Relative Intensity
52.08392	2.1
55.05504	22.5
57.07064	5.3
59.22616	2.4
61.38272	2.3
62.20310	2.2
67.05499	25.7
69.07050	19.1
70.06566	5.7
71.04978	34.4
73.06425	2.3
79.05471	32.5
81.07043	66.9
83.04980	3.2
83.08581	4.0
84.45009	2.3
88.07605	6.1
91.05463	32.8
93.07027	100.0
93.07573	5.5
95.04948	12.9
95.08583	77.7
105.07012	81.3
105.07667	4.6
106.08670	3.6
107.08569	61.8
108.23918	2.9
109.06509	14.9
109.10131	30.6
111.08069	17.7
113.09637	10.4
117.07004	11.4
119.08552	67.9
121.10106	67.9
123.11739	4.8
129.06955	4.2
131.08534	24.9
133.10104	30.8
135.08131	4.4
135.11694	15.5
137.09628	11.9
139.11218	4.0
142.07837	2.9
143.08542	11.5
145.10115	33.0
147.11641	27.9
149.13226	5.5
157.10086	9.4
159.11688	30.7
161.13269	10.6
163.14812	28.8
171.11665	5.3
173.13174	20.5
174.00723	2.9
175.14792	3.3
185.13246	3.5
187.14757	4.5
187.19228	2.8
189.16354	5.4
199.14795	3.8
201.16377	4.9
215.17891	5.0
229.19551	3.9
255.21019	6.3
313.25308	3.9
330.33463	18.9
331.04730	3.8
331.26556	3.1
331.33890	16.0
351.10083	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2626
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	9.3
57.07064	19.6
67.05507	8.4
69.00330	5.0
69.07053	6.4
70.06565	18.8
71.04970	9.1
71.08617	6.3
79.05487	21.9
81.07050	53.6
83.04984	8.4
88.07602	39.1
91.05453	23.7
92.09281	6.2
93.07018	53.3
93.07999	4.3
95.08595	38.1
102.09192	8.6
105.07030	46.5
106.08673	21.2
107.08584	31.8
109.10125	7.6
111.08056	4.8
119.08575	41.3
121.10132	31.9
123.84023	5.0
131.08539	9.0
135.11652	9.2
145.10072	12.0
145.37784	5.5
147.11623	10.9
150.96844	6.4
153.40451	4.8
155.07034	6.8
157.10152	5.4
159.11641	5.8
161.13158	6.1
163.14827	7.5
173.13301	8.3
212.84023	5.2
246.97330	4.9
330.33636	83.7
331.04584	29.1
331.33966	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	4.1
55.05482	19.2
57.07042	7.2
61.07118	3.6
67.05489	33.6
69.03400	6.0
69.07043	18.6
71.73203	3.4
72.92695	3.3
79.05477	21.6
81.07037	60.7
83.04967	4.7
85.06519	22.3
87.02634	3.8
87.04395	3.8
88.07581	5.3
91.05457	100.0
92.05782	26.8
93.07015	58.9
95.04950	6.9
95.08588	53.2
105.07035	39.7
106.08630	3.5
107.04905	18.3
107.08560	48.6
108.05278	9.0
109.10123	25.6
110.30041	4.7
111.08054	4.8
117.06976	5.7
119.08544	41.0
121.06395	4.2
121.10094	21.9
123.11639	6.4
125.09560	7.0
131.08537	7.1
133.06471	4.8
133.10103	19.9
135.11630	8.3
141.78912	4.1
143.08540	3.9
145.10085	20.2
147.11681	8.4
149.13232	18.0
151.07358	4.4
151.11211	4.4
157.10107	6.6
159.11641	17.5
161.13184	6.1
171.11716	3.7
175.14729	4.2
203.18024	7.0
227.22406	4.6
234.86276	5.0
313.25058	16.9
325.28592	3.9
331.10403	4.5
331.26212	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2628
Annotation	7,10,13,16,19-Docosapentaenoic acid
Peak:m/z	Relative Intensity
55.01855	4.1
55.05482	19.2
57.07042	7.2
61.07118	3.6
67.05489	33.6
69.03400	6.0
69.07043	18.6
71.73203	3.4
72.92695	3.3
79.05477	21.6
81.07037	60.7
83.04967	4.7
85.06519	22.3
87.02634	3.8
87.04395	3.8
88.07581	5.3
91.05457	100.0
92.05782	26.8
93.07015	58.9
95.04950	6.9
95.08588	53.2
105.07035	39.7
106.08630	3.5
107.04905	18.3
107.08560	48.6
108.05278	9.0
109.10123	25.6
110.30041	4.7
111.08054	4.8
117.06976	5.7
119.08544	41.0
121.06395	4.2
121.10094	21.9
123.11639	6.4
125.09560	7.0
131.08537	7.1
133.06471	4.8
133.10103	19.9
135.11630	8.3
141.78912	4.1
143.08540	3.9
145.10085	20.2
147.11681	8.4
149.13232	18.0
151.07358	4.4
151.11211	4.4
157.10107	6.6
159.11641	17.5
161.13184	6.1
171.11716	3.7
175.14729	4.2
203.18024	7.0
227.22406	4.6
234.86276	5.0
313.25058	16.9
325.28592	3.9
331.10403	4.5
331.26212	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2477
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	2.2
55.05496	14.6
55.93539	2.0
57.03422	3.9
57.07058	5.2
59.04981	4.9
61.83813	2.2
62.10001	2.0
65.98676	1.9
66.34232	2.4
67.05498	40.3
69.03409	3.3
69.07051	43.5
71.04975	26.0
73.06526	3.5
79.05485	16.1
81.07040	83.7
83.04964	3.3
83.08588	10.8
85.02895	28.4
85.06524	66.0
91.05456	14.5
92.09293	3.5
93.07027	72.6
95.04945	9.8
95.08585	87.6
97.06512	10.6
99.04405	5.0
99.08067	3.8
105.07019	20.1
107.08575	55.5
109.06506	10.4
109.10149	100.0
109.50312	2.5
110.07251	2.6
111.08070	37.2
119.08562	9.9
121.06509	2.9
121.10132	31.9
123.07938	7.0
123.11693	87.0
125.09587	4.3
129.09160	3.0
131.08495	3.1
133.10123	14.7
134.51553	2.7
135.11687	4.2
136.43895	2.4
137.06033	3.0
139.03851	2.2
139.07469	4.2
141.12764	3.8
143.08456	4.1
147.11649	4.7
149.13243	92.5
151.11172	19.1
159.11621	2.5
161.13229	9.3
163.03880	2.7
163.14850	2.4
165.07010	3.5
165.09113	2.3
167.14264	51.3
169.12206	69.2
170.09651	23.3
173.13127	3.0
175.11107	2.4
175.14854	3.5
183.06738	5.5
184.11096	3.1
191.14450	2.7
194.09656	10.9
196.11159	2.9
198.09105	20.2
208.07571	3.0
210.07814	11.2
211.08589	3.4
212.10703	34.3
222.09247	24.5
222.11227	4.2
223.12291	9.7
224.10776	2.8
226.08612	34.0
235.06340	4.2
239.07988	2.5
239.11732	40.1
240.10175	26.1
250.08615	5.0
254.08131	10.6
259.20343	7.5
267.11185	2.8
268.09583	15.5
277.21518	27.1
279.79944	2.7
285.12326	33.0
295.22690	29.8
296.09213	3.4
313.08121	3.6
313.11752	11.0
313.23697	3.0
314.10184	12.5
331.12097	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25796	1.0
51.90718	0.8
53.03927	1.4
55.05503	15.6
57.03428	2.2
57.07069	7.6
67.05495	37.4
67.30349	0.8
69.03430	1.7
69.07057	20.1
69.95625	0.8
71.04950	2.0
79.05473	21.0
81.03411	1.4
81.07040	100.0
83.04973	2.0
83.08604	9.4
85.02875	1.8
85.06528	17.7
91.05449	15.6
93.07024	45.9
95.04943	5.9
95.08585	94.3
97.06504	5.8
97.10146	1.4
98.97570	1.0
99.08073	1.8
105.07007	19.4
107.08581	59.7
109.06503	5.5
109.10142	41.8
109.57564	1.1
111.08067	6.3
113.09629	34.4
119.08569	19.0
121.06532	1.2
121.10120	31.1
123.08065	2.2
123.11684	16.8
124.57391	0.9
125.09608	4.0
129.06955	1.6
131.08548	5.0
133.10114	22.0
135.08046	1.6
135.11673	23.0
137.05951	1.3
137.13222	1.8
145.10115	5.4
147.07977	1.1
147.11667	17.4
149.13240	19.2
151.11151	6.3
151.14781	1.0
153.01758	1.3
153.12708	4.0
157.10100	2.2
159.11656	6.0
161.13210	11.1
163.11118	1.6
163.14804	2.4
167.10661	1.1
167.14241	1.0
169.07451	0.9
169.12198	1.3
171.11653	4.5
173.13226	1.8
175.14807	7.5
177.12738	1.7
179.14264	3.8
181.15933	2.0
185.13153	4.5
189.12704	2.1
189.16405	1.8
193.07590	1.2
194.09772	1.0
195.05544	1.5
196.06122	1.2
197.15486	0.9
203.14287	4.2
212.10750	1.5
213.06606	1.4
221.15460	1.6
226.08524	1.6
231.20973	8.0
239.11801	1.1
241.19463	3.8
249.22083	7.1
259.20511	18.1
277.21545	37.4
285.08646	4.4
285.12039	1.5
295.22632	19.4
313.07971	4.0
313.11566	1.4
313.23752	1.2
331.12283	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1876
Annotation	Carnosol
Peak:m/z	Relative Intensity
55.05498	1.6
57.42133	0.7
67.05486	3.5
69.97392	0.8
79.05452	1.8
81.07036	4.3
83.04973	1.1
83.08598	1.2
83.63968	0.8
91.05460	1.5
91.15839	1.0
93.07021	2.0
95.08565	2.0
95.13708	0.8
105.06995	1.9
107.08532	1.3
108.66586	0.8
109.10133	1.2
117.07006	1.0
119.08606	1.1
131.08514	1.3
133.10057	1.2
139.03885	1.3
144.74748	1.1
145.10078	1.4
153.09624	1.0
181.04967	1.1
232.19377	1.0
267.08694	0.9
299.16180	1.8
313.17734	1.5
323.27652	0.9
331.18719	100.0
331.21945	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	331.1876
Annotation	Carnosol
Peak:m/z	Relative Intensity
56.05026	1.9
57.07055	2.5
60.04512	18.0
64.33043	1.8
67.05491	2.5
69.07097	2.2
79.05476	3.6
80.55952	1.9
81.01326	1.7
81.07022	7.6
85.43980	1.9
87.04439	9.3
93.07018	3.7
95.08602	2.5
105.07007	3.1
105.95789	1.9
107.08574	2.0
109.10131	2.1
121.10120	1.9
135.11649	2.1
283.34259	2.1
321.44919	2.3
330.29941	4.8
331.18726	100.0
331.30212	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	331.1747
Annotation	Iridodial glucoside
Peak:m/z	Relative Intensity
53.00296	1.8
53.03944	0.3
54.80174	0.3
55.01868	0.5
55.05502	2.2
57.03426	0.8
57.07071	3.8
59.04994	1.9
60.04502	0.6
61.02915	0.5
64.68214	0.3
67.05490	9.5
69.03421	2.5
69.07052	100.0
70.07345	0.3
71.04974	2.4
79.05476	3.4
81.03398	0.6
81.07036	43.3
82.07351	0.3
83.04980	0.8
83.08598	1.4
83.09086	0.3
85.02885	2.7
85.06541	0.5
86.95881	0.4
87.04440	0.5
91.05476	0.7
93.07018	2.0
95.04944	3.3
95.08582	9.6
97.02892	1.4
97.06519	0.4
105.07018	2.3
107.08588	3.3
109.06496	3.2
109.10137	12.4
111.08088	0.4
113.05989	1.7
119.08549	0.4
121.06522	0.4
121.10132	2.0
123.11680	86.3
124.12012	0.4
127.07506	0.5
129.07005	0.5
133.10091	1.9
137.05956	0.5
137.51469	0.4
141.12785	0.4
143.08527	0.4
145.10127	0.4
151.07567	0.4
151.11151	19.2
153.06917	0.5
165.06979	0.4
169.12198	2.3
181.05045	0.5
181.06468	0.6
183.08009	0.6
197.05948	0.5
232.17081	0.4
257.08292	0.4
267.08853	0.6
285.09915	2.1
301.03531	0.4
316.05768	2.8
331.07947	2.4
331.11609	3.2
331.18335	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1535
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81501	1.1
55.01872	1.2
56.64644	1.0
63.45006	0.9
65.04985	1.1
67.05501	2.0
71.29454	0.9
79.05506	1.2
81.07024	4.2
81.52515	1.1
91.05467	15.6
92.08617	1.2
95.04934	2.1
95.08577	1.4
97.05959	1.0
103.05453	1.5
105.07014	2.2
107.08571	1.8
109.06482	1.5
109.10131	7.0
115.05418	2.5
119.04921	10.5
121.06495	4.2
122.03630	4.1
128.06168	7.7
129.06976	12.2
131.04823	2.0
135.08011	1.9
136.05191	1.7
137.05945	36.0
142.07758	1.1
143.08551	5.0
145.06490	1.9
149.05951	4.8
151.03828	1.8
151.07518	31.1
151.11150	1.9
152.06174	4.1
153.06966	6.0
154.06508	4.3
155.07262	10.7
156.08047	2.1
157.06450	5.3
161.05940	6.3
162.05469	1.3
163.07503	6.7
165.06953	8.6
166.07750	2.6
167.07248	8.3
167.08534	18.4
168.08031	5.9
169.08830	5.5
169.12195	1.2
170.09607	55.8
171.06749	1.5
171.08052	1.8
173.07129	2.2
174.06749	1.9
178.07718	4.6
179.08505	5.8
180.08051	11.3
181.06410	3.8
181.08804	9.8
182.09634	2.6
183.06735	23.4
184.07564	5.5
184.11154	10.0
185.07036	2.6
189.09076	9.5
191.08624	1.5
192.06653	1.9
193.07639	2.4
193.10211	1.7
194.08315	6.5
194.09709	42.3
195.06471	1.3
195.07986	20.0
196.07498	8.5
196.11223	8.6
197.08313	14.6
198.09113	51.1
200.07008	1.7
204.07996	2.5
207.06717	5.8
207.09023	2.3
208.07549	12.6
209.08611	11.3
210.07587	19.3
210.09242	12.1
211.06516	2.5
211.08620	12.8
211.10422	1.5
211.12090	1.3
212.10681	90.2
220.07565	1.3
221.06000	2.5
221.10664	7.7
222.09137	69.0
222.11412	8.8
223.10066	3.6
223.12199	27.0
224.07288	1.7
224.10895	21.5
225.10101	6.0
226.08574	77.0
227.10625	13.3
228.06453	1.3
228.10172	1.8
234.07613	1.4
235.06165	9.7
238.10909	11.4
239.08174	11.9
239.11737	100.0
240.08002	2.4
240.10143	56.2
241.13231	5.4
242.11497	1.3
244.09627	2.2
249.10254	10.7
250.08571	21.1
251.11734	5.8
252.10101	1.8
253.08568	6.8
253.12051	4.6
254.08025	36.3
255.07506	4.6
255.10130	9.4
256.08368	1.8
257.12854	1.3
258.11057	2.2
267.11310	17.9
268.09610	53.1
268.12393	2.2
269.08099	2.2
269.12808	2.1
270.11319	1.8
272.09366	1.6
285.12271	78.8
286.10611	2.3
287.12671	13.5
295.10745	5.1
296.09152	24.4
313.11581	28.5
314.10126	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	331.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81676	1.6
55.05503	3.7
57.07043	1.3
57.37046	1.4
67.05476	3.8
69.07060	2.4
79.05452	3.2
80.26385	1.5
81.07033	10.7
91.05460	2.0
91.23447	1.5
92.63938	1.5
93.07003	8.0
95.04933	2.0
95.08573	6.8
97.06464	1.7
100.11213	1.9
105.07018	3.3
107.08560	6.0
109.06461	1.8
109.10110	6.4
119.08589	2.1
119.47942	1.4
121.06520	1.9
125.09631	2.3
128.06248	3.1
129.06981	3.0
133.10062	1.7
137.05954	1.9
143.08514	7.6
152.06143	2.9
153.01747	1.5
153.06941	6.3
154.06499	1.9
155.06067	3.2
155.07262	7.0
161.05872	1.6
165.07008	2.2
167.07236	6.6
167.08559	7.0
168.08049	9.4
169.07533	5.8
169.08777	4.3
170.09595	55.8
179.05951	1.9
179.08566	1.9
180.08031	14.9
181.08846	9.1
182.09683	3.3
183.05420	2.4
183.06784	18.6
184.07652	2.1
184.11102	6.4
185.07103	3.7
193.07576	6.2
194.08272	8.9
194.09749	27.8
195.05484	2.7
195.08046	6.2
196.07547	6.6
196.11247	11.9
197.06804	1.7
197.08452	13.0
198.09094	56.5
198.10818	3.0
207.06755	9.3
207.09050	2.7
208.07668	14.1
208.09361	1.9
209.06842	5.5
209.08388	8.8
210.07831	20.8
210.09271	12.3
211.06331	4.8
211.08603	14.2
212.07414	2.0
212.10696	80.7
213.06395	1.9
221.07103	3.0
221.10666	3.8
222.09178	55.2
222.11433	9.2
223.08401	1.9
223.10068	3.3
223.12202	25.6
224.10849	22.4
225.06606	2.7
225.10217	8.8
226.08568	88.2
229.06012	1.8
234.07822	2.9
235.06226	9.4
237.06548	2.2
238.10863	13.4
239.08092	15.8
239.11719	100.0
240.10153	50.4
240.12354	3.4
241.13290	3.7
244.09644	2.3
249.06439	1.8
249.10243	11.0
250.08574	18.7
251.11771	7.4
254.08046	34.0
258.11145	6.3
267.07715	1.5
267.11154	16.7
268.09579	44.4
271.07138	7.7
284.07776	3.2
285.08664	12.8
285.12186	70.2
286.10681	8.7
294.39816	1.8
295.07227	3.4
295.10782	7.1
296.09070	23.7
313.03317	10.2
313.08047	14.3
313.11737	32.5
314.10172	48.3
331.04614	1.8
331.09018	7.9
331.12430	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	1.9
58.82808	1.5
76.17996	1.8
81.07033	2.8
90.41999	1.6
91.05450	8.2
95.04921	2.0
105.06998	2.1
109.10130	3.8
119.04920	4.6
122.03672	2.1
128.06190	7.3
129.06960	9.4
130.55627	1.6
137.05963	20.5
151.07527	17.4
152.06209	4.3
153.06967	3.6
155.07323	9.2
161.09645	2.0
165.07018	8.1
167.07254	10.2
167.08560	18.5
168.08003	7.4
169.08856	8.0
170.09608	70.9
173.07037	2.1
178.07710	2.2
179.08572	2.5
180.08066	12.5
181.08849	6.9
182.05913	2.2
182.09697	3.3
183.06709	25.1
184.07568	2.6
184.11131	16.0
185.07059	2.5
189.09035	3.3
193.07539	6.6
194.08302	9.8
194.09744	44.2
195.08105	19.7
196.07565	12.2
196.11203	10.1
197.08376	10.3
198.09123	59.3
200.07004	2.3
204.08272	2.5
207.06828	9.3
207.09032	2.2
208.07600	14.0
208.09830	2.0
209.06839	6.4
209.08411	10.3
210.07533	23.5
210.09259	13.3
211.06421	4.1
211.08640	14.2
212.10696	99.5
221.10701	10.6
222.09169	72.4
222.11391	8.9
223.10078	7.5
223.12196	32.6
224.07169	2.0
224.10884	24.2
225.07628	2.3
225.10387	5.7
226.08589	90.9
227.10634	4.5
235.06227	12.3
238.10883	13.8
239.08047	11.2
239.11743	100.0
240.10150	66.1
240.12366	3.7
241.13420	2.9
242.11592	2.1
244.09676	2.7
249.10135	15.4
250.08549	24.6
250.10867	3.1
251.11749	3.0
254.08093	35.6
255.07446	2.1
255.10013	2.3
256.08340	2.3
258.11063	3.1
267.11267	21.7
268.09567	56.8
269.12723	2.2
272.09149	3.1
284.07788	3.6
285.12289	82.1
286.10626	3.3
287.12753	7.6
295.10779	4.1
296.09085	25.7
313.11679	26.6
314.10095	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
56.09936	1.0
56.96569	1.1
57.03422	1.6
59.04988	2.3
64.48498	1.0
67.05499	1.3
79.05428	1.2
81.03372	1.2
81.07018	5.0
85.02880	2.6
85.06532	11.6
91.05446	4.2
93.07018	8.2
95.08572	1.9
97.02848	1.2
98.97548	11.6
105.06987	4.5
106.44226	1.1
107.08570	1.7
116.98577	5.2
121.10180	1.3
123.11696	1.9
129.06976	2.6
133.10109	2.1
134.99640	2.0
143.08566	2.3
144.08025	1.3
151.07536	1.3
151.11124	2.5
152.06111	1.6
153.06950	1.6
154.06560	2.0
155.07245	6.1
158.99490	1.2
159.08003	1.4
165.06999	1.8
167.07156	9.1
167.08540	7.4
168.08038	6.6
169.08746	3.5
169.12177	2.3
170.09608	33.6
172.07495	1.6
177.00630	1.9
179.03287	1.5
179.07178	1.3
180.08037	2.1
181.08820	5.0
182.09692	1.4
183.06761	9.4
184.07568	4.9
184.11238	8.9
194.09631	31.8
195.08046	7.8
196.07504	8.5
196.11203	4.8
197.08324	10.6
198.05455	2.3
198.09082	14.9
199.06174	1.3
200.07011	5.9
204.08018	1.7
206.08163	1.3
207.06792	5.9
208.07471	2.6
209.08270	5.7
210.07576	11.1
210.09550	1.4
211.06229	13.6
211.09912	4.4
211.12233	4.9
212.07018	6.1
212.10678	65.2
213.07738	2.0
214.08553	1.7
221.08588	1.6
221.10579	8.9
222.09131	47.7
222.11330	2.9
223.12250	1.7
224.07030	3.8
224.10907	13.6
225.07884	4.0
226.08582	15.2
228.06552	7.4
228.10406	1.5
229.07399	2.2
234.07838	4.5
235.06248	1.7
238.07253	1.8
238.10956	1.5
238.96426	1.2
239.05605	3.6
239.09494	5.1
239.11707	39.5
239.14180	1.4
240.10136	100.0
242.11697	6.6
244.09517	4.2
249.10150	21.2
250.08583	13.7
250.10878	1.5
251.11679	4.2
252.10202	1.8
254.08055	2.5
256.08298	5.0
257.12808	22.7
258.11163	5.0
267.11182	15.0
268.09601	20.5
270.11130	5.3
272.08987	1.6
278.08014	1.3
285.12280	59.8
285.15448	2.0
286.10745	7.6
295.10678	5.6
296.09131	12.9
313.11795	4.4
314.10144	28.4
331.12790	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	331.102
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	0.3
57.03416	0.6
61.02902	0.2
65.03913	0.4
65.87204	0.2
67.05473	0.4
68.99764	0.6
69.03403	0.9
70.06575	0.3
73.02897	0.4
75.59911	0.2
81.03396	0.3
82.40434	0.1
84.08122	1.8
85.02883	1.4
95.04929	0.6
97.02860	1.1
108.02053	1.3
108.08087	0.4
111.04425	0.7
116.01348	0.2
117.03368	0.2
118.03654	0.3
121.02776	0.2
123.04369	0.9
127.03805	0.3
130.08589	2.2
133.04938	0.8
135.04362	1.2
136.01543	0.3
136.04732	0.8
136.29659	0.2
145.02751	0.3
151.03870	100.0
152.04283	0.3
152.07027	0.7
154.02563	0.7
163.03807	2.1
164.04201	2.0
169.04909	16.7
172.90445	0.2
190.49933	0.2
214.01614	0.2
299.89725	0.2
314.12146	0.2
332.13162	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1171
Annotation	beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
55.01851	0.4
55.05486	0.3
57.03432	0.3
57.07063	0.4
65.68490	0.2
67.05495	0.5
69.07053	0.3
69.39268	0.2
79.05467	0.5
81.07027	1.2
85.02876	1.9
85.70380	0.3
91.05453	0.5
93.07020	1.1
95.04950	0.6
95.08582	1.3
97.20406	0.3
105.07029	0.3
105.97029	0.3
107.04900	0.5
107.08537	0.5
109.10121	0.4
111.04411	0.3
121.02845	0.4
125.05927	0.3
131.08591	0.3
133.10083	0.4
137.05989	0.5
151.03876	1.1
153.05429	1.6
179.03352	33.8
181.04915	100.0
182.05247	0.5
197.04420	5.4
235.04393	0.3
330.33643	0.4
348.74683	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1174
Annotation	beta-Hydroxy-2',6'-dimethoxy-3',4'-methylenedioxydihydrochalcone
Peak:m/z	Relative Intensity
54.42356	0.2
55.01859	0.4
55.05481	0.2
60.04508	0.4
67.05483	0.3
68.19518	0.2
69.03420	0.2
71.04971	0.2
77.66843	0.2
79.05478	0.3
81.07059	0.6
83.36618	0.2
85.02887	2.6
91.05444	0.2
93.03397	0.2
95.01321	0.2
95.04931	0.8
95.08545	0.4
97.06485	0.2
107.04893	0.2
107.08611	0.2
109.10131	0.2
112.59480	0.2
119.08518	0.2
121.02833	0.4
125.05954	0.8
137.05983	0.4
141.01836	0.3
151.03842	1.3
153.05382	1.7
164.04207	0.3
167.42700	0.2
177.10315	0.2
179.03363	34.8
181.04926	100.0
182.05243	0.4
189.38879	0.2
197.04442	4.8
217.15674	0.2
330.26505	0.3
331.11768	1.1
345.19598	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1021
Annotation	Pseudolaroside B
Peak:m/z	Relative Intensity
52.41047	0.6
55.05484	0.6
55.93496	0.6
56.96547	0.7
61.23215	0.6
65.03924	37.8
69.03412	1.7
71.04967	1.0
79.05473	0.8
81.03411	1.6
81.07013	2.8
83.04974	0.9
85.02892	7.0
89.03893	3.1
92.08743	1.0
93.03382	29.9
95.04942	3.3
97.02878	1.4
107.04965	1.4
109.02869	1.3
110.03643	8.7
111.04424	100.0
116.98576	1.0
117.03346	3.4
118.03721	0.9
125.03441	0.8
125.05968	51.4
132.04347	1.0
133.04823	1.2
133.06488	1.1
134.99652	0.8
135.04430	6.9
136.04694	5.2
145.02835	5.2
146.03146	1.7
151.03880	25.1
151.04955	1.7
151.11185	0.9
152.04231	0.7
154.02605	0.7
158.99890	0.7
163.03859	24.0
164.04222	19.4
169.04919	78.5
176.75893	0.8
262.01321	1.2
262.27423	0.8
304.66162	0.8
311.06427	0.8
331.13449	4.1
344.74655	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.1021
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
62.35617	0.1
63.19235	0.2
65.03912	0.3
65.17950	0.2
67.20579	0.2
68.99771	0.4
69.03439	0.2
75.80485	0.2
85.02885	1.6
90.72446	0.2
95.04918	0.4
97.02858	0.3
103.56937	0.2
108.02079	1.3
111.04447	0.4
116.13482	0.3
121.02843	0.3
121.03984	0.2
123.04386	0.3
136.01466	0.2
145.04849	0.3
151.03880	100.0
154.02585	0.4
163.03894	0.7
164.04182	0.7
169.04926	18.6
273.44833	0.2
331.13632	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.081
Annotation	Apometzgerin
Peak:m/z	Relative Intensity
50.10922	1.2
54.82311	1.3
55.05492	3.2
67.05475	3.3
69.07056	2.7
69.65604	1.2
76.10944	1.3
79.05446	1.9
81.07025	8.6
83.08597	1.9
86.09336	1.3
91.05462	2.7
93.07000	2.6
95.08578	2.6
97.94424	1.4
105.07022	2.9
107.08598	1.6
121.06454	1.7
125.97833	1.3
139.03899	3.0
147.11630	2.6
149.13208	1.4
150.53220	1.3
151.03899	1.7
153.01801	2.6
158.48160	1.4
217.04877	9.9
228.04147	2.1
229.04993	1.6
245.04420	19.3
257.04358	2.7
259.83475	1.5
267.79691	1.3
269.04462	1.5
269.07346	1.4
270.07892	2.8
273.03888	17.0
277.21432	1.5
287.05472	8.4
288.06168	2.0
300.02695	2.5
301.03351	24.5
302.04059	1.5
315.04959	35.2
316.05713	100.0
331.08044	84.8
331.11380	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	331.102
Annotation	1-O-Vanilloyl-beta-D-glucose
Peak:m/z	Relative Intensity
51.61721	0.2
62.54033	0.2
65.03928	0.4
67.05509	0.3
68.99772	0.4
69.03406	0.3
77.67242	0.2
84.08133	0.3
85.02883	1.1
87.28771	0.2
89.06001	2.3
90.06331	0.2
91.62383	0.2
94.26345	0.2
95.04939	1.1
97.02872	0.5
99.50426	0.2
105.03358	0.3
107.04924	0.3
108.02080	1.7
111.04397	0.3
123.04395	3.9
151.03882	100.0
151.09605	2.4
152.07054	0.2
152.10081	0.7
154.02603	0.4
163.02631	0.2
163.03873	0.3
164.04225	0.2
169.04918	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	330.3362
Annotation	icosasphinganine
Peak:m/z	Relative Intensity
54.81362	0.3
57.07068	11.4
58.06582	0.8
62.06072	0.4
70.06203	0.7
70.06577	17.8
71.08617	4.9
71.59164	0.4
84.47074	0.3
85.10150	2.1
88.07615	22.1
101.69162	0.4
102.09145	4.1
106.08645	9.7
117.94767	0.3
160.22031	0.4
219.52107	0.4
222.66472	0.4
242.23056	0.4
268.29984	0.4
286.30905	0.8
293.26181	0.4
311.37439	0.4
312.32538	8.6
325.48953	0.5
330.33600	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.1391
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.7
55.01857	4.0
56.96537	0.5
57.03424	12.1
59.04992	3.2
60.04495	0.3
61.02914	4.8
63.02335	0.4
69.03415	10.6
71.01322	0.8
71.04951	1.5
71.95125	0.3
72.08129	0.7
73.02893	10.9
75.04446	0.5
77.37386	0.3
79.05469	1.3
81.03378	1.8
83.04961	1.9
84.08133	0.5
85.02884	18.9
87.04452	6.7
89.03889	6.9
91.03918	0.8
91.05442	0.4
97.02868	14.8
98.97564	0.5
99.04426	0.6
103.03895	0.8
105.05500	3.2
107.04934	4.0
109.02877	1.3
112.99090	0.4
115.03919	9.3
116.98637	0.4
117.03354	14.0
121.02829	1.8
127.03885	2.8
128.33643	0.3
133.04941	22.1
135.04385	31.5
138.05461	0.6
145.02815	19.0
145.03954	0.7
145.04913	2.1
145.09593	0.3
149.07996	0.5
151.03883	8.0
151.05931	3.2
158.99605	0.4
163.03867	100.0
164.04175	0.8
166.07239	0.7
169.04944	0.7
169.90782	0.3
174.03999	0.4
208.26447	0.4
229.00484	0.4
241.06924	0.6
258.79150	0.3
259.08124	0.6
278.31796	0.4
295.10327	0.4
308.64548	0.4
332.38000	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	330.0818
Annotation	Unknow
Peak:m/z	Relative Intensity
54.63899	0.2
55.01860	0.2
56.96539	0.3
61.02917	0.3
63.02346	0.3
69.03402	1.0
71.62309	0.2
72.72301	0.2
79.05466	1.6
85.02885	2.2
85.06521	1.2
86.06878	0.2
88.02207	1.7
89.03375	0.4
89.03900	8.7
95.04951	0.4
97.02883	1.2
98.09663	0.3
98.97560	0.3
103.07558	0.5
105.03369	0.3
107.04941	2.9
109.02805	0.2
113.05970	0.3
114.06331	0.3
117.03364	12.4
122.06002	0.4
133.02773	0.8
135.04393	30.2
136.06168	0.3
145.02835	19.4
145.03839	0.7
147.04434	0.4
150.05470	0.4
151.03882	6.2
162.01250	0.3
163.03873	100.0
164.04242	0.3
168.06541	1.1
168.10201	0.3
169.04984	0.8
179.01704	0.3
213.05406	1.0
223.04240	3.1
231.06522	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81738	1.6
55.05504	8.0
57.07050	6.7
67.05490	11.3
69.07058	29.3
72.78835	1.5
79.05466	14.4
81.07035	100.0
86.25329	1.8
91.05460	8.0
93.07036	24.8
95.08571	33.5
97.10131	1.9
105.07001	21.9
107.08586	20.5
109.10149	11.3
119.08566	19.9
121.10123	15.7
123.11690	7.1
131.08504	5.3
133.10115	15.6
135.11703	12.2
137.13271	2.9
145.10121	8.0
147.05490	1.7
147.11662	9.5
149.13213	3.1
157.10143	1.8
159.11662	12.5
161.13252	8.3
171.11603	1.9
173.13211	3.9
175.14777	3.4
187.14876	2.6
189.16396	3.7
203.17894	2.9
215.17914	1.9
229.19528	2.6
269.71915	1.8
311.27261	9.0
312.06207	1.6
329.28302	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	329.2834
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81980	7.6
55.05492	34.2
57.07051	8.8
67.05476	14.7
69.07043	65.4
76.90317	9.5
79.05451	28.6
81.07032	97.8
83.08602	8.1
91.05450	32.4
93.07024	92.4
95.08593	100.0
99.08052	8.9
105.07019	63.9
107.08565	63.3
109.10145	39.3
119.08559	79.3
121.10098	83.0
123.11704	16.0
131.08543	13.2
133.10153	41.4
135.11641	18.2
145.10071	15.6
147.11641	37.1
149.13222	12.1
157.10144	12.5
159.11678	40.0
161.13228	51.6
173.13251	11.0
187.14835	19.0
189.16296	33.3
203.17928	14.4
240.90843	33.1
241.19569	10.2
282.91922	15.2
306.92050	10.9
311.27335	32.8
329.28552	54.7
329.32123	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	329.2835
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81496	2.9
55.05504	27.5
57.07059	10.8
60.21126	2.1
62.66835	2.4
67.05493	34.0
69.07054	45.4
71.04972	11.4
79.05485	18.9
81.07034	68.6
83.08601	12.6
85.06512	3.8
91.05441	26.3
93.07021	93.2
93.07574	5.5
94.59289	2.7
95.08585	72.7
95.09182	3.1
97.10140	6.9
99.08070	16.8
105.07014	61.0
107.08580	100.0
109.06487	3.8
109.10142	64.9
117.07006	6.5
119.08559	75.7
121.10126	53.7
123.11695	13.4
131.08533	26.4
133.10103	48.6
133.85345	2.7
135.11646	40.3
137.13237	5.4
143.08554	4.6
145.10110	39.5
147.11652	37.0
149.13216	15.5
153.88980	2.7
157.10129	11.7
159.11668	45.5
161.13191	27.2
163.14821	10.7
165.12791	4.1
171.11687	12.0
173.13229	46.8
175.14780	21.6
177.12633	3.4
177.16414	6.1
185.13277	11.5
187.14764	15.6
189.16377	21.7
199.14717	9.7
201.16403	13.8
203.17992	4.2
213.16367	14.4
215.17943	16.3
222.89958	3.7
227.17845	5.3
229.19426	32.8
240.90952	19.4
241.19579	5.4
255.21025	15.6
269.22455	4.4
271.24118	13.9
282.91962	5.6
306.91946	4.2
311.27185	34.5
329.28326	35.5
333.67398	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	329.2085
Annotation	Unknow
Peak:m/z	Relative Intensity
51.54935	1.1
58.64628	1.3
64.33373	1.5
64.51246	1.3
65.88892	1.2
67.34188	1.3
69.07051	2.5
72.04498	5.6
92.96191	1.4
105.07008	2.1
116.84023	1.4
191.03656	1.4
222.89871	6.2
240.90829	25.0
247.90601	2.0
251.14456	1.7
264.90936	1.8
282.91885	6.8
289.04132	1.5
300.72876	1.6
306.91830	9.8
310.31119	3.4
311.31335	3.2
324.92963	5.6
328.31906	1.5
329.20828	100.0
329.32904	1.7
352.81491	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.2472
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
53.03926	2.6
55.01855	2.3
55.05505	32.4
56.12808	1.4
57.07064	3.1
59.04992	1.6
67.05495	35.2
68.05800	2.4
69.07052	24.2
70.06582	2.1
71.04984	2.7
72.08140	2.0
72.15726	1.5
75.22025	1.5
79.05473	28.9
80.05775	1.6
81.07039	90.1
83.04951	7.9
83.08589	8.4
85.06532	33.2
88.07623	3.8
91.05460	28.0
93.07026	55.1
95.04967	2.1
95.08584	45.9
97.06491	6.7
97.10143	2.5
99.04446	10.0
101.06001	8.3
103.05458	3.4
105.03390	2.4
105.07014	67.8
106.07364	2.1
107.08579	90.6
109.06525	12.9
109.10139	29.9
110.10456	2.8
117.07007	11.0
119.08547	56.7
121.10125	50.6
123.08057	2.3
123.11684	10.9
127.07575	8.7
128.06123	2.4
129.06944	3.2
131.04930	14.3
131.08546	34.3
133.10092	32.4
134.10439	3.4
135.08025	2.3
135.11635	13.5
141.09161	2.0
142.07765	2.5
143.08546	6.8
144.09331	3.1
145.10104	46.9
147.11659	18.7
149.09604	9.1
149.13254	10.5
151.11198	3.3
155.08505	1.7
157.10120	16.3
158.10918	2.5
159.11668	73.2
161.13200	18.9
163.11163	2.6
163.14862	3.0
167.10652	7.8
169.10127	7.2
171.11681	10.1
173.13210	27.6
175.11078	2.7
175.14777	6.7
185.13264	8.5
186.21474	1.6
187.14789	22.7
189.16313	3.2
195.11624	2.1
197.13190	3.0
199.14824	6.6
201.16362	20.4
203.17929	2.1
209.09607	9.4
211.14804	3.3
213.16393	8.2
215.17902	33.8
219.13766	2.8
225.16414	2.2
227.14240	2.8
227.17767	2.1
229.19495	3.1
233.15392	2.6
243.17503	2.5
255.17299	1.8
269.18936	3.0
273.18390	4.0
276.20377	2.4
293.22647	3.4
294.21466	2.1
311.23761	6.6
321.82147	1.9
328.32047	7.1
329.24698	100.0
329.32520	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	329.2469
Annotation	(4Z,7Z,10Z,13Z,16Z,19Z)-Docosahexaenoic acid
Peak:m/z	Relative Intensity
55.05500	34.0
56.72724	6.6
67.05490	14.5
69.07043	14.9
79.05486	15.6
81.07034	100.0
85.06516	17.5
91.05439	16.8
93.07008	77.3
95.08570	48.9
98.98453	13.1
105.07037	54.1
107.08577	77.4
109.10128	33.0
119.08530	59.7
121.10149	31.2
131.08548	27.1
133.10123	17.0
145.10126	38.6
147.11711	12.7
149.13258	14.3
153.38148	8.3
153.94157	7.7
157.10269	8.2
159.11684	43.8
161.13170	8.3
171.11662	8.5
173.13196	9.5
185.13284	11.8
187.14848	14.0
200.17896	7.3
201.16380	13.1
213.16290	12.9
215.17917	16.4
217.52711	7.2
248.42133	7.7
311.23462	7.9
323.24802	7.1
329.20941	11.0
329.24591	50.2
330.30423	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	329.1591
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
53.03926	1.8
53.66158	0.7
55.01859	1.7
55.05499	3.4
55.58833	0.6
57.03424	3.1
57.07048	1.1
59.04983	1.6
61.02900	1.8
65.03890	0.7
67.05482	5.2
69.03074	0.8
69.03413	13.2
69.07040	3.2
70.06557	0.7
70.10599	0.6
71.04971	0.9
73.02888	1.0
74.61472	0.7
79.05471	18.2
81.03381	4.7
81.06593	1.4
81.07031	24.5
83.04954	4.9
85.02889	15.6
85.06537	0.9
87.04453	1.1
91.05449	13.5
93.07014	45.4
95.04954	6.7
95.08585	11.9
97.02869	6.7
97.06497	3.7
101.02335	0.8
105.07005	22.1
106.07790	1.1
107.04936	1.7
107.08580	9.1
109.02895	1.6
109.06493	7.2
109.10111	1.1
111.04449	1.5
111.08067	1.7
119.08558	6.6
121.06470	8.1
121.10112	100.0
123.08062	6.1
123.11659	11.6
125.05976	6.2
126.01034	0.9
127.03912	3.6
131.08517	5.6
133.07542	1.7
133.10075	1.8
135.61674	0.8
137.04663	0.7
139.11159	5.9
145.04897	1.0
145.10118	1.8
147.04372	1.0
147.08061	1.3
148.04698	1.2
149.09595	15.8
151.07494	5.6
167.10631	10.1
190.57047	0.9
247.13144	0.9
329.15549	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	329.1872
Annotation	Unknow
Peak:m/z	Relative Intensity
54.60338	3.5
55.05500	58.4
55.97152	3.2
56.05833	4.4
56.96535	5.9
57.03421	4.0
57.07061	6.0
58.07402	4.5
61.99297	3.5
67.05485	29.3
69.03395	5.4
69.07044	39.7
70.06563	28.5
70.07389	5.8
74.06049	17.4
79.05451	23.3
81.07026	55.9
83.04978	9.4
83.08612	9.7
88.07596	30.8
91.05441	27.0
93.07011	59.9
95.04913	9.6
95.08580	40.8
102.09155	4.9
105.07008	51.6
106.08642	9.0
107.04935	7.1
107.07944	4.2
107.08565	39.2
109.06485	9.9
109.10091	16.5
111.08065	6.2
114.85500	3.9
117.06973	8.2
119.08547	46.0
120.35976	3.9
121.06473	4.8
121.10083	23.7
123.07995	5.1
123.11583	5.5
128.74648	4.2
131.08569	19.9
133.10069	10.1
134.10365	4.9
135.11676	9.6
143.08499	7.2
145.06445	3.8
145.10068	26.2
149.09608	8.1
149.13249	4.7
155.08479	5.7
157.10139	7.7
159.11681	19.0
161.09570	5.1
161.13239	8.3
171.11627	6.9
177.12486	6.4
199.14690	4.3
203.14325	4.5
213.16235	7.8
225.93973	4.2
227.17905	7.1
289.17242	4.5
310.31067	6.3
311.23502	4.9
311.31171	6.8
328.31967	100.0
329.21069	7.9
329.24530	9.0
329.32336	71.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1593
Annotation	Xylaroside A
Peak:m/z	Relative Intensity
52.19239	0.9
53.03932	5.6
55.01847	2.1
55.05501	8.2
56.67186	0.9
57.03419	7.3
57.07069	1.5
57.15934	0.9
61.02908	2.6
64.06932	1.1
67.05486	7.7
69.03411	15.0
69.07063	1.6
69.57761	1.0
70.06572	1.2
71.04978	1.3
72.08179	1.3
73.02897	1.5
75.04462	4.3
78.60201	1.3
79.05473	23.8
80.67429	1.0
81.03390	2.5
81.07040	21.2
82.67957	1.1
85.02895	33.0
85.06544	1.7
86.02477	1.2
87.04453	6.0
91.05464	21.4
92.09315	2.2
93.07023	97.7
95.04955	8.6
95.08592	10.9
96.83250	1.1
97.02866	10.4
97.06529	1.8
98.98466	1.5
99.04482	1.3
105.07019	23.4
106.07788	1.1
107.04942	1.7
107.08558	18.0
109.02857	2.2
109.06507	1.7
109.10149	2.0
111.08083	11.7
119.08556	4.5
121.06499	4.7
121.10120	100.0
123.08079	5.1
123.11693	2.8
125.05972	1.7
127.03899	5.4
127.95484	1.0
131.08537	5.3
133.06499	2.8
133.07559	1.5
133.10091	1.3
139.11150	11.3
145.04968	1.9
148.04597	1.2
149.09619	8.6
149.13223	1.6
151.07516	1.8
151.11305	1.2
160.12993	1.2
167.10625	8.7
198.73184	1.5
325.52145	1.1
329.15686	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	329.1592
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
55.01850	1.0
55.05503	3.7
57.07065	2.0
67.05488	1.6
69.03423	4.2
69.07056	4.2
69.89082	0.8
71.01347	4.6
79.05473	5.2
79.37070	0.9
81.07034	4.0
83.04970	1.8
85.02891	9.1
86.09663	0.9
88.70490	0.9
91.05464	1.6
93.07053	6.3
95.04983	1.2
95.08593	1.8
97.02886	2.1
97.10166	3.5
98.64562	0.9
105.07017	17.7
107.08587	5.2
111.04426	8.9
111.05551	12.6
119.08554	2.2
121.06454	1.2
121.10122	100.0
123.08070	4.5
125.05902	1.1
131.08594	1.5
133.07593	1.4
139.11137	2.2
145.02861	1.2
146.03156	3.7
148.04793	1.5
149.05911	1.0
149.09665	4.3
150.80501	0.9
157.06050	11.5
163.03876	1.6
164.62257	1.0
167.07034	1.3
167.10646	24.0
177.05363	1.3
178.05757	4.2
204.47586	0.9
212.25717	1.1
212.53195	1.0
329.11786	0.9
329.15530	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	329.1594
Annotation	Thymoquinol 2-O-beta-glucopyranoside
Peak:m/z	Relative Intensity
54.81231	0.6
55.01849	0.9
55.05497	0.7
57.03430	1.2
57.07067	1.0
61.02911	0.6
67.05494	0.8
69.03410	3.2
69.07055	2.6
71.01337	3.6
71.04984	0.6
72.08156	0.8
73.02876	0.7
76.07471	0.5
79.05466	4.2
80.98700	0.6
81.03413	0.6
81.07043	3.0
83.04969	2.4
83.08593	0.5
85.02889	7.0
85.06539	1.0
86.18608	0.5
91.05466	3.0
93.07026	5.2
95.04942	1.2
95.08597	3.0
97.02840	4.0
97.10157	4.4
98.98447	0.7
101.77149	0.6
103.05442	0.8
105.07010	14.3
107.04926	0.6
107.08562	4.9
108.10786	0.7
109.02908	1.0
111.04443	8.0
111.05564	2.2
111.08083	1.1
117.03313	0.6
118.03672	0.6
119.08553	3.4
121.10120	100.0
123.08029	6.4
125.09619	0.8
127.03902	0.8
131.08536	1.2
133.07573	2.0
137.09573	0.8
138.87708	0.6
139.11177	2.3
145.02774	0.8
145.04948	0.8
146.03148	2.5
147.04390	0.8
148.02148	2.2
149.02449	2.7
149.09598	2.6
157.06068	1.3
163.03902	0.7
166.03183	1.2
167.03560	1.1
167.09207	0.6
167.10640	19.1
177.05437	2.2
178.05791	3.4
190.77579	0.6
303.63095	0.6
329.15579	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	329.1568
Annotation	Unknow
Peak:m/z	Relative Intensity
50.82933	0.4
57.03424	1.1
65.50706	0.6
67.05488	1.5
69.03404	1.0
69.07027	0.8
70.06567	1.3
72.17255	0.6
74.53813	0.5
75.04448	1.1
79.05463	2.8
81.07045	3.4
83.04961	1.2
85.02877	3.0
85.06532	1.0
86.09698	1.0
91.05439	2.6
93.07020	5.0
95.04944	0.9
95.08559	1.1
97.02879	0.8
97.06488	1.0
98.98415	1.0
99.04440	0.8
105.03364	6.9
105.07012	1.3
107.08574	1.4
111.04470	2.7
112.28174	0.6
119.08575	1.0
119.88696	0.6
121.06448	0.8
121.10134	3.7
123.04430	0.7
125.05991	0.9
133.06410	1.2
149.09596	3.4
149.13261	0.8
163.03839	0.8
167.10629	7.1
203.05237	5.3
329.15643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.1226
Annotation	Androsin
Peak:m/z	Relative Intensity
53.03930	0.7
55.01859	1.2
55.05482	0.4
56.96558	0.3
57.03410	0.4
59.04990	2.4
61.02917	0.8
65.03925	2.1
69.03416	2.5
70.06563	0.5
73.02896	13.6
73.06549	1.2
73.80501	0.3
79.05463	0.4
81.03391	0.7
81.07002	0.4
83.01340	0.3
85.02887	7.3
91.03934	0.6
91.05468	0.7
93.06991	0.4
95.04948	4.0
95.08566	0.5
97.02877	2.0
105.03366	2.7
107.04951	0.7
109.02824	0.8
111.04427	1.7
115.05394	0.4
115.10973	0.3
118.22488	0.3
119.04944	3.7
120.04415	0.7
121.02840	100.0
121.06461	3.0
123.04381	0.4
125.70934	0.3
127.03913	0.8
133.02832	0.6
134.03207	0.5
135.04420	0.7
139.03873	0.6
145.04970	0.4
148.03885	1.3
149.05952	34.1
149.11780	0.3
163.03923	1.8
166.04951	1.7
167.05444	2.1
167.06990	41.1
170.04417	0.3
179.15039	0.4
329.07990	0.4
329.11966	3.5
329.15543	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2478
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19844	0.8
54.30490	0.8
54.81733	0.9
55.01847	1.9
55.05273	1.1
55.05507	26.5
57.03407	2.5
57.07045	2.1
57.88234	0.9
58.06591	1.2
66.09979	0.9
67.05501	8.1
69.07050	24.1
70.06572	19.4
71.04960	1.8
71.08602	1.4
74.06050	6.8
74.98068	0.9
77.03934	0.9
79.05451	9.5
81.03393	1.1
81.07038	14.2
83.04963	8.6
83.08586	6.2
85.10175	1.1
85.32177	1.1
85.64629	1.0
88.07608	20.8
91.05450	11.5
93.07014	10.6
95.04932	5.3
95.08575	8.0
97.06509	2.1
97.10128	2.3
98.98444	1.9
101.66663	1.2
102.09130	6.7
105.07017	7.6
106.08662	10.1
107.08548	6.5
109.06486	7.1
109.10167	2.1
111.08052	4.8
117.06977	2.0
119.08556	6.1
120.08858	1.2
121.06466	4.2
121.10110	1.9
123.08058	4.2
131.08517	2.4
133.10092	2.7
133.32109	1.3
135.08047	1.6
135.11555	1.6
141.06976	1.2
145.10124	1.2
146.81018	1.0
147.11652	1.9
149.13274	1.4
173.13112	1.3
177.12711	1.6
179.03354	1.3
190.95270	1.9
191.14243	1.3
204.86452	1.1
206.51704	1.2
232.13475	1.3
245.61047	1.2
275.20151	1.3
293.21170	10.5
310.31113	8.6
328.32019	100.0
335.62466	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.3205
Annotation	N-(2-Hydroxyethyl)octadecanamide
Peak:m/z	Relative Intensity
53.03938	0.9
54.81672	0.4
55.01872	0.5
55.05238	0.7
55.05503	17.3
55.81387	0.4
57.03407	0.5
57.07047	2.6
58.06565	0.6
58.95256	0.4
60.36620	0.3
61.01914	0.4
62.06071	0.5
67.05474	1.9
67.74905	0.4
69.07050	13.9
70.06197	0.8
70.06574	17.7
71.04999	0.5
71.08643	0.5
74.06052	0.6
79.05475	1.0
81.07028	3.0
83.04949	0.8
83.08595	5.8
88.07609	20.9
91.05463	4.8
93.07030	4.3
95.04943	2.0
95.08572	2.6
97.10135	1.7
98.98459	0.7
102.09178	4.9
105.07011	0.9
106.08651	9.3
107.08549	0.7
110.53728	0.4
119.08543	1.7
121.06493	5.9
121.10104	0.5
131.08551	0.6
132.10233	0.5
149.05952	45.4
177.12589	0.6
310.30957	8.5
311.16660	3.2
328.32022	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	329.0653
Annotation	(-)-Acanthocarpan
Peak:m/z	Relative Intensity
53.03934	1.8
55.05507	2.5
56.96553	2.2
57.03409	2.2
59.05002	1.8
60.04510	1.8
67.05487	3.2
68.99776	12.9
69.03407	2.6
69.07047	3.3
79.05470	3.3
81.03382	1.4
81.07047	6.7
83.08588	1.4
85.02879	8.6
87.04444	5.4
91.05457	2.8
92.08719	2.1
92.69193	1.3
93.07020	16.0
95.04975	1.5
95.08593	3.4
97.02885	2.6
97.06519	1.7
98.98421	1.3
105.07011	6.5
105.30495	1.3
107.08591	1.9
109.10178	1.6
111.00794	12.5
119.08512	1.8
121.10109	14.0
127.03877	1.4
131.08521	3.0
133.10083	2.9
135.07976	1.4
146.03624	3.4
149.09619	1.9
161.05978	13.8
174.03162	2.3
189.05457	26.9
191.06989	5.9
202.02606	8.7
203.03320	6.4
212.04669	2.5
217.04929	100.0
239.18130	1.5
301.07065	2.8
329.02628	2.9
329.06512	72.4
330.03418	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.2479
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00286	1.4
53.03917	1.6
53.09528	0.8
55.01861	3.4
55.05504	26.5
56.05026	0.9
57.03420	5.5
57.07061	7.0
58.06577	0.9
67.05485	17.2
69.03411	1.0
69.07055	25.1
70.06573	15.6
71.04963	6.6
73.02878	0.9
73.58117	0.8
74.13431	0.8
77.89730	0.7
79.05467	12.5
81.03384	3.9
81.06594	1.4
81.07040	26.6
81.07526	1.0
83.04961	10.8
83.08612	7.8
85.06515	4.5
88.07614	19.4
91.05455	12.7
93.07024	20.5
95.04967	6.0
95.08579	26.4
97.06500	5.9
97.10159	1.6
98.09615	0.8
98.98412	1.2
102.09161	5.5
105.07032	11.5
106.08656	9.7
107.04939	1.9
107.08570	11.0
109.06497	8.3
109.10104	1.6
111.08062	5.3
115.05449	1.3
117.06991	4.8
119.08535	10.4
121.06479	1.6
121.10125	4.6
123.08052	13.9
124.51649	1.0
125.06030	0.9
129.06929	1.3
131.08534	7.5
133.02876	1.6
133.10110	5.7
135.08020	4.6
135.11652	1.3
137.13220	3.4
139.07547	1.6
142.07698	1.0
143.08533	2.0
145.10072	4.6
147.08040	0.9
149.09592	3.4
149.13191	1.8
151.11165	1.2
153.12704	1.2
155.08527	0.9
157.10054	2.0
159.08029	0.9
159.11656	1.3
161.09470	1.1
161.13245	1.9
165.12762	1.1
167.14153	0.9
173.13292	1.2
176.24388	0.9
177.12729	2.0
179.14333	1.4
187.14738	1.2
189.12704	4.2
191.14278	1.4
196.61583	1.0
203.14287	1.1
237.14697	1.0
257.18854	1.9
275.19974	6.8
310.30820	6.4
325.32083	0.9
328.32019	100.0
329.21030	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.1962
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	0.4
56.91371	0.4
57.03431	3.6
59.04989	51.6
61.02914	2.2
61.99199	0.4
65.19448	0.4
66.19771	0.4
69.03427	3.0
73.06537	100.0
78.54321	0.4
80.43812	0.4
81.03397	1.1
85.02891	13.1
85.03368	0.7
86.09693	0.6
97.02896	2.0
109.02905	0.6
117.09093	4.6
119.04938	0.5
120.74561	0.4
127.03844	0.8
131.04930	2.8
131.10678	4.8
145.04979	0.6
149.05959	3.0
149.11711	28.6
150.48973	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	328.0847
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
54.44670	0.4
55.01861	0.9
57.03431	3.3
59.04981	0.8
61.02908	4.6
69.03415	12.7
71.04958	0.6
73.02884	2.4
79.05474	0.6
81.03395	4.3
81.07049	0.4
81.50576	0.4
85.02891	28.8
87.04446	2.5
87.31813	0.4
89.03893	1.8
91.03903	0.7
91.05449	0.6
93.06977	0.5
97.02863	9.1
99.04425	1.9
101.77059	0.4
104.04967	0.7
109.02868	2.4
114.38271	0.5
117.03358	6.6
119.04896	0.4
120.08060	0.5
123.08089	0.5
127.03889	5.0
131.35548	0.4
133.02835	1.6
135.04413	0.7
136.01010	0.5
145.02821	13.0
145.04906	3.1
147.04396	3.4
148.02136	100.0
148.07567	2.2
149.05954	2.5
161.89348	0.4
163.03862	2.1
166.03189	67.1
166.08540	3.3
166.12224	3.0
175.65970	0.5
176.84059	0.4
177.05432	12.3
241.60228	0.4
254.16545	0.5
284.19003	0.5
325.97879	0.5
328.08383	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	328.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25703	0.5
54.81363	0.5
55.01855	0.7
55.05500	0.7
57.03427	4.4
57.06803	0.8
57.07064	10.4
58.71357	0.5
59.04988	9.2
59.63881	0.4
61.02909	1.0
63.21813	0.6
67.05489	13.3
69.03417	7.0
69.07059	2.2
70.06566	1.0
71.04979	6.7
72.47525	0.5
73.02881	1.2
73.06516	0.7
75.04453	2.0
77.66238	0.5
81.03396	2.2
83.04962	1.3
85.02892	13.4
85.06525	100.0
87.04445	2.7
89.05991	0.5
95.04947	18.0
97.02881	4.0
99.04420	0.6
101.02367	2.3
101.05984	5.9
103.07556	55.3
109.02914	0.9
113.05983	42.5
127.03922	2.1
131.07005	37.9
141.69446	0.5
145.04892	0.8
148.07564	3.5
149.08066	45.6
166.07356	0.7
166.08607	4.5
200.70468	0.6
224.98976	0.5
274.71991	0.6
287.11993	0.6
328.13992	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.2891
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	2.6
53.94568	1.6
55.05511	32.5
57.07063	11.5
67.05494	40.7
69.07063	43.6
71.04995	3.3
71.08617	3.9
79.05486	18.7
81.07041	100.0
83.08607	21.6
85.06534	7.4
91.05468	13.9
93.07027	48.3
95.04946	4.0
95.08588	81.9
97.06528	3.3
97.10143	13.8
98.98456	2.1
105.07016	22.9
107.08570	32.3
109.06548	6.7
109.10146	40.8
111.11692	3.2
119.08549	14.6
121.10107	25.2
123.08021	3.2
123.11668	13.8
133.02832	11.8
133.10117	10.1
135.11684	11.1
137.05949	7.6
137.13239	3.2
147.11633	9.9
149.13199	14.3
149.21988	1.7
161.13179	2.1
163.14822	2.6
166.29887	1.7
175.14903	2.7
273.25708	4.2
279.26721	2.5
291.26807	7.9
309.27966	2.8
326.56625	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	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
50.64551	2.5
51.02368	1.9
53.03933	5.9
55.05505	26.0
57.03423	2.6
57.07058	9.4
59.05000	4.3
67.05502	44.7
69.07062	22.7
71.04979	3.1
72.08127	10.0
72.67630	2.3
79.05472	37.2
81.03397	3.1
81.07041	45.9
83.04966	3.8
85.06528	3.2
91.05457	55.5
92.08684	3.6
93.07030	100.0
95.04951	85.1
95.08588	79.5
97.06496	15.0
97.98471	2.4
103.05433	2.7
104.93188	2.4
105.07017	93.6
107.08587	45.3
109.06515	12.0
109.10125	24.1
115.05437	5.6
116.06221	2.9
117.06975	24.2
119.08559	74.9
121.06481	15.7
121.10128	31.6
123.08053	14.2
123.11670	4.5
128.06210	9.3
129.06969	16.3
130.07751	10.2
131.08551	39.2
133.10114	54.1
135.08054	11.3
135.11693	12.6
141.07050	3.2
142.07765	23.3
143.08582	26.8
144.09326	10.7
145.10110	52.6
147.08026	4.3
147.11655	14.6
151.10944	2.6
153.06950	3.1
154.07755	4.0
155.08559	12.7
156.09337	12.3
157.10094	34.5
158.10826	5.0
159.08083	3.2
159.11684	38.1
161.09575	21.7
161.13190	3.2
169.10124	14.8
170.10881	9.7
171.11661	12.8
173.09544	2.9
173.13220	13.2
175.14803	12.9
181.10069	5.9
183.11748	11.5
185.13219	4.6
187.14827	9.2
195.11598	3.8
196.12482	3.3
197.13290	10.3
199.14828	4.6
207.11601	2.7
209.13249	5.6
211.14777	6.2
211.87090	2.6
213.16328	4.7
221.13142	2.6
223.11195	2.8
223.14854	3.8
225.16298	4.9
235.14706	3.3
309.22070	4.1
310.30881	4.7
327.23001	4.8
327.33588	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	327.2315
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	6.9
54.81622	1.1
55.01856	3.0
55.05502	22.0
57.03421	8.8
57.07053	8.3
57.07318	1.3
59.04974	1.2
60.15791	1.2
65.03922	1.7
67.05144	1.7
67.05489	44.7
69.03402	3.2
69.07050	20.3
71.04967	4.9
75.52981	1.3
78.22497	1.3
78.66746	1.3
79.05471	39.6
79.59921	1.1
81.03392	5.7
81.07037	55.0
83.04943	5.7
83.08589	6.5
84.86511	1.3
85.06504	5.0
85.31780	1.1
91.05458	68.8
92.09393	4.8
93.07023	100.0
95.04942	74.5
95.08582	71.2
96.78617	1.3
97.06510	23.3
98.98387	1.4
103.05459	2.2
105.07008	95.8
107.04926	1.5
107.08571	37.9
109.06490	20.0
109.10147	21.2
110.22184	1.1
115.05409	8.2
116.06225	1.9
117.06998	28.7
119.07706	2.9
119.08553	79.7
120.09407	1.5
121.06495	15.5
121.10110	48.4
123.08035	11.6
123.11691	5.9
128.06186	8.3
129.06979	15.4
130.07770	12.9
131.08545	46.1
133.06448	2.9
133.10089	49.3
135.08009	8.4
135.11639	12.2
137.09555	3.0
141.06941	6.6
142.07750	20.2
143.08524	35.7
144.09315	11.6
145.06441	4.9
145.10100	49.3
146.07135	2.2
146.10876	1.5
147.08029	5.0
147.11649	19.3
149.09570	2.2
149.13184	1.8
153.06969	3.1
155.08533	8.2
156.09314	12.3
157.10094	36.1
158.10886	6.7
159.08051	2.6
159.11661	41.6
160.12419	2.3
161.09564	15.4
161.13213	6.2
163.14838	1.7
165.06932	1.9
167.08501	3.0
168.09460	1.2
169.10078	17.9
170.10918	6.9
171.11691	18.0
173.09546	2.2
173.13200	16.7
175.14774	8.5
179.08527	6.1
181.10075	7.3
182.10837	2.4
183.11649	8.1
184.12384	1.5
185.13264	10.3
187.11133	8.1
187.14754	11.9
189.12706	2.4
193.10081	2.6
194.10870	2.2
195.11653	6.9
196.12312	2.2
197.13257	9.3
199.14825	8.0
205.15987	1.5
206.10782	1.7
208.58861	1.6
209.13249	6.5
211.14772	9.0
213.16302	3.1
217.15771	3.0
225.16328	2.6
237.16368	1.5
249.16367	1.7
253.15746	2.5
269.22659	2.3
309.22113	7.6
327.19165	6.1
327.23056	4.2
327.26529	4.7
330.17538	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	327.107
Annotation	p-Coumaroyl-D-glucose
Peak:m/z	Relative Intensity
50.75957	0.2
55.01847	0.4
55.05497	0.9
61.57937	0.2
63.02407	0.2
65.03913	1.3
66.34052	0.2
69.03398	0.3
70.06564	0.9
71.04989	0.4
76.56535	0.2
81.03387	0.3
83.08601	1.8
84.08914	0.4
85.02850	0.8
87.82848	0.2
88.78487	0.2
91.05458	10.9
95.04922	0.4
97.02846	0.4
98.97544	0.4
98.98442	0.3
107.04918	0.2
111.04407	0.2
111.08017	0.4
119.04913	31.6
123.04364	0.8
128.16127	0.2
129.09091	1.1
133.02881	0.2
137.05826	0.2
143.04936	0.3
147.04381	100.0
149.05884	0.5
151.03801	0.3
161.05951	0.3
164.57088	0.2
165.05431	22.7
175.07478	0.3
177.05420	0.9
189.05348	0.3
203.07036	0.3
203.43930	0.2
205.91164	0.2
215.79271	0.2
227.06987	0.4
327.13980	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.2322
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	23.0
55.05504	15.4
57.03418	6.9
60.80265	1.2
61.88297	1.3
65.03996	1.3
66.43645	1.2
67.05141	3.2
67.05491	66.6
69.03414	3.8
69.07058	22.4
69.59372	1.7
71.04986	13.3
71.05312	1.8
79.05473	29.5
80.84895	1.3
81.07039	75.8
83.04976	10.8
85.06528	8.0
91.05460	45.5
92.08701	1.6
93.07023	27.9
95.04932	8.5
95.08568	15.3
97.06506	3.3
99.04388	3.5
105.07014	55.7
107.04942	8.4
107.07866	2.0
107.08578	51.9
109.06483	9.2
109.10145	100.0
113.05985	1.8
117.06991	2.4
119.08542	7.0
121.10115	1.5
123.08057	2.3
123.11671	8.7
127.07537	2.9
131.08542	6.6
133.10103	95.3
135.08054	3.5
136.08249	1.7
142.01506	1.4
143.08534	1.8
145.10052	2.3
149.09552	1.8
151.11171	36.6
161.09506	2.1
169.12270	16.6
210.01967	10.3
215.12732	7.1
257.07745	1.9
273.18430	10.3
291.19415	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	326.2171
Annotation	Unknow
Peak:m/z	Relative Intensity
53.89131	0.4
54.17522	0.4
55.05509	11.6
57.03427	2.3
57.07057	1.3
61.02911	1.1
65.67077	0.4
67.05484	0.9
69.03406	2.2
69.07054	100.0
71.04982	2.3
72.08141	1.0
73.02895	0.5
83.08618	2.5
85.02888	13.1
85.16342	0.5
87.08102	0.6
89.06016	1.1
97.02872	4.3
98.97556	0.7
101.06037	0.7
104.87769	0.5
105.03382	1.1
107.04983	0.7
111.11700	25.1
127.03896	2.0
129.09074	1.0
129.12732	29.1
133.02823	3.4
145.04938	0.5
147.10117	0.8
147.13782	6.8
151.37764	0.6
156.14549	0.5
171.02829	0.6
173.86314	0.5
179.03413	1.2
239.24525	0.6
254.05966	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
50.27197	1.5
53.03931	2.4
54.81853	1.2
55.01846	2.0
55.05502	14.4
56.71717	1.2
56.96551	1.9
57.03412	7.4
59.04961	1.3
61.02912	10.7
69.03407	20.4
69.07038	10.8
71.04969	7.3
73.02882	5.2
81.03388	8.4
83.08597	30.2
85.02883	100.0
87.04441	1.9
89.05999	1.5
91.03946	2.8
92.09388	1.7
93.91356	1.4
97.02851	23.7
98.97566	3.1
99.04427	3.0
101.09657	2.6
107.08553	1.6
108.08137	1.9
109.02851	7.5
111.11652	1.7
116.98643	1.6
117.07039	1.5
127.03853	18.0
129.09073	8.0
129.12686	2.1
145.04945	24.1
147.10147	6.3
150.12766	2.4
163.05943	5.8
282.16937	8.1
326.19659	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	326.1805
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01851	0.9
57.03418	2.4
59.04980	1.5
59.94803	0.5
61.02900	2.8
69.03416	5.8
69.07052	65.2
70.95003	0.5
71.04972	3.3
72.44405	0.5
73.02874	0.8
73.06541	3.4
81.03395	1.2
84.04488	1.1
85.02888	19.5
87.08087	100.0
97.02855	5.5
97.06499	0.7
105.09121	1.4
105.22323	0.6
110.59084	0.7
111.47654	0.7
119.10670	13.1
127.03864	1.3
128.10675	1.5
129.09097	2.7
147.10141	32.6
156.10149	1.1
162.06706	0.7
196.03093	0.7
205.13121	0.6
231.56943	0.6
257.44373	0.6
273.93213	0.7
304.05618	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	326.1444
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	0.9
55.01858	1.3
55.05500	7.0
57.03434	6.9
57.07050	4.9
59.04992	1.2
61.02913	5.2
63.11951	0.6
65.03923	3.8
66.58885	0.8
67.05491	61.9
69.03414	8.7
71.04987	2.6
73.02888	1.8
73.06536	1.8
81.03383	4.1
83.04964	20.6
84.39716	0.7
85.02888	27.0
85.06525	64.3
86.09688	10.1
87.04435	3.2
87.23034	0.7
89.59962	0.7
91.03933	1.4
92.09270	1.3
93.07011	1.0
95.96593	0.7
97.02878	6.7
99.04420	4.8
101.02314	0.8
101.05993	82.6
103.00370	0.8
109.02863	1.5
110.07153	1.3
111.04415	15.7
111.08028	0.9
113.34871	0.6
119.07024	4.9
121.59283	0.7
127.03893	2.7
129.05455	28.7
129.78305	0.8
132.10193	3.5
145.04926	3.0
147.06491	100.0
257.10938	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1491
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.8
55.05499	10.7
57.03173	1.6
57.03426	30.5
57.07064	13.1
58.35363	1.0
59.04980	7.0
59.58646	0.9
61.02906	2.4
61.39709	1.0
64.33228	1.0
65.57006	1.0
67.05489	14.4
69.03416	13.8
69.07048	6.3
71.04979	10.2
71.08619	18.2
73.06532	9.5
76.56178	1.1
79.05475	11.2
81.03391	4.0
81.07037	55.9
81.87198	1.1
83.01294	1.2
83.04958	1.2
83.08588	1.4
85.02365	1.1
85.02887	33.9
85.06526	35.0
85.82647	1.2
86.06847	4.5
86.95786	1.1
87.04456	1.0
90.61998	0.9
91.05447	1.0
91.07542	1.3
91.38503	0.9
92.08703	1.4
95.04951	1.9
97.02861	7.2
99.04393	1.4
99.08066	44.1
103.06931	2.0
103.07559	34.3
105.07005	1.4
109.02887	1.9
109.06502	47.6
109.10129	17.7
110.10463	2.1
117.03354	1.5
117.09108	100.0
119.04925	1.5
123.04350	1.7
127.03857	2.7
127.07529	64.4
127.08479	2.3
127.11140	2.6
128.07872	2.1
135.04417	8.1
139.03902	2.3
145.02832	1.8
145.04982	1.2
145.08580	7.7
145.12206	2.1
146.08862	1.3
147.04372	6.8
163.03859	24.3
163.07414	1.0
163.09621	15.9
163.13295	1.8
166.67787	1.0
222.80019	1.0
272.57388	1.1
325.12549	2.0
326.12161	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	325.139
Annotation	Tetradecyl iodide
Peak:m/z	Relative Intensity
53.03938	0.9
55.01846	0.6
55.05506	0.8
57.03434	5.6
57.03649	0.5
61.02893	3.8
67.05470	1.0
69.03412	9.4
70.06568	1.4
71.04964	3.2
72.08125	6.0
73.02895	1.0
75.04459	0.8
85.02896	0.9
91.05460	1.2
92.08772	1.2
99.04410	1.1
109.10124	6.1
110.10480	1.1
112.51543	0.7
115.08640	1.1
118.06514	1.5
119.04912	0.9
120.08076	4.4
127.11188	1.2
128.11540	0.7
132.06798	1.3
145.07594	9.2
147.04399	3.2
147.09143	98.2
150.87509	0.7
156.55324	0.6
159.09154	3.5
173.07007	1.3
185.10822	0.7
191.08104	100.0
205.55641	0.8
206.26700	0.7
207.11238	1.2
213.10277	0.7
237.22598	0.7
263.14059	2.1
281.14890	28.7
281.17853	1.3
294.77298	0.7
307.12796	8.4
325.13864	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	325.1392
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	2.3
55.01860	2.7
55.05477	0.4
57.03426	3.5
59.04971	0.5
60.82250	0.3
61.02890	1.5
65.86731	0.3
67.05488	2.8
68.05806	0.6
69.03416	17.8
69.07034	1.7
71.01308	1.3
71.04974	5.9
72.08114	0.3
73.02877	0.6
75.04431	0.4
81.02943	0.6
81.03400	16.1
81.07037	0.4
83.08600	2.4
85.02908	3.0
91.05451	0.7
97.02848	0.6
99.04437	5.3
99.93376	0.3
109.10142	12.7
110.07130	0.3
110.10474	6.4
117.05469	0.7
118.06517	6.8
127.11160	5.3
128.11497	3.0
145.07590	10.3
145.12202	7.0
146.12564	3.8
147.09149	9.9
161.07028	0.3
162.07845	1.6
163.08624	0.7
173.07080	16.6
175.08641	7.2
187.08572	0.5
191.08121	100.0
215.11711	0.4
233.09293	0.5
243.11270	0.4
289.11685	0.7
307.09729	0.5
307.12823	17.2
325.13898	18.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.1125
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.4
55.01862	13.2
56.96540	0.8
57.03423	14.9
61.02911	8.0
69.03411	48.2
71.01324	1.1
71.04973	4.3
72.08125	1.0
73.02898	9.5
81.03381	10.3
83.01295	0.7
84.08141	1.3
85.02885	100.0
86.09666	0.7
87.04457	1.0
91.03915	0.8
96.51887	0.6
97.02867	33.9
98.97573	2.6
99.04417	9.0
101.02352	9.3
101.35513	0.6
103.03867	0.9
109.02858	10.0
113.05302	0.6
115.03913	2.7
127.03883	53.7
127.07526	1.2
131.55116	0.7
145.04929	26.4
145.07576	0.7
163.03879	2.1
163.05890	4.4
163.08661	0.9
170.13486	0.6
177.16669	0.6
191.02176	0.8
248.86005	0.7
313.18311	0.7
325.08237	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	325.0728
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81463	0.2
56.96545	0.3
73.60715	0.2
74.58139	0.2
76.90236	0.2
92.09342	0.2
98.97558	7.6
100.97103	0.2
100.98043	0.2
101.00846	0.4
116.98595	4.7
119.01893	7.5
122.97844	0.2
134.99643	3.2
137.02942	2.4
153.00787	0.3
158.99828	0.4
165.99553	0.3
177.00905	17.5
190.71382	0.2
192.98926	0.2
195.01984	0.3
199.03049	0.3
199.68712	0.2
201.00960	1.3
211.00034	0.2
216.98898	1.2
217.04039	4.0
218.03619	1.3
219.01962	31.9
220.02109	0.5
222.97899	0.2
225.00714	2.2
234.99927	5.8
240.98874	0.9
243.01918	6.7
249.63893	0.2
253.01003	2.2
258.99924	9.7
259.02682	0.3
259.99942	0.3
260.04529	3.6
261.02994	100.0
262.03174	1.7
263.03430	0.3
273.98636	0.3
274.61188	0.2
277.00989	12.1
278.01022	0.5
279.00571	6.1
282.99911	13.7
283.99915	0.8
284.04572	2.5
291.99808	0.3
292.55164	0.2
301.00980	31.5
302.01260	1.7
302.05643	13.8
303.05258	0.2
319.01871	2.1
320.02597	0.2
324.02664	0.3
325.01904	0.8
343.02005	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	324.2013
Annotation	Unknow
Peak:m/z	Relative Intensity
52.44282	1.1
54.81298	1.1
55.05499	2.6
55.79678	1.1
56.06817	1.0
56.59183	1.0
57.03431	2.6
57.07053	7.4
61.02909	1.3
67.05458	1.9
69.03406	3.0
69.07053	2.5
71.04977	37.5
73.06527	5.3
75.04443	1.4
81.07056	1.4
83.08574	2.1
85.02898	19.1
87.08061	2.6
92.09359	2.0
97.02853	5.4
102.96857	1.4
109.10155	16.0
113.20667	1.3
124.03029	1.2
126.01048	1.3
127.01495	1.4
127.11165	55.3
133.08850	5.0
145.12216	100.0
148.11165	5.0
149.11542	2.0
182.87848	1.3
201.67618	1.3
267.15378	1.3
310.63388	1.3
329.56775	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2167
Annotation	(-)-Jasmonoyl-L-isoleucine
Peak:m/z	Relative Intensity
54.76980	0.5
55.01853	0.7
55.05493	2.9
65.03919	0.9
67.05497	4.7
67.15762	0.5
69.07054	11.2
71.04984	2.8
73.41016	0.5
79.05472	7.0
81.07036	14.0
83.04959	7.3
86.09693	100.0
91.05466	15.1
93.07027	28.0
95.04948	4.9
95.08576	6.7
97.06505	0.6
98.97589	0.7
105.07016	25.4
107.04924	1.3
107.08578	5.5
109.05823	0.7
109.06506	13.7
109.10111	2.5
111.08063	6.6
117.07009	1.4
119.08576	15.2
121.10084	4.6
123.08057	0.9
123.11644	0.6
128.06194	0.8
128.10692	3.2
129.06940	1.4
131.08536	8.6
132.10187	19.1
133.06430	0.9
133.10100	21.4
135.11563	0.6
137.09634	2.3
140.53349	0.6
141.57129	0.6
142.07779	2.3
143.08537	1.4
144.09351	0.9
145.10097	2.9
147.11665	12.0
149.09564	0.9
149.13266	0.8
151.07574	3.3
151.11162	26.9
157.10107	5.1
159.11671	2.8
165.12682	1.0
175.11113	3.6
177.12645	0.8
185.13194	0.6
193.12227	3.2
198.04932	0.7
200.37817	0.6
213.16356	0.9
222.14780	0.7
260.20020	4.0
278.00363	0.6
278.21121	15.6
306.20624	5.3
324.21658	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	324.2014
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81895	0.6
55.01862	0.6
55.05513	4.8
55.05717	0.5
57.03419	4.1
58.31083	0.5
58.34443	0.6
58.93230	0.5
59.04985	1.3
61.02925	0.8
61.97223	0.5
67.05144	1.1
67.05493	33.3
69.03406	3.8
69.07051	7.5
70.06621	0.7
71.04980	8.2
71.05341	0.9
73.02898	0.7
77.85307	0.6
79.05466	0.9
81.03391	1.4
81.07038	10.2
83.08600	13.8
85.02890	14.7
85.06532	1.4
92.09310	0.9
97.02865	3.9
97.10126	0.8
99.08077	0.9
100.15351	0.6
107.08583	2.6
109.02850	1.0
109.10141	100.0
117.03337	3.0
125.09615	2.8
126.09937	0.9
127.03835	0.9
127.11168	68.6
132.83847	0.7
145.02823	8.2
145.04961	0.9
145.08632	1.4
145.12209	15.3
177.05450	6.7
188.91118	0.6
198.60110	0.6
216.99289	0.7
296.99179	0.6
297.51453	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.2012
Annotation	Unknow
Peak:m/z	Relative Intensity
51.59986	0.5
53.03931	0.7
55.05499	0.9
57.03425	3.7
59.04988	0.9
59.50010	0.6
61.02907	1.3
67.05486	13.9
69.03411	4.7
69.07050	12.2
71.04974	7.2
79.56885	0.6
81.03398	2.2
81.07040	3.2
83.08598	12.9
85.02880	13.0
85.06537	0.8
91.05466	0.6
97.02883	3.7
105.14021	0.6
108.05283	0.6
109.10132	100.0
113.57370	0.6
119.04978	0.6
127.11157	45.4
145.04941	0.8
145.07576	0.9
145.12201	49.7
173.07050	1.2
191.08124	6.9
214.63034	0.7
218.05133	0.8
256.49463	0.7
307.12689	1.3
324.05569	0.6
325.13867	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	324.1649
Annotation	Unknow
Peak:m/z	Relative Intensity
51.25995	0.5
52.38643	0.5
53.03926	0.9
53.09235	0.7
54.81466	0.6
55.01863	0.9
55.05490	2.7
57.03421	4.3
57.07067	1.0
57.43411	0.5
59.04981	0.7
61.02902	3.9
61.03199	0.6
67.05470	2.5
69.03411	8.0
70.06557	0.8
71.04960	3.2
71.08606	4.1
71.45156	0.6
79.05476	2.8
81.03398	3.3
81.07036	27.3
83.08578	1.1
85.02888	31.1
85.06526	100.0
87.04424	0.8
91.03946	1.2
97.02856	8.0
99.08068	18.0
103.03909	1.1
109.02838	3.2
109.06509	24.7
109.10146	8.2
127.03891	3.7
127.07528	29.8
127.08477	1.1
127.11149	1.1
139.01527	0.7
145.04912	4.0
145.08574	84.4
147.04459	0.7
157.12686	0.6
220.03957	0.8
306.10199	0.9
324.11380	1.6
333.64603	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.165
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
53.49524	0.7
55.01857	1.1
55.05497	4.6
57.03422	5.2
59.04981	1.5
61.02910	4.8
69.03418	12.6
71.04976	3.6
71.08618	6.8
73.02898	1.5
78.15697	0.6
79.05476	3.9
80.22845	0.7
81.03394	4.2
81.07039	39.2
82.71503	0.7
83.08584	1.5
85.02888	41.4
85.06528	53.8
87.04456	0.8
89.71723	0.8
91.03937	1.7
97.02858	10.7
99.04433	1.4
99.08068	15.8
109.02841	3.0
109.06498	47.9
109.10131	2.5
119.04882	0.7
127.03884	6.9
127.07527	66.1
130.04749	0.7
145.04929	7.1
145.08575	100.0
156.71518	0.7
163.03845	0.9
163.05980	1.7
190.09656	0.8
276.10712	0.7
293.03958	0.8
307.13806	1.7
324.15533	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96663	0.7
53.03925	3.3
54.39692	0.7
55.01851	1.4
57.03419	9.0
57.07052	3.4
59.04980	1.7
61.02917	6.7
67.05473	3.9
69.03409	22.6
71.01333	2.0
71.04964	7.1
73.02877	1.6
75.04450	1.3
79.05450	1.4
81.03391	6.3
81.06585	1.2
81.07030	17.8
83.08596	0.8
85.02881	13.7
85.06520	12.7
89.02404	0.7
89.60270	0.9
92.08673	1.0
97.02853	4.4
99.04417	6.2
99.08062	29.2
101.02519	0.8
102.03864	0.8
105.03312	0.9
109.06483	21.5
109.10157	5.6
115.03905	0.9
117.09131	1.3
118.06524	2.0
127.03858	1.4
127.07519	83.6
145.04883	1.0
145.07545	3.6
145.08565	38.3
147.09146	3.7
163.03856	3.0
172.07343	0.9
172.08638	26.8
173.07054	4.4
175.07285	1.1
175.08641	3.7
190.09702	100.0
191.08095	48.3
214.09793	1.0
265.25192	0.9
281.61166	1.0
306.14276	1.6
307.12784	17.8
324.11276	4.9
324.15408	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	324.1553
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.9
57.03434	5.6
58.26212	0.5
58.39052	0.5
59.04985	0.6
59.85973	0.4
60.87821	0.4
61.02909	1.8
62.02428	2.7
64.17054	0.5
64.54856	0.5
69.03420	9.1
70.06593	0.5
71.04974	4.4
72.84575	0.4
73.02882	2.2
79.05491	0.5
81.07040	2.1
85.02888	1.1
85.06526	1.0
90.28964	0.5
97.02863	0.8
99.04443	5.5
99.08080	1.8
101.29222	0.4
105.07074	0.5
109.06481	0.7
109.10127	3.1
110.37679	0.4
117.05461	2.8
120.08134	0.5
127.07530	0.7
127.11149	0.6
132.06837	1.0
145.08578	0.6
147.09160	100.0
149.08376	0.8
150.08684	0.9
159.09186	0.8
161.10747	3.2
162.05478	5.7
164.10675	6.0
165.11008	5.4
189.10207	7.5
263.13956	1.2
281.14868	8.4
307.12711	0.6
318.58868	0.6
324.15494	79.7
325.15784	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.8
55.01868	1.5
55.05503	10.2
57.03422	1.8
58.06584	0.9
60.04512	4.8
60.48552	0.8
61.02914	4.0
65.49557	0.8
69.03416	10.4
69.95010	0.8
70.06570	4.3
71.04975	12.6
72.08138	1.3
72.61987	0.8
73.02904	1.6
73.06154	1.6
73.06537	29.2
79.05466	1.0
81.03401	7.8
81.06618	1.0
81.07020	7.0
83.04955	4.3
84.04485	1.8
84.08124	2.0
85.02891	35.2
85.06531	4.8
86.02396	6.1
86.03226	1.1
96.04453	5.9
97.02258	1.6
97.02873	39.2
97.06524	0.9
98.06041	4.9
99.04434	25.0
101.05989	0.9
103.03918	5.0
105.18921	0.8
109.02882	5.9
109.06489	3.4
110.02397	1.6
112.07613	1.4
116.07075	31.2
117.05476	4.6
117.07413	1.0
123.04431	0.9
126.05489	2.1
127.03883	13.1
127.07537	9.4
140.07056	1.1
144.06535	100.0
144.10191	2.1
145.04921	12.6
145.07675	1.3
145.08646	4.0
152.03470	1.3
158.08105	4.4
162.05498	28.5
162.07576	36.4
162.11227	4.6
163.08626	1.7
186.06146	1.2
186.07573	8.0
240.08623	1.1
252.08582	1.6
261.80624	0.9
306.11899	1.1
324.10889	1.5
325.13831	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1049
Annotation	Tazarotenic acid
Peak:m/z	Relative Intensity
52.75419	0.7
55.05502	1.1
57.03420	1.1
57.31946	0.6
59.04983	1.8
67.05502	1.1
69.03413	8.0
71.04945	2.7
79.05453	0.8
81.07034	10.8
83.08604	0.7
85.02881	1.7
85.06560	0.9
89.06059	0.7
99.08041	4.3
107.56860	0.8
109.06506	4.8
127.07518	15.8
145.08569	4.9
162.05460	35.4
172.08638	1.9
189.12405	0.9
190.09731	6.7
191.08162	3.9
211.87927	0.8
251.55547	0.9
252.42075	0.8
307.12970	1.0
324.10471	100.0
324.15250	6.7
336.53360	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	324.1286
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.9
55.01845	1.4
55.05507	9.0
56.05038	1.1
56.48412	0.6
56.96537	0.8
57.03426	1.7
58.06588	1.1
60.04516	3.6
60.51287	0.7
61.02910	3.2
62.06080	1.2
62.26276	0.6
69.03415	10.2
69.07059	0.9
70.06563	7.7
71.04979	14.1
72.08130	1.8
73.02900	0.8
73.06537	27.2
76.07630	1.5
79.05489	0.9
81.03394	7.1
81.07029	6.6
83.04945	5.7
84.04501	3.3
84.08128	3.2
85.02888	40.6
85.06525	5.7
86.02428	5.4
86.03232	0.8
86.09701	1.5
92.08749	0.9
96.04491	6.1
97.02876	38.3
97.06513	1.6
98.06038	4.9
98.06821	0.8
99.04433	24.5
103.03938	4.7
106.00020	0.7
109.02863	7.2
109.06519	3.9
112.05055	1.0
112.07607	1.4
116.07070	34.4
117.05503	4.5
121.06487	1.8
125.05876	1.0
126.05524	5.3
127.03900	14.8
127.07535	12.2
132.10141	0.9
140.07034	1.7
143.07047	1.3
144.06537	100.0
144.10205	3.5
145.04926	8.1
145.07565	3.8
145.08615	6.5
152.03407	1.6
158.08109	3.6
160.07790	0.8
162.05501	16.2
162.07570	38.5
162.11267	4.2
163.08688	2.8
168.45013	0.8
186.07500	7.0
204.08563	0.9
210.07518	0.8
214.46252	0.7
216.75705	0.8
229.15471	1.0
240.08781	1.2
240.56265	0.8
252.08755	1.5
306.11856	1.0
325.13791	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.294
Annotation	Unknow
Peak:m/z	Relative Intensity
50.48360	0.7
53.14025	0.7
55.01852	1.0
55.05503	50.4
57.03404	1.0
57.07066	56.2
57.85625	0.9
58.11636	0.7
59.05001	0.9
67.05486	16.6
69.07053	100.0
69.94780	0.9
71.04981	1.8
71.08251	1.6
71.08613	31.6
73.06535	1.0
79.01776	0.8
79.05476	8.5
81.07037	44.3
83.04974	2.2
83.08601	59.2
85.06553	10.9
85.10170	19.3
91.05444	9.1
93.07022	17.6
95.08583	46.3
97.06506	11.6
97.10147	32.0
101.06006	1.2
105.07016	15.0
107.08578	20.4
107.74598	1.2
109.06492	3.6
109.10139	30.5
111.08057	6.2
111.11702	15.2
115.07538	6.1
119.08552	18.2
121.10123	15.0
123.08030	5.3
123.11684	12.9
125.09573	1.8
125.13224	4.4
127.07523	3.5
128.54491	1.0
129.09125	1.8
132.67029	0.9
133.10117	17.5
135.11684	10.6
137.09590	6.5
137.13225	7.6
139.14801	1.9
141.09096	1.8
143.10649	1.4
145.82228	1.0
147.11674	14.2
149.13220	6.3
151.11179	5.9
151.14597	1.2
151.48930	0.9
153.02994	0.9
153.12776	1.3
155.10573	1.3
157.12161	0.9
161.13239	12.6
163.14687	1.1
165.12715	10.1
167.14293	1.6
169.12233	2.1
172.27164	0.9
175.14804	5.0
176.04982	1.0
177.16348	1.1
179.14244	11.1
181.15854	1.1
183.13782	3.6
185.15408	0.9
193.15840	1.9
197.15317	3.5
203.17960	1.3
205.19495	1.0
207.17532	1.5
221.18884	1.1
226.53824	1.1
231.20984	1.7
235.20604	1.4
249.21971	1.2
263.27261	5.0
267.23270	1.1
287.27219	5.6
293.21887	1.0
305.28323	5.6
323.29291	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2553
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96534	1.2
59.48205	1.1
60.00859	1.1
65.93593	1.1
68.42390	1.2
98.97565	14.1
116.98633	12.7
134.99658	11.6
135.08028	3.0
231.79829	1.6
258.99774	2.4
277.00769	15.0
291.48416	1.2
323.25513	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.2214
Annotation	Rapanone
Peak:m/z	Relative Intensity
55.01859	27.4
55.05492	23.3
55.41852	5.2
57.03199	5.0
57.03431	61.8
62.15169	4.7
65.03928	5.0
67.05491	74.3
69.07050	12.4
71.04965	6.0
71.22235	4.5
79.05480	53.3
81.07034	63.0
81.09925	5.3
83.04953	22.8
85.06528	58.3
91.05460	31.5
93.07018	30.5
95.04948	76.5
95.08578	20.0
98.97571	64.5
105.07021	22.8
107.04953	7.9
107.08561	22.9
109.06509	50.4
111.04432	30.2
111.08042	7.6
113.05981	100.0
116.98589	61.7
117.07001	21.3
118.84097	6.9
119.08562	23.8
121.06487	7.9
121.10138	10.9
131.08510	8.2
131.11020	4.4
134.99619	41.7
135.08044	34.4
143.08563	6.3
145.10086	9.2
149.09575	10.7
153.12634	6.1
163.11166	11.1
181.12193	8.7
191.08684	5.8
191.10533	6.2
250.46114	5.7
258.99774	27.6
273.18491	34.0
277.00723	65.5
291.19412	65.3
311.13254	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	323.2212
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	3.8
55.01854	21.7
55.05504	50.5
55.82228	4.0
57.03421	4.9
57.07054	4.4
67.05491	94.7
69.03414	5.9
69.07048	23.8
79.05473	61.6
81.06590	6.9
81.07035	100.0
83.04955	21.2
83.08609	4.5
85.06506	14.8
91.05463	69.7
93.07022	66.4
95.04935	16.7
95.08585	29.4
97.06489	5.0
97.75618	3.7
103.01541	4.2
105.07012	63.2
107.04940	17.1
107.08592	55.2
109.06477	17.9
109.10136	63.1
111.04414	5.5
111.08082	6.9
117.07021	6.8
117.61520	4.1
119.08531	20.5
121.06455	16.7
121.10130	9.0
123.11681	18.5
131.04863	5.4
131.08513	18.4
133.06476	7.8
133.10089	82.1
134.99585	5.9
135.07927	5.6
135.11696	4.4
143.08545	5.1
145.10110	18.6
149.09589	4.6
151.11125	50.6
157.10107	4.6
159.11626	6.1
161.09575	6.9
175.11215	5.3
179.10526	4.1
183.13702	9.1
220.82013	4.2
245.19049	5.4
273.18411	19.7
277.00845	4.6
291.19391	29.6
305.21030	10.1
323.22067	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	323.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.7
55.05505	47.8
56.23583	1.7
57.03423	2.9
57.07056	2.3
67.05498	28.3
69.03407	9.7
69.07055	30.9
79.05479	25.7
81.03410	3.2
81.07043	31.4
81.73642	2.0
83.04958	4.7
83.08604	21.3
91.05456	18.1
92.08650	8.4
92.64222	1.9
93.07021	24.9
95.04967	16.6
95.08562	13.3
97.10143	22.5
98.97552	8.9
105.07007	14.8
107.04935	5.2
107.08559	21.0
109.10123	5.3
116.98596	8.9
117.07004	2.7
119.08583	9.0
121.10104	3.2
123.08049	2.7
125.09563	16.4
131.08527	5.4
133.06441	2.9
133.10158	3.6
134.99548	3.7
135.08055	3.6
145.10147	2.5
147.08040	4.7
149.13118	2.5
194.42453	2.2
208.50301	2.5
223.13260	14.2
259.57681	2.7
273.18460	9.0
277.00836	8.9
290.16171	2.6
291.19507	100.0
300.73041	2.2
305.20996	9.4
336.12363	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	323.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00292	1.5
53.03941	2.0
55.01863	7.1
55.05232	1.4
55.05504	39.0
57.03424	1.3
57.58810	0.6
62.06078	12.6
67.05491	25.8
69.03417	7.5
69.07056	25.3
70.71323	0.7
71.04955	2.6
79.05475	26.5
81.03405	5.0
81.07038	21.5
83.04964	3.5
83.08604	14.1
91.05447	15.5
92.09362	2.0
93.07021	18.2
95.04951	8.4
95.08581	10.8
97.02876	5.6
97.06477	1.4
97.10143	22.0
98.97557	3.6
105.07022	14.5
107.04939	5.6
107.08569	15.6
109.06505	1.5
109.10139	4.8
116.98628	4.0
117.06996	6.7
119.04908	1.1
119.08572	10.9
121.06504	2.1
121.10127	4.6
123.08038	3.4
125.09603	14.7
129.06995	1.8
131.08569	9.6
133.06462	3.3
133.10109	3.8
134.07271	1.1
135.08049	4.6
135.11656	1.4
141.07072	0.8
143.08569	1.7
145.10095	6.3
147.08041	5.0
147.11685	1.7
149.09612	1.5
157.10072	1.1
159.11688	4.0
161.09605	1.1
163.11203	1.0
171.11600	1.0
203.12762	1.8
204.87672	1.0
223.13208	18.8
237.14870	3.9
246.53656	0.9
255.17349	0.9
266.22803	0.9
273.18298	5.9
277.00735	1.2
291.19470	100.0
305.21091	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	323.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
56.22506	3.2
65.45572	3.6
70.06587	4.0
74.60201	3.6
75.41009	3.6
94.72215	3.7
94.82544	3.8
112.81762	4.2
160.09631	7.2
171.83328	3.6
206.15981	4.1
323.07355	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	17.2
55.05494	2.6
61.02892	1.4
61.30750	1.4
65.04337	1.4
67.05476	1.9
69.03429	1.5
69.25086	1.4
71.01340	1.8
71.04961	1.9
79.05463	4.0
81.07033	3.7
82.89946	1.6
83.01344	1.9
85.07459	1.5
86.55751	1.5
91.05449	17.5
92.09291	2.5
93.07014	2.1
94.67831	1.7
95.04936	2.1
97.02874	2.1
97.10139	2.9
98.97538	1.6
103.05444	6.3
105.03358	21.3
105.07021	21.4
107.04200	2.2
107.04935	62.2
107.05614	2.7
107.08601	1.8
110.39297	1.5
115.05429	6.9
117.07024	2.2
117.22042	1.5
119.04917	24.8
121.02864	7.8
121.06470	2.5
122.36760	1.6
123.04422	3.6
131.04907	41.6
133.02831	55.8
133.06459	61.8
135.04390	15.8
145.06491	6.3
147.04395	59.3
149.05965	16.6
159.04405	11.1
161.02321	28.5
161.05952	82.9
164.10699	2.5
165.37515	1.4
171.04381	20.3
171.05453	3.2
173.05957	3.7
175.03915	2.6
177.05394	6.0
179.03366	9.9
183.61757	1.4
187.03874	27.1
189.03737	3.4
189.05441	100.0
194.71465	1.5
199.03879	32.0
205.04921	6.5
217.04930	77.5
262.27539	1.7
263.05447	73.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1954
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32146	1.8
73.08271	2.1
93.07060	2.2
122.04575	2.2
132.95810	4.2
141.55319	2.2
167.04779	2.0
254.24498	2.1
268.00070	2.1
323.19519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	323.1963
Annotation	Unknow
Peak:m/z	Relative Intensity
57.07070	0.4
62.06054	0.3
62.81050	0.3
63.13125	0.3
69.07037	1.6
70.06581	0.3
74.02087	0.3
74.02423	6.0
76.03983	0.5
79.05468	0.4
81.07011	0.4
83.04941	0.3
86.09683	4.5
88.03955	0.6
91.05460	3.2
92.09172	0.4
95.08602	0.3
103.05453	6.3
104.06236	4.0
105.07009	9.6
105.11775	0.3
111.15532	0.4
112.07580	0.8
126.35459	0.4
130.08600	1.4
131.04890	5.8
132.08034	1.2
132.10176	0.8
133.08839	15.1
136.09296	0.3
148.11186	100.0
189.07851	1.3
192.10149	8.1
207.08876	0.6
225.37619	0.3
276.92175	0.3
300.28857	0.4
306.00369	0.3
323.13034	0.4
323.19583	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.05496	2.5
55.54556	0.6
65.03909	3.5
67.05489	5.5
68.39143	0.6
69.03408	1.4
79.05470	66.2
81.03379	0.7
81.07030	100.0
85.02869	4.8
91.04877	1.4
91.05450	39.2
93.07018	0.7
95.04938	2.4
95.08585	5.1
97.02814	0.6
97.06518	0.7
97.10105	0.7
105.07003	21.8
105.32409	0.7
107.04940	0.8
107.08569	80.5
109.06490	14.6
119.06061	5.0
125.06023	0.6
125.09599	20.6
142.06526	1.3
143.10651	1.4
145.04958	0.6
160.07491	1.5
164.10661	0.9
275.78244	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01862	1.3
55.05505	6.9
57.03419	2.1
57.07065	0.9
59.04995	0.9
61.02917	0.9
67.05479	0.9
67.98685	0.5
69.03425	6.6
69.07044	1.3
70.06563	0.8
79.05470	4.9
80.05174	0.5
81.03413	0.7
81.07050	5.8
83.04967	6.2
83.08611	11.4
85.02892	13.4
85.06526	60.9
87.04443	5.2
90.23911	0.6
91.05428	0.6
92.09337	0.6
94.01599	0.6
95.08575	0.7
97.02865	3.3
97.06524	1.1
97.10133	5.1
99.04440	0.9
99.08071	13.1
105.06969	0.8
107.08569	14.9
109.02869	2.0
109.06536	0.5
120.23734	0.6
123.04423	0.6
125.09608	100.0
127.03895	1.4
141.64314	0.5
143.10660	21.9
143.11723	1.1
183.49519	0.6
229.10654	0.7
273.40833	0.7
287.14828	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	322.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.8
55.01842	0.8
55.05501	2.9
56.40611	0.6
57.03424	2.8
60.21127	0.6
61.02902	3.5
66.53108	0.6
67.05484	1.5
69.03413	7.7
69.07054	1.0
71.04953	1.2
73.02887	1.2
78.50074	0.7
79.05463	14.1
81.03397	3.3
81.07034	7.0
83.04945	7.3
83.08607	3.5
85.02876	20.4
85.06523	4.8
87.04443	1.2
91.03935	0.7
91.05443	6.1
93.03400	0.9
95.08582	2.7
97.02852	6.9
97.06524	2.8
98.97596	1.2
99.04403	1.2
105.07001	3.6
107.08563	75.9
109.02837	1.1
109.06486	1.3
125.05956	8.0
125.09592	100.0
127.03904	3.3
135.04402	1.8
139.03902	1.0
140.04153	1.0
142.06500	4.5
143.07028	4.5
143.10669	2.8
145.04910	1.4
147.04399	0.9
148.14799	0.8
149.02316	2.8
150.02696	1.2
153.01805	3.6
154.02118	1.0
160.07530	54.1
163.03874	6.6
200.60115	0.7
212.82471	0.7
246.07690	0.7
248.06473	1.3
276.05771	1.0
322.12552	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	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.9
55.01857	1.4
55.05504	18.6
57.03420	4.4
59.04980	1.2
61.02926	1.7
67.05497	8.3
69.03415	6.0
69.07056	1.5
69.45909	0.9
70.06575	1.0
79.05474	48.5
81.07039	100.0
83.04958	7.0
83.08607	6.1
85.02892	31.7
85.06522	2.4
86.03229	1.8
91.05461	13.9
95.04943	1.6
95.08574	6.9
96.08923	5.0
96.62133	1.1
96.87374	1.1
97.02879	5.6
97.10146	5.8
105.07006	8.9
107.08575	76.3
109.06504	4.2
109.10146	1.5
111.08040	1.5
113.09653	2.2
116.70946	1.1
119.06082	1.6
119.56685	1.3
124.08462	1.1
125.09609	80.0
127.03857	2.3
141.09071	6.4
142.09439	1.9
143.10657	20.8
143.79404	1.1
145.04942	1.9
159.10065	1.5
160.10472	1.3
203.34399	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1492
Annotation	Unknow
Peak:m/z	Relative Intensity
50.65997	3.0
55.01867	6.0
55.05499	8.9
57.03426	8.0
67.05494	5.5
69.03421	10.0
69.07050	9.9
70.57870	3.2
71.01312	4.0
75.16646	3.8
76.66817	4.0
78.18170	3.6
79.05473	60.5
80.37463	4.0
81.07040	96.4
81.89887	3.6
83.04961	8.3
84.19114	4.2
85.02901	16.1
91.05475	27.4
93.07033	16.5
95.01317	24.6
95.04968	22.5
95.08614	7.8
97.02891	5.0
97.06525	34.2
100.52878	4.2
105.07018	6.5
107.04944	23.9
107.08620	7.0
109.06507	38.1
109.92366	4.0
111.08045	5.5
113.02339	6.9
117.06997	6.7
119.08537	16.4
121.06475	4.7
123.04268	4.0
123.08044	4.1
129.07011	3.9
131.08514	5.5
135.08023	6.4
137.05968	8.8
139.03911	7.6
141.01848	6.6
147.08005	9.6
155.07024	5.3
163.07559	14.8
165.05467	4.9
165.09026	33.4
181.08551	4.2
183.10092	4.5
193.08600	20.9
199.09769	6.2
209.08078	9.0
211.09647	7.2
236.91034	4.0
238.86354	4.3
255.08583	100.0
290.12375	5.5
310.27811	5.0
332.09067	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	322.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	8.6
56.96558	0.7
57.03408	1.1
67.05478	1.0
69.03404	3.7
69.07053	1.3
70.06552	3.3
71.04970	3.5
72.08132	0.8
79.05470	6.0
81.03391	0.8
81.07030	5.4
83.04949	5.0
83.08604	7.3
85.02878	5.3
85.06506	1.0
91.05457	2.9
95.08590	0.8
97.02863	0.8
97.06511	0.8
97.10135	8.6
98.97578	0.7
103.95578	0.6
105.07008	2.2
107.04931	0.7
107.08570	69.4
109.10090	0.7
125.09599	100.0
135.04376	2.4
143.10661	12.5
145.02774	1.1
163.03860	6.3
231.10188	0.6
249.52208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	0.6
55.02395	0.4
55.05497	3.1
65.03924	2.6
67.05499	6.1
69.03409	0.6
69.07048	0.5
69.26443	0.5
76.56322	0.4
79.05473	60.2
81.07038	100.0
85.02884	3.7
91.05463	40.5
92.06239	0.6
93.07005	0.7
95.04939	2.5
95.08588	4.3
97.10168	0.6
97.71854	0.5
105.06458	0.4
105.07009	21.3
107.08575	76.2
109.06493	12.3
112.11174	0.5
119.06032	5.3
125.09605	16.8
127.47438	0.4
137.48752	0.5
143.10629	0.9
167.06963	0.6
255.08629	0.8
274.06317	0.5
277.44849	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	322.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	2.9
55.01866	18.7
55.05502	13.1
57.03434	15.3
64.58657	1.9
67.05505	16.0
69.03405	17.5
69.07047	16.9
71.01343	3.5
71.04961	2.3
79.05476	60.2
81.03423	3.3
81.07043	88.5
82.96120	1.8
83.04979	9.8
85.02889	21.5
91.05468	26.1
92.09257	3.1
92.82751	1.9
93.03392	2.2
93.07016	24.3
95.01299	27.8
95.04929	17.8
95.08579	3.6
97.02881	2.0
97.06518	34.6
101.02343	3.3
103.05466	2.8
105.07023	4.6
107.04958	10.6
107.08585	4.6
109.02869	2.6
109.06508	38.5
109.10118	2.5
111.04433	3.0
113.02367	5.0
117.07004	10.1
119.04922	7.7
119.08559	20.7
121.06480	11.8
123.04440	2.6
123.08092	4.8
125.05966	9.0
129.06970	3.6
131.08559	3.9
133.06416	2.7
135.04324	3.1
135.08049	8.7
136.67572	2.1
137.05959	11.1
139.03897	14.7
139.07603	2.6
141.01842	5.2
141.05478	2.3
145.06491	3.5
147.08025	15.3
151.07529	2.9
155.06967	2.7
159.00818	2.1
159.03012	2.5
159.12970	2.0
161.05943	2.9
163.07463	19.5
165.05269	3.4
165.09061	35.9
167.07132	2.8
175.07535	4.8
181.08562	9.3
183.10178	10.3
191.07030	4.4
193.08560	20.5
197.04558	4.4
199.09650	13.8
209.08037	10.5
211.09596	11.1
227.09146	9.2
237.07646	7.9
241.94403	2.2
247.01218	2.5
255.08585	100.0
269.59772	2.0
273.09805	7.6
287.11139	3.3
291.59723	2.1
296.18906	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.80051	0.1
54.81497	0.1
54.93929	0.1
69.07057	0.3
79.05457	0.2
81.07027	0.2
91.05449	0.6
91.06019	0.1
93.07049	0.2
95.04986	0.2
95.08533	0.2
105.07008	3.5
105.21975	0.2
119.08591	0.2
121.10101	0.2
123.04436	0.2
132.08049	0.6
133.08842	10.5
146.09567	0.2
148.11183	100.0
199.40076	0.2
321.16968	0.2
321.21637	6.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2785
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38834	5.0
55.05502	42.9
55.25702	5.6
57.07060	29.1
66.50431	5.6
67.05494	32.2
67.75285	5.2
69.07067	72.1
69.30079	5.7
71.08613	14.7
71.94046	5.6
74.54044	5.6
75.66998	5.5
79.05459	33.4
81.07048	55.5
83.08601	38.4
90.79414	6.4
91.05427	11.1
93.07034	100.0
95.04940	9.6
95.08586	46.6
97.06487	11.6
97.10155	10.6
104.99278	9.8
107.08578	67.1
109.10146	28.5
111.11687	8.0
112.08097	6.0
121.10138	55.8
135.11649	14.1
139.07536	41.8
149.13162	6.8
163.11172	7.3
191.95961	7.0
239.08852	30.6
275.15152	12.6
313.10721	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	322.0021
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14494	0.3
54.81807	0.4
56.58913	0.3
56.96542	1.9
57.03411	0.4
72.08152	0.5
72.52557	0.4
74.70119	0.4
92.09286	0.6
98.97564	2.2
98.98430	2.6
101.00839	4.1
102.00938	1.1
103.42164	0.5
110.97545	0.4
113.73523	0.4
119.01897	11.1
120.02000	4.6
132.02005	0.5
137.02888	0.6
138.03052	0.5
141.48981	0.4
143.01877	2.3
144.02019	0.9
145.03444	5.2
146.03563	2.4
146.99579	0.4
154.94124	0.7
155.32076	0.5
160.94637	0.4
161.02914	7.6
162.03043	4.0
166.43398	0.4
171.01326	0.9
172.01492	0.7
174.03084	0.5
189.02351	6.2
190.02484	4.4
193.95683	0.5
208.98419	0.5
209.95564	0.6
214.93219	0.6
214.96484	22.3
215.77333	0.4
219.03568	0.9
220.95320	0.5
221.49374	0.5
229.92453	1.0
232.94005	1.6
232.97516	0.6
233.04991	1.6
234.05177	0.8
238.96410	2.3
244.92712	1.6
245.92578	0.7
253.93065	2.0
254.93079	0.7
256.97510	100.0
257.97629	1.5
258.14111	0.4
261.04449	1.8
261.92096	0.8
262.04733	1.8
274.95273	3.7
276.39792	0.5
277.42038	0.9
277.91904	2.3
279.98904	0.6
280.97260	2.0
286.42596	0.5
286.92624	0.6
298.98575	50.3
322.00220	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.2168
Annotation	Unknow
Peak:m/z	Relative Intensity
50.85638	0.8
55.05505	1.2
57.07059	5.8
58.06589	14.1
59.07369	2.1
60.07866	1.3
60.08149	32.6
67.05480	1.5
69.03399	3.9
69.07057	9.9
74.02418	47.5
79.05457	3.3
81.07025	7.1
83.04948	3.4
86.09686	19.6
88.03975	1.3
91.05460	3.5
93.06999	2.0
95.04945	1.1
95.08581	4.2
97.06493	1.5
103.05448	26.1
105.07013	34.6
107.08606	2.0
109.10133	1.0
112.07595	7.4
119.08539	1.8
126.45820	0.8
130.08598	20.3
131.04901	8.8
132.08058	1.0
132.10176	5.5
134.73340	0.8
143.08617	1.1
147.06744	1.1
155.43930	0.9
159.11684	0.9
174.12735	1.5
188.14211	3.6
216.13808	4.6
234.14856	4.8
262.14267	2.0
275.21155	2.0
305.94659	1.0
321.21643	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1153
Annotation	Unknow
Peak:m/z	Relative Intensity
84.08115	2.0
114.37704	0.3
130.08611	1.7
133.98416	0.3
159.06290	0.3
215.47128	0.4
253.47531	0.3
321.11499	100.0
338.11179	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.1541
Annotation	Rengyoside B
Peak:m/z	Relative Intensity
55.01857	1.1
55.05503	10.5
57.03417	4.9
57.07070	1.0
61.02895	1.1
65.25793	0.7
65.40859	0.7
67.05496	10.0
69.03413	1.6
69.07053	9.4
70.06583	1.4
71.04971	3.0
74.15185	0.7
77.99599	0.7
79.05465	1.4
81.03391	1.2
81.07041	11.1
83.08600	20.4
85.02886	100.0
88.37697	0.7
90.77126	0.8
91.64630	0.7
93.07019	1.6
95.08580	70.7
97.02907	1.2
97.06499	1.2
99.04426	13.5
99.08067	9.0
109.02826	1.0
111.08091	7.1
113.09625	17.6
123.08039	21.3
123.12584	0.7
129.09088	5.1
141.09077	64.0
153.01868	1.4
159.10132	23.8
179.07689	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	321.0603
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
51.25557	1.9
55.01867	2.4
55.05506	11.1
56.05030	2.0
57.03439	2.8
57.07067	3.4
65.03916	3.8
67.01862	3.0
67.05508	22.2
69.03406	4.7
69.07047	5.6
71.04974	14.7
79.05476	5.8
81.03405	2.6
81.07043	75.4
83.08610	3.8
84.04470	9.7
84.08119	12.5
85.02916	16.7
85.06530	9.2
86.09692	3.7
91.05433	4.2
93.07017	13.5
95.04951	4.3
95.08594	14.8
96.23975	2.2
97.02891	3.0
98.97539	3.3
105.07017	9.2
107.08573	5.0
109.02863	5.3
109.06494	3.7
109.10155	2.9
111.04435	13.8
112.08607	3.0
116.98618	4.0
121.02843	21.3
123.04386	3.8
123.08073	5.9
123.11663	31.9
124.11208	2.9
127.03879	4.3
130.30217	2.4
139.03891	57.0
141.12744	11.6
145.06506	3.6
149.02319	74.7
150.03053	4.3
153.01816	100.0
155.04900	4.3
167.03409	10.7
173.05984	9.1
183.04366	4.9
195.02895	14.3
201.05457	15.0
229.04887	25.9
229.08609	4.6
247.06003	29.3
257.04419	4.2
275.05408	32.1
303.05005	17.0
306.75171	2.4
321.05954	4.0
321.14066	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	321.0602
Annotation	2,2',3-Trihydroxy-3'-methoxy-5,5'-dicarboxybiphenyl
Peak:m/z	Relative Intensity
50.77309	0.3
53.00294	0.6
53.03952	0.4
54.54490	0.3
55.01865	0.7
55.05481	0.3
58.41245	0.3
65.03926	6.4
67.01842	2.6
67.05485	0.3
68.99776	5.5
69.03411	2.0
78.71079	0.3
79.01862	0.4
80.77383	0.3
81.03381	0.8
81.07033	1.3
83.04964	0.4
84.04501	2.0
84.08128	5.3
85.02908	0.4
92.64387	0.3
93.03396	4.4
95.01273	0.4
95.08566	0.4
97.02857	1.5
103.05448	0.7
105.03411	0.6
107.04924	0.5
109.02871	4.9
111.00772	1.4
111.03645	0.6
111.04421	14.7
117.06992	1.7
121.02850	19.5
121.03782	0.7
123.04384	2.3
123.11652	0.4
125.02325	1.3
127.03896	2.6
131.04916	1.5
133.02849	1.6
135.04434	0.5
137.02272	0.4
139.03879	62.9
145.06465	4.9
149.02322	70.3
150.03114	8.4
151.03899	3.6
153.01805	100.0
154.02367	0.4
155.04880	3.5
155.05966	0.9
159.04381	1.7
161.05925	0.4
163.03876	4.4
165.01817	0.6
167.03366	14.4
173.05949	8.2
177.01808	2.0
177.05421	0.5
179.03374	1.2
183.04393	6.8
185.05995	0.4
187.03879	1.9
189.05611	0.4
191.03374	3.5
193.05054	0.3
195.02859	14.6
201.05434	13.8
205.04974	2.1
211.03839	0.5
213.05525	0.5
219.02847	7.0
219.06299	0.3
229.04918	28.3
229.15474	1.4
233.04356	0.4
247.05959	31.3
257.04379	8.2
257.18561	1.2
261.03946	0.7
274.04764	2.4
275.05435	39.3
285.03812	0.7
289.03455	0.4
303.04913	14.2
321.05997	12.4
321.18213	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.1497
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	0.9
53.14498	0.6
55.01856	0.6
57.03420	2.8
57.49160	0.6
61.02912	2.8
65.03927	0.8
67.05489	23.7
69.03416	18.9
69.07053	37.3
71.04978	1.4
73.02872	1.0
79.46973	0.7
81.03417	5.8
85.02888	41.6
90.79787	0.6
94.06522	1.1
95.04945	45.9
97.02252	1.3
97.02866	27.8
99.04421	2.9
103.03918	3.5
109.02876	7.7
112.07587	39.6
113.05991	4.2
122.06004	1.0
123.04406	1.2
124.07583	2.5
127.03895	5.9
136.07556	1.7
140.07047	100.0
145.04933	4.6
154.08638	7.5
172.13065	0.7
173.10728	0.7
178.08592	2.7
182.08086	42.3
182.61186	0.7
194.07784	0.7
206.08076	11.6
248.09171	6.3
253.76706	0.8
284.11069	1.2
302.12219	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	319.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.69017	0.7
53.03936	1.8
55.01863	2.0
55.05503	6.2
57.03427	14.1
58.02939	0.9
61.02908	4.3
61.88120	0.8
67.05488	20.5
69.03407	14.4
69.07047	6.7
71.04962	1.8
72.95368	0.8
73.02910	1.7
75.16873	0.7
79.05473	2.1
81.03397	5.5
81.03829	0.9
81.07045	7.2
83.01311	1.6
83.04971	9.3
83.08594	3.6
84.74966	0.8
85.02886	37.5
85.06528	11.6
86.09706	1.7
87.04430	1.1
91.03864	0.8
91.05442	3.1
93.07016	18.9
95.04942	34.7
95.08586	5.1
97.02870	21.4
97.06493	5.6
98.18539	0.8
101.02353	16.1
103.03908	1.3
109.02859	6.6
109.06484	3.5
111.08057	84.6
112.07574	10.4
113.05988	15.7
113.09641	1.9
121.10107	1.4
127.03892	4.8
127.07519	14.3
136.07544	1.0
139.07513	89.8
139.11156	5.0
140.07030	32.2
145.04944	1.6
152.06940	0.9
154.08669	3.7
156.10167	4.6
157.08565	100.0
178.08572	1.1
182.08078	25.8
192.87363	0.9
206.08157	6.0
219.88875	0.9
248.09213	3.8
302.12183	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	319.1173
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
50.85676	0.2
53.03918	0.3
55.01855	1.7
55.05492	0.4
64.34032	0.2
65.03915	2.4
67.01843	0.4
67.05489	1.3
69.03404	0.4
69.07072	0.5
76.83777	0.2
79.05470	2.7
81.07024	1.7
83.04942	0.4
85.02876	0.6
88.96830	0.2
91.05458	4.5
93.03384	3.2
93.07020	0.5
94.01228	0.3
94.04163	2.2
95.04941	1.5
95.08574	0.5
97.06517	2.9
105.06985	1.6
107.04927	1.2
107.08591	0.4
109.06493	0.5
110.03632	0.4
111.04424	1.0
115.05408	0.6
119.04919	7.6
119.08526	0.4
121.02843	2.3
121.06493	1.0
121.10101	0.5
122.03617	3.3
122.34013	0.2
123.04424	0.4
125.05967	8.3
131.04865	0.3
133.06470	1.1
133.10107	0.6
135.08080	0.3
137.05949	55.0
139.03891	0.6
141.05414	1.1
143.04884	2.0
147.04384	34.4
147.11676	0.3
149.05960	0.6
151.03885	1.0
151.07419	0.5
153.05440	100.0
154.05791	0.3
160.05153	1.0
161.05962	2.9
165.05437	1.5
167.07082	1.8
169.04890	1.4
175.07518	3.3
177.05391	1.4
179.07002	5.3
189.05493	0.4
191.07031	0.3
193.08548	0.6
195.06548	1.1
216.92827	0.3
221.08212	0.4
231.09999	0.4
246.90698	0.2
249.87195	0.3
253.06480	0.3
269.07776	0.3
301.10721	0.3
319.11642	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	319.1173
Annotation	Catechin 7,4'-dimethyl ether
Peak:m/z	Relative Intensity
52.82930	0.4
54.07347	0.4
55.01847	0.7
65.03911	2.4
67.01872	0.6
69.03409	0.6
70.11031	0.4
70.93642	0.4
79.05473	1.1
81.07026	0.6
85.02888	0.8
91.05454	4.7
93.03378	3.4
94.04147	2.9
95.04961	0.7
97.06469	0.9
107.04932	0.7
111.04386	0.6
115.05388	0.5
119.04911	8.2
121.02842	3.1
121.10076	0.5
122.03561	3.4
125.05959	9.3
133.06441	1.9
137.05948	56.6
143.04893	1.1
147.04388	40.0
151.03851	0.6
153.05435	100.0
160.05200	0.6
161.05965	2.0
165.05415	0.9
167.06871	0.9
175.07501	1.1
177.05455	1.0
177.41376	0.5
179.06989	5.6
183.06398	0.9
193.08659	0.9
195.06544	1.1
270.96738	0.5
319.11646	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	319.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79382	0.8
55.29579	0.8
55.85664	0.6
60.69754	0.7
67.05482	0.9
81.07052	1.3
91.05459	2.1
93.07024	1.2
97.79536	0.8
103.05459	1.0
105.06983	1.4
107.04874	1.0
107.08593	1.4
115.05452	0.9
116.78513	0.8
128.06177	1.8
129.07018	1.4
131.04895	0.9
144.05692	5.4
145.06482	1.9
146.07214	1.3
157.06424	4.6
158.07201	3.9
159.08014	6.3
161.05910	1.5
161.09555	1.8
165.05438	1.3
165.09050	1.9
169.04903	1.2
174.06735	23.5
175.03882	5.1
175.07483	4.8
187.07513	4.4
189.09048	4.8
201.05490	3.0
202.06219	3.2
217.08578	96.3
230.05721	1.5
245.08052	100.0
276.09808	0.9
344.42657	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0445
Annotation	Norwedelic acid
Peak:m/z	Relative Intensity
55.01867	0.8
59.45678	0.4
63.18477	0.4
64.56933	0.4
65.03918	0.7
67.01838	0.5
67.05487	0.5
68.99773	6.7
69.03403	0.9
69.07046	0.7
71.04991	0.8
79.05509	0.4
81.03403	1.8
81.07027	1.1
83.04939	0.6
85.02881	1.9
86.09669	0.5
91.05464	9.1
92.05788	2.4
93.07020	3.7
95.04936	0.7
95.08546	1.0
97.02875	2.4
107.04951	0.6
109.02860	1.7
109.06492	3.6
111.00771	5.9
111.04445	1.8
119.06049	0.8
121.02882	0.7
121.06477	23.2
121.10178	0.9
122.06777	6.2
123.04440	0.9
125.02321	3.8
126.03138	3.9
127.03893	2.4
137.02309	9.8
137.03276	0.7
139.03891	2.0
139.11122	0.5
147.04393	0.7
149.05940	4.0
151.03880	5.5
153.01799	38.5
157.12184	0.7
161.05885	0.7
165.01799	18.6
166.02592	0.7
167.03265	0.5
169.01244	1.0
177.05415	6.2
179.03357	16.0
183.02843	1.8
189.05383	2.1
193.01305	0.9
195.02866	8.0
199.03885	1.1
203.03366	6.0
204.03967	0.6
207.02878	8.9
217.04924	4.7
221.04353	3.6
227.03342	2.4
229.04851	1.0
231.02890	2.4
232.03645	5.7
235.02286	0.6
245.04399	19.0
249.03812	1.0
255.02805	3.4
263.05258	0.6
273.03873	25.3
283.02249	3.0
290.04211	6.2
301.03427	4.5
319.04413	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0445
Annotation	Myricetin
Peak:m/z	Relative Intensity
54.82011	0.2
55.01856	0.3
65.03908	0.6
67.01861	0.3
68.99772	5.9
69.03430	0.3
79.01826	0.4
81.03383	0.6
84.95193	0.3
88.84057	0.3
93.03388	0.6
94.84704	0.3
95.11517	0.3
97.02846	0.5
105.07010	0.5
109.02863	4.0
111.00787	6.3
111.04411	1.5
115.05450	0.6
121.02832	0.6
121.06449	1.1
123.04398	0.3
125.02354	0.4
126.03100	0.6
126.28963	0.3
127.03874	0.6
133.02840	0.4
137.02307	7.7
139.03934	0.7
143.03416	0.5
147.04384	1.2
147.80370	0.3
149.02292	0.4
153.01802	40.9
154.24792	0.3
161.02328	0.4
161.05969	1.2
165.01793	9.6
165.24016	0.3
166.02576	1.1
171.04399	1.2
175.03879	0.6
177.05435	1.4
179.03339	4.1
183.02864	2.8
189.05479	4.4
193.01334	0.4
195.02882	1.7
199.03894	1.8
203.03381	2.8
207.02858	0.6
216.04256	0.3
217.04929	14.1
219.41687	0.3
221.04388	1.3
227.03337	1.1
229.04884	0.5
231.02806	0.5
232.03624	0.5
233.04472	0.4
235.02382	0.6
235.05930	1.2
244.03696	1.2
245.04382	14.8
255.02843	2.0
263.05392	1.2
273.03888	11.6
290.04108	2.7
291.04947	0.4
301.03320	2.8
319.04413	100.0
320.04886	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2998
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
54.81624	1.0
55.05499	5.6
56.05029	22.2
57.06866	0.8
57.07067	12.7
57.23731	0.8
58.06579	6.9
58.14138	0.9
60.04513	99.5
63.72978	0.8
67.05499	3.7
69.07050	6.4
71.08598	7.3
72.04497	1.9
74.06062	14.6
78.12140	0.9
79.05466	1.9
81.07042	2.0
82.62759	1.0
83.08597	2.6
83.86585	0.9
84.75418	1.1
85.10169	1.5
86.06046	1.5
86.82571	1.0
88.07610	57.2
90.05540	1.2
92.09403	1.3
95.08583	2.4
97.10152	1.4
109.10146	1.6
113.98462	1.1
118.08612	8.5
121.10006	1.1
122.08064	2.0
178.11203	1.0
178.66798	1.2
242.49843	1.1
264.26898	1.8
270.25000	2.0
270.27838	41.4
282.27847	7.7
300.28906	12.5
318.29968	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	319.0183
Annotation	Unknow
Peak:m/z	Relative Intensity
50.69380	0.4
56.96318	0.6
56.96556	9.3
56.97014	0.4
59.62674	0.4
71.95236	1.8
92.09301	0.5
97.02769	0.4
98.97555	100.0
99.97873	0.9
103.92784	0.5
113.03486	0.6
116.98590	80.0
117.98892	0.9
118.99036	0.5
119.01871	0.8
134.99628	33.9
140.00128	1.0
152.22557	0.5
153.00679	7.0
158.01234	0.8
161.02850	0.6
175.04539	0.5
177.00841	0.9
178.01010	1.0
179.00662	5.2
203.02510	0.6
205.02287	4.9
216.98756	0.5
219.01981	1.0
221.01677	1.7
232.96414	0.5
234.99808	1.9
240.98578	2.6
247.03334	1.0
258.99683	35.6
259.99881	1.9
272.94321	1.0
274.97430	2.3
276.97998	2.7
277.00735	76.4
278.01016	3.6
292.98486	2.5
294.98492	1.1
295.01901	1.0
295.05472	2.4
295.98508	0.5
296.08914	1.1
300.02383	2.1
301.01111	0.7
311.04364	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2997
Annotation	4-Hydroxysphinganine
Peak:m/z	Relative Intensity
54.36412	0.5
54.81240	0.5
55.57621	0.5
57.06806	1.1
57.07064	15.1
58.06581	3.7
67.37157	0.5
69.07077	0.6
70.06580	29.2
71.08611	6.8
75.73625	0.5
81.08892	0.6
83.68329	0.7
85.10163	1.0
88.07617	36.2
89.45820	0.6
90.29697	0.6
102.09159	23.3
146.11639	0.8
188.73860	0.5
194.27800	0.6
256.26294	66.5
257.26770	0.8
300.28964	5.3
318.29977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.2999
Annotation	Unknow
Peak:m/z	Relative Intensity
57.06815	0.7
57.07066	12.3
57.64950	0.4
58.06575	0.5
70.06202	0.9
70.06576	23.6
71.08606	5.3
76.56406	0.5
80.48280	0.4
84.08102	2.2
85.10140	0.9
86.09682	0.9
88.07611	24.1
90.79449	0.4
97.10789	0.4
102.09145	1.0
106.08641	3.5
114.09146	9.0
118.08639	2.2
130.08646	0.7
132.10173	30.6
150.11235	22.8
178.62071	0.5
210.00656	0.5
230.23857	0.5
242.24767	2.0
256.26312	1.1
274.27325	9.4
318.29959	100.0
319.30261	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
56.05043	0.3
56.96549	0.4
57.03417	0.5
58.80520	0.3
59.41404	0.3
64.30637	0.3
65.03936	2.1
65.15894	0.2
67.05489	1.1
68.99759	0.4
69.03407	1.2
69.07035	0.7
71.04950	0.3
71.37592	0.3
79.05476	0.5
81.07037	0.4
85.02888	1.9
86.09689	2.2
91.05460	38.9
93.07021	13.4
93.07625	0.4
95.04933	1.2
97.02888	0.7
97.06518	1.8
97.90983	0.3
105.06950	0.3
106.04157	1.7
107.04939	3.6
107.08570	0.3
107.88145	0.3
109.05727	0.3
109.06498	16.7
119.06047	6.7
121.06480	100.0
124.05190	1.7
130.06442	0.5
136.11205	0.3
137.02312	0.4
137.06001	0.3
138.09158	0.3
144.75201	0.3
146.05988	0.6
149.05995	0.4
151.03880	0.4
153.01842	2.3
197.01294	0.4
208.75037	0.3
215.02255	0.7
245.04329	1.2
273.03931	0.6
319.04407	3.5
335.45111	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	1.7
55.01863	1.1
57.03421	4.0
61.02915	7.8
67.05484	1.1
69.03416	16.8
69.07084	0.9
69.99014	0.8
71.04970	0.8
73.02886	3.7
75.25217	0.7
79.05471	1.9
80.35624	0.9
80.84480	0.7
81.03416	5.7
81.07034	1.1
82.06572	1.0
85.02893	47.3
87.04426	2.0
91.03945	1.8
91.05472	2.0
92.08667	3.7
93.07036	3.5
95.04928	1.0
95.08579	3.2
96.04484	4.4
96.08102	3.8
97.02865	12.4
97.05272	1.4
97.06517	1.7
99.04417	1.4
100.07599	1.0
103.05467	8.7
107.04906	0.9
109.02835	3.4
109.06462	1.2
110.06023	7.1
110.09668	5.2
116.91074	0.7
121.06487	18.4
126.09140	17.3
127.03883	8.1
138.09120	40.3
139.07542	4.5
145.04956	8.9
154.08623	1.6
155.08887	1.5
156.10182	100.0
163.05975	0.9
168.10132	1.5
180.10254	1.4
265.10733	3.1
318.15436	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	1.9
55.01861	5.0
57.03416	5.7
61.02911	8.3
69.03413	20.5
70.06564	7.8
71.04956	1.6
73.02882	4.9
74.70509	0.9
81.03397	10.2
85.02890	93.3
87.04436	1.2
89.29799	0.9
91.03920	4.4
91.05460	7.4
93.07026	51.7
95.04936	6.2
97.02869	17.8
99.04431	4.7
103.05428	1.3
105.07013	4.6
109.02859	7.2
116.98653	1.0
119.04872	0.9
121.02839	1.1
121.06483	100.0
127.03905	16.2
138.09088	8.7
139.07521	6.5
140.07011	1.7
141.06987	1.1
145.04922	15.7
145.06035	1.3
145.06456	1.4
151.07545	1.2
156.06473	1.3
156.10167	5.4
157.06401	1.5
159.08043	1.8
162.85271	0.9
163.05977	5.2
163.07391	1.1
173.97910	0.9
187.07494	9.7
205.08556	6.6
217.08612	1.2
221.09219	1.2
229.08502	4.3
247.09557	3.7
265.10712	1.7
318.14838	1.4
320.43408	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04897	0.9
53.03945	1.3
54.03455	0.8
55.01845	2.2
55.05492	1.5
56.96560	1.0
57.03415	5.7
61.02913	12.4
64.33006	1.2
67.05489	2.5
69.03063	1.5
69.03412	25.3
69.07029	1.0
70.06567	1.9
71.04956	1.5
71.06306	1.1
71.99590	1.0
72.93771	1.1
73.02876	5.6
79.05460	7.1
81.03404	12.0
81.07027	1.5
83.04965	2.0
84.04478	2.1
85.02888	100.0
86.09686	2.3
87.04419	1.8
87.30654	1.0
91.03918	6.8
91.05464	8.0
92.50311	1.2
93.07011	10.0
95.04948	4.4
95.08572	1.7
96.04450	2.3
97.02882	22.6
98.97576	2.1
99.04419	2.5
103.05448	28.6
107.04919	1.6
108.99844	1.0
109.02879	8.5
110.06012	1.5
115.03961	1.5
121.06479	27.0
123.04431	2.1
124.07581	1.3
127.03883	20.5
128.03392	4.2
128.07054	5.2
130.06465	9.7
136.84373	1.2
137.05940	1.3
138.05457	1.6
139.03879	12.1
139.07498	1.4
145.04950	26.0
146.05997	1.4
149.64311	1.2
151.70451	1.1
154.04977	21.3
154.08569	2.0
155.08881	1.0
156.06506	30.6
156.07661	1.5
156.10165	17.2
156.29704	1.2
162.05409	1.3
163.05931	4.5
168.59636	1.1
192.77351	1.2
202.07077	6.3
228.08722	1.9
246.09660	12.8
265.10635	5.2
274.84894	1.0
282.81909	1.5
318.15439	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	318.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.45662	0.7
53.03922	3.4
55.01861	1.3
55.65644	0.7
57.03426	8.0
57.89014	0.7
61.02916	12.4
67.05477	0.8
69.03413	24.7
70.06557	2.0
71.04960	3.2
73.02905	4.1
81.03412	7.0
82.63469	0.7
84.56266	0.9
85.02888	100.0
87.04446	3.6
91.03926	4.0
91.05457	5.2
93.07024	16.4
95.04935	4.3
97.02863	24.3
99.04422	3.8
102.20944	0.9
103.05404	3.5
104.35300	0.9
105.07027	1.8
109.02880	8.4
110.28251	0.9
112.07567	1.1
121.06479	85.6
127.03891	17.4
131.08554	1.8
138.09041	0.9
140.07088	6.5
141.06952	0.9
145.04916	19.6
145.06177	1.0
145.06540	1.0
156.10229	1.2
157.06476	1.9
159.08029	4.1
163.06012	4.4
167.27299	0.8
167.28687	0.9
175.07506	1.4
179.07037	1.1
180.08655	1.5
182.08058	1.6
184.75066	0.8
187.07512	10.0
205.08583	6.5
217.08578	1.0
229.08592	1.8
241.57935	1.0
247.09644	4.4
265.10721	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	318.118
Annotation	Unknow
Peak:m/z	Relative Intensity
53.82148	0.2
55.01866	0.4
56.96527	0.2
57.03423	1.0
61.02894	0.5
66.45041	0.2
69.03407	2.6
70.06561	0.5
71.04948	0.3
73.02898	4.3
81.03394	0.6
82.06571	0.6
83.04956	0.3
84.04484	11.9
84.08124	0.5
85.02887	4.4
86.09689	3.7
91.03974	0.2
92.63618	0.2
97.02855	1.2
109.02832	0.3
110.02380	11.9
110.06021	8.6
111.04403	0.4
127.03841	0.3
137.67450	0.3
138.05470	100.0
139.03996	0.3
156.06517	39.0
213.33327	0.3
318.11795	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	318.1182
Annotation	Unknow
Peak:m/z	Relative Intensity
51.04079	0.3
51.46781	0.3
53.03926	1.8
54.64204	0.3
55.01858	0.8
57.03418	1.7
61.02933	3.7
64.26115	0.4
67.05497	0.6
69.03413	8.1
71.04969	0.5
72.01266	0.3
72.14778	0.4
73.02896	1.8
81.03383	3.1
85.02889	23.6
87.04431	0.5
91.03930	1.7
92.08760	0.7
95.04947	55.9
97.02864	6.8
99.04437	0.9
103.03166	0.4
105.04473	0.6
109.02871	1.6
114.47652	0.4
121.02844	29.6
121.06479	3.6
127.03853	3.6
138.09111	0.7
139.03885	100.0
145.04959	4.4
156.10182	2.9
157.04939	0.5
180.08656	0.6
187.07434	0.6
283.08102	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.2682
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91195	0.8
55.05499	31.9
56.08030	1.1
57.03425	1.1
57.07065	7.7
57.49687	0.9
58.05933	1.0
66.12771	0.9
67.05486	39.3
67.05838	1.8
69.03422	1.7
69.07050	40.6
71.04980	7.0
76.56474	1.2
79.05039	1.8
79.05467	25.2
81.07034	100.0
83.04934	1.5
83.08606	13.4
85.06513	5.7
91.05437	7.8
93.07018	44.6
95.04949	1.5
95.08576	93.7
97.06512	4.5
97.10136	13.7
99.08047	1.3
105.07011	16.7
107.07868	1.6
107.08575	38.2
109.10136	48.4
111.08054	2.4
111.11704	5.8
119.08547	12.8
121.10115	29.8
123.08012	2.1
123.11672	25.4
125.09616	4.4
131.08519	1.3
133.10089	11.6
135.11661	26.1
137.13232	18.4
144.46280	1.0
147.11656	10.8
149.13260	18.7
151.11148	1.1
151.14777	1.7
153.01814	2.3
153.12775	3.8
161.13191	6.2
163.14751	11.9
175.14775	6.7
177.16298	1.4
181.15926	1.2
189.16351	7.7
191.17839	1.9
193.98804	1.1
203.17793	1.0
229.04805	1.5
245.04428	1.1
245.22527	19.2
263.23639	11.9
281.24695	23.8
302.04117	1.6
317.06528	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	317.1018
Annotation	4,2',6'-Trihydroxy-3,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
55.01871	0.2
55.03979	0.1
55.05499	0.2
65.03918	0.3
66.04697	0.3
68.99771	0.3
69.03373	0.1
78.57075	0.1
79.01846	0.2
79.05483	1.1
81.03391	0.2
81.07038	0.7
81.54424	0.1
83.04967	1.0
85.02903	0.2
91.05460	2.4
92.64624	0.1
94.04159	4.0
95.04950	0.3
96.02088	0.3
97.06505	0.1
105.03352	0.2
105.07010	0.3
107.04948	1.0
109.06499	1.0
111.04431	2.3
113.02427	0.2
115.05428	0.3
115.39027	0.1
119.04939	1.2
122.03625	11.1
131.04866	0.5
133.06459	0.2
135.04388	1.7
136.05179	0.5
137.05954	100.0
138.06255	0.2
139.03879	16.6
141.06981	0.2
147.04404	2.4
150.03116	0.6
150.06749	1.8
151.07532	1.6
161.05927	1.1
163.07491	0.3
165.05399	1.3
167.03380	2.2
169.04970	0.2
169.06479	0.5
171.04364	0.6
175.03864	0.5
178.02563	1.1
185.04472	1.3
186.06776	1.0
193.04936	5.0
194.01360	0.1
197.05956	0.6
200.26541	0.2
203.06943	0.2
211.07497	0.5
214.06160	0.2
225.05409	0.3
239.06882	0.1
239.74861	0.2
240.04295	0.1
241.04929	0.2
242.05725	0.3
257.08121	0.3
270.05188	1.3
274.04590	0.7
285.07544	2.5
288.06165	0.6
289.06985	2.0
317.10172	4.1
317.13788	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	317.1016
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01866	3.4
55.05506	21.6
56.26114	1.7
56.96555	10.9
57.03426	4.0
57.07054	3.1
57.14005	1.8
62.81762	1.7
67.05489	42.3
69.03412	5.0
69.07050	29.4
70.06567	9.8
71.04967	15.0
79.05478	20.5
81.07036	98.1
83.04976	4.4
83.08616	8.2
85.02900	17.9
85.03344	2.3
85.06526	8.6
86.09678	9.0
91.05455	21.0
93.07023	42.3
94.07362	3.0
95.08584	80.9
97.02886	8.9
97.06512	3.0
97.10120	4.4
98.97564	12.2
103.05470	2.9
105.06998	19.9
107.04983	2.6
107.08569	33.7
109.10141	40.4
111.04408	3.9
113.09614	2.8
116.98597	4.1
117.03370	8.1
119.08578	17.3
120.08064	3.4
121.10108	16.2
122.03628	11.1
123.04448	2.8
123.11703	15.3
128.63232	2.2
128.98567	2.3
129.07002	4.4
133.10104	9.0
134.80417	2.0
135.11671	18.9
137.04874	2.9
137.05942	89.9
137.13223	10.1
139.03874	16.6
141.07047	2.6
144.75441	2.6
145.02808	15.7
145.10153	4.1
147.11647	7.8
149.13208	15.1
152.06215	2.6
153.06955	3.3
155.08624	2.7
161.05977	3.0
161.13248	3.8
163.14850	9.7
165.05481	3.4
165.07016	2.7
166.07748	2.8
167.03348	46.9
167.07019	3.4
167.08469	2.8
169.06439	4.0
169.10097	5.0
175.14825	9.6
177.05403	16.4
177.16322	2.9
179.08556	11.8
181.06465	10.2
181.10072	4.6
183.08018	8.9
184.05142	2.7
185.04411	3.1
189.16304	4.1
191.08556	8.3
193.05016	3.2
194.07213	12.9
196.05199	2.6
197.05959	10.8
197.09631	9.1
199.07535	10.5
201.09059	3.4
207.08015	9.6
209.09560	53.1
210.06648	7.9
211.07541	27.8
213.09094	2.5
219.07919	3.5
221.05882	2.8
224.04701	2.3
225.05470	10.6
225.09032	47.2
225.11069	3.5
226.06223	7.3
226.08546	1.9
229.08543	13.7
230.61481	2.3
235.07497	8.1
236.08304	2.4
237.05421	3.1
237.09091	22.0
238.06255	11.8
239.06915	14.7
245.22633	10.9
253.08514	100.0
254.09268	19.7
255.10207	8.6
257.08002	12.3
263.23682	18.5
263.83136	2.7
271.09625	9.4
281.08023	35.0
281.24670	9.6
287.05447	13.6
288.05597	2.3
299.08994	42.3
317.06680	3.6
317.10092	42.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.1016
Annotation	4,2',6'-Trihydroxy-3,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
51.02361	0.2
55.01862	0.2
55.05499	0.4
55.12288	0.2
60.04513	0.7
65.03913	0.4
65.09451	0.2
66.04702	0.3
67.05491	0.4
68.99768	0.4
69.03416	0.3
69.07076	0.6
72.56654	0.2
74.24770	0.2
77.61514	0.1
79.05483	1.4
81.03389	0.2
81.07025	1.5
83.04955	1.2
83.08593	0.3
85.02872	0.3
85.06507	0.3
91.05464	3.0
93.07030	0.4
94.04166	3.9
95.04947	1.0
95.08578	0.4
97.06510	0.3
103.05443	0.2
105.03391	0.3
105.06996	1.1
107.04958	1.2
107.08518	0.3
109.06506	0.8
109.10170	0.3
111.04441	2.0
111.08075	0.2
115.05406	0.2
119.04928	1.3
119.08566	0.3
119.18716	0.2
121.06474	0.2
122.03623	11.6
123.04433	0.3
131.04887	0.2
131.08582	0.2
135.04388	1.9
136.05206	0.3
137.05954	100.0
138.06316	0.2
139.03880	15.6
141.06972	0.2
147.04387	2.5
149.09552	0.3
150.03102	0.3
150.06737	2.4
151.07510	1.3
161.05899	1.2
165.05479	1.3
167.03387	1.5
169.06471	0.3
175.03873	0.7
178.02466	1.2
185.04422	1.0
193.04916	4.9
197.05966	0.4
225.05482	0.3
257.08093	0.3
274.04712	0.8
285.07550	0.3
289.06918	2.5
317.10138	4.7
317.17130	0.2
317.20819	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Quercetin 3-methyl ether
Peak:m/z	Relative Intensity
50.86224	0.2
55.05479	0.3
63.26494	0.2
66.01060	0.4
67.05474	0.3
68.99754	0.4
69.07055	0.3
76.56030	0.2
81.07014	1.3
92.02587	0.5
92.08750	0.4
93.07014	0.4
95.08568	0.4
105.74699	0.2
107.04916	0.4
107.08607	0.3
109.10132	0.3
110.03648	4.0
115.07462	0.3
121.02827	0.4
121.10088	0.3
123.08024	0.2
126.03082	0.3
131.04874	0.3
137.02325	6.8
137.03391	0.5
137.05940	1.7
138.03036	0.2
147.04442	0.3
149.05937	0.3
150.03084	0.5
151.03699	0.2
153.01790	3.9
165.01764	0.4
185.06026	0.2
192.04218	0.3
193.01309	1.4
200.04640	3.4
203.03413	0.4
204.04187	2.1
213.05444	1.2
217.04874	0.4
218.05730	1.0
228.04099	10.2
229.04887	3.9
231.02885	0.3
245.04372	4.8
246.05078	0.5
256.03488	1.9
257.04446	3.7
273.03891	3.0
274.04660	13.5
285.03854	3.9
285.07034	0.5
301.03369	39.0
302.04147	100.0
317.06491	82.6
317.14108	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0655
Annotation	Isorhamnetin
Peak:m/z	Relative Intensity
54.83342	1.2
55.05503	1.6
56.96538	2.0
65.03922	1.4
67.05498	6.2
69.07043	1.4
70.97738	1.2
71.04971	1.6
76.56583	1.4
81.07032	8.2
83.08589	1.2
91.05459	5.9
92.02617	3.3
93.03381	6.3
93.07015	3.2
93.57395	1.3
95.08595	8.8
97.02880	1.5
105.07016	1.9
107.08585	5.0
109.10128	6.2
119.08534	2.2
121.02844	3.2
121.10162	2.2
123.04424	2.2
124.90960	1.5
134.99615	1.4
135.04395	7.6
137.04091	1.5
137.05960	2.7
139.03885	5.7
149.02348	5.6
153.01822	35.7
167.03256	1.4
199.19572	1.5
199.62244	1.4
201.05418	2.7
217.05000	2.4
222.95543	1.4
228.04037	5.2
229.04875	11.7
233.89731	1.5
243.06456	3.0
245.04480	2.5
246.05341	5.4
257.04456	5.7
271.05984	5.7
273.03979	5.5
274.04648	8.4
285.03879	9.6
299.05481	2.1
302.04221	27.2
317.06519	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0652
Annotation	Oryzafuran
Peak:m/z	Relative Intensity
54.72179	0.3
54.81538	0.3
55.54121	0.3
65.03920	0.6
67.05481	0.6
67.58768	0.3
68.99774	0.7
69.03425	0.3
78.87022	0.3
81.07022	0.5
91.05424	0.4
92.02591	6.6
93.03378	6.2
94.04150	0.4
95.08553	0.5
109.10153	0.4
111.00784	0.5
121.02838	4.1
122.03620	0.6
125.02383	0.3
126.03112	1.8
135.07957	0.4
137.02342	0.7
137.05931	0.4
139.03848	2.5
145.06448	0.3
151.03900	1.9
153.01797	31.9
161.26604	0.3
165.01822	1.7
166.02544	0.4
167.03296	0.7
173.05980	0.6
176.04668	0.5
177.05455	0.7
183.02795	0.4
192.04279	0.4
200.04646	1.3
201.05424	3.4
203.03365	3.3
217.04898	4.6
218.05667	3.2
219.02901	0.6
227.62000	0.4
228.04099	6.7
229.04916	13.3
231.02789	1.9
243.06180	0.4
245.04340	7.1
246.05193	7.2
256.03659	0.7
257.04376	8.0
260.03104	0.8
261.07562	0.5
261.15259	0.3
271.05865	0.4
273.03867	5.6
274.04645	11.4
284.02991	1.8
285.03876	11.4
288.06250	0.6
301.03470	0.7
302.04129	34.8
317.06479	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0649
Annotation	Milimorin
Peak:m/z	Relative Intensity
53.03920	1.0
53.24204	0.7
54.25153	0.7
55.05494	3.6
61.69228	0.6
65.03918	0.9
65.52316	0.6
67.05485	6.4
69.03407	1.1
69.07033	3.8
70.06554	3.7
71.04971	5.8
77.88422	0.6
79.05475	5.3
80.87740	0.7
81.07034	15.0
83.04942	0.6
83.08601	1.1
85.02877	1.8
86.09677	1.4
88.88112	0.8
91.05450	5.6
92.02596	5.8
93.03377	3.8
93.06998	10.0
95.04925	3.3
95.08577	10.2
97.06439	0.8
97.10153	0.8
98.97570	1.0
102.75415	0.7
103.05427	0.8
105.07034	6.0
107.04933	1.2
107.08559	8.2
109.06504	1.2
109.10139	8.1
119.08556	10.2
120.08052	1.3
120.36266	0.7
121.02818	4.5
121.06484	0.9
121.10112	5.8
123.08080	1.4
123.11679	2.8
124.06363	0.7
125.09637	1.2
126.03119	1.1
129.06995	1.2
129.39305	0.7
131.08502	1.6
132.99234	0.8
133.10110	4.6
135.04440	1.0
135.08012	1.0
135.11633	4.4
137.02277	0.8
137.05940	1.6
137.09541	2.8
137.13222	1.1
138.03145	0.7
139.03853	1.2
143.08530	0.9
145.10101	2.8
147.11627	1.3
149.13269	1.4
151.03835	3.5
153.01801	34.3
153.12657	1.5
157.10059	1.5
163.03798	0.9
165.01805	0.9
175.14832	1.4
177.05507	0.8
185.13116	0.9
189.12697	1.8
201.05460	3.1
203.03352	2.8
213.12747	0.8
217.04990	6.3
228.04047	6.4
229.04890	10.9
229.87871	0.8
231.02798	1.2
239.06972	0.8
245.04489	4.1
246.05238	5.8
257.04388	7.1
263.23767	1.0
271.06079	0.9
273.03925	4.2
274.04642	10.5
285.03833	9.9
302.04120	30.5
317.06482	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
50.44735	0.5
55.05268	0.6
55.05504	5.8
56.05030	8.7
57.03424	0.7
57.07065	5.6
57.07294	0.5
58.46705	0.7
60.04513	100.0
67.05493	8.1
69.07056	6.3
70.06581	0.7
71.08611	1.6
72.04485	0.9
74.06052	9.0
77.36427	0.6
79.05463	4.4
81.07035	9.7
82.06548	0.7
82.13197	0.7
83.08601	4.9
88.07613	16.1
91.05449	3.3
93.07023	4.1
94.06543	0.7
95.08580	8.0
97.10152	0.7
102.05495	1.3
105.07020	1.3
107.08547	1.6
109.10154	2.8
112.07574	0.9
120.06533	0.9
133.10030	0.9
163.98785	0.8
166.56306	0.8
167.71136	0.7
168.41151	0.7
232.33276	0.9
253.06039	0.8
270.27896	4.5
280.26349	8.7
298.27261	9.6
316.19727	5.9
316.28415	51.3
316.31528	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	317.0644
Annotation	Herbacetin 4'-methyl ether
Peak:m/z	Relative Intensity
53.03912	0.4
54.81643	0.5
55.05495	2.2
57.03422	0.5
57.07068	0.6
59.05013	0.5
65.03917	0.9
67.01839	1.0
67.05478	1.3
68.99773	2.1
69.03407	1.2
69.07046	2.2
70.18610	0.5
71.04964	0.8
72.08152	0.9
75.97862	0.5
79.05464	2.7
81.03383	0.9
81.07032	7.4
81.16283	0.5
83.04949	0.5
83.08619	0.7
85.02872	2.7
85.06516	0.5
85.49807	0.5
91.05450	0.9
92.02601	6.2
93.03384	5.8
93.06998	2.6
95.04941	4.0
95.08585	5.4
97.02859	0.9
97.10146	0.5
98.97543	0.6
105.07010	2.4
107.04935	28.2
107.08570	2.9
109.02855	0.8
109.10131	2.2
119.08562	1.1
121.02838	5.0
121.06422	0.7
121.10123	2.2
122.03631	0.7
123.04385	1.0
126.03114	2.1
131.04880	1.1
131.08539	0.7
133.10034	0.7
135.04381	2.0
135.11699	0.8
137.02310	1.0
137.05937	4.5
137.13211	1.0
138.20546	0.5
139.03874	2.6
149.13182	0.7
151.03883	2.2
153.01797	31.5
155.03352	14.1
155.06970	0.9
163.03876	0.9
165.01830	1.3
165.05484	1.8
178.68129	0.4
187.03725	0.6
190.06058	0.7
200.04677	0.7
201.05414	3.7
203.03326	3.0
205.04958	0.6
214.83823	0.5
217.04945	6.3
218.05714	2.4
225.09050	0.8
228.04181	6.1
229.04922	13.3
231.02823	2.1
245.04376	6.6
245.22598	0.6
246.05182	6.9
253.08435	0.8
256.03766	0.9
257.04425	8.1
258.05215	0.8
260.03101	0.7
273.03918	7.4
274.04636	12.2
281.24603	0.7
284.02975	1.2
285.03824	11.8
302.04132	30.4
317.06485	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Halisphingosine A
Peak:m/z	Relative Intensity
55.05500	7.0
56.05037	5.0
57.07058	1.6
58.58257	0.7
60.04513	100.0
67.05489	7.7
68.05022	0.9
68.45755	0.6
69.07047	6.9
69.94463	0.6
72.04493	1.0
74.06064	1.0
79.05454	3.9
81.07045	9.0
82.06541	1.2
83.08596	3.8
86.06026	0.9
91.05455	3.1
93.07017	3.2
95.08583	9.6
96.08076	1.2
97.10143	0.7
101.06075	0.6
102.20679	0.7
105.06979	0.9
107.08569	1.2
109.10139	0.9
112.07578	0.7
167.84911	0.7
262.25317	2.4
263.63486	0.7
274.92239	0.7
280.26379	7.0
298.27377	7.4
316.28412	33.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2844
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	6.2
56.05009	5.4
57.03424	0.8
57.07055	3.8
59.46278	0.7
59.65207	0.7
60.04512	100.0
67.05493	12.8
69.07051	7.8
69.07350	1.0
70.78048	0.7
71.08604	1.1
72.04485	1.9
74.06071	0.8
79.05467	6.5
80.05009	1.3
81.03359	1.0
81.07037	12.0
83.08594	4.5
83.48629	0.8
87.04433	3.1
91.05455	3.4
93.07010	5.8
95.08586	11.2
97.10144	1.5
98.97584	1.0
101.86617	0.9
105.06989	1.6
107.08584	1.1
109.10124	4.4
121.10114	1.5
137.05952	15.2
139.03818	1.1
189.96698	0.9
232.02180	0.8
247.67757	0.9
255.58391	0.9
280.26364	8.3
298.27313	8.0
306.24066	1.0
316.28421	44.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.40758	0.4
55.05504	7.1
56.05028	6.8
57.03438	0.9
57.07067	1.3
58.02924	0.6
60.04515	100.0
65.03923	0.6
67.05489	12.3
68.05016	0.6
69.07051	7.1
70.06550	0.8
71.08591	0.8
72.04482	2.3
74.06060	2.5
78.07284	0.6
79.05475	5.2
80.05002	1.1
81.07040	10.2
82.06572	2.4
83.04948	0.6
83.08604	4.0
88.83065	0.5
90.05522	0.6
91.05459	3.2
93.07008	3.1
94.06547	0.8
95.08586	8.3
96.08094	0.8
96.63048	0.6
97.10147	1.1
100.22371	0.5
105.06961	1.2
107.08549	2.6
109.10133	2.6
112.07529	0.7
119.08572	1.2
121.10103	0.8
146.93288	0.6
163.98407	0.6
166.70534	0.5
220.37027	0.6
243.45737	0.6
252.32167	0.6
262.25217	2.5
280.26257	7.6
298.27344	11.0
316.28391	37.8
317.28558	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.16
Annotation	Unknow
Peak:m/z	Relative Intensity
52.73176	0.5
53.03931	1.3
55.01870	0.9
55.05505	15.8
57.03429	39.5
57.65900	0.5
59.04992	24.0
60.04509	1.1
61.02913	14.0
61.25343	0.5
66.15858	0.5
69.03407	3.7
70.06583	0.6
71.04605	0.9
71.04975	20.0
71.36344	0.4
71.75255	0.5
73.02892	1.1
73.06529	3.7
81.03417	2.2
83.04457	1.0
83.04964	31.8
84.08128	1.1
85.02895	10.9
89.06050	0.6
91.03939	0.7
92.63990	0.5
97.02856	3.6
99.04431	1.1
101.05998	100.0
105.27414	0.5
106.04974	0.9
109.02892	0.5
117.05530	0.6
119.07030	26.8
120.39289	0.6
127.03843	1.1
131.85951	0.5
136.07568	1.1
137.05919	2.6
137.08067	33.2
154.04974	5.3
154.08615	0.7
180.80920	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83829	0.1
51.71562	0.1
55.05506	1.5
56.05025	0.2
57.03420	0.2
60.04934	0.1
61.02896	0.1
69.03403	0.5
70.06561	0.2
79.05467	0.4
81.03406	0.2
81.07039	2.0
82.06571	0.1
83.08594	0.4
84.08112	0.1
85.02881	0.8
96.04412	0.1
97.02852	0.4
97.05229	0.6
98.06023	0.9
98.09669	0.7
104.96026	0.1
108.08094	0.9
109.06512	2.0
110.06010	0.8
111.06796	0.8
112.83793	0.1
125.08363	0.2
126.09142	1.9
138.05402	0.1
139.06261	1.4
152.06963	0.1
154.08601	100.0
155.09000	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	316.1387
Annotation	Unknow
Peak:m/z	Relative Intensity
50.49080	0.4
53.03936	1.5
54.81684	0.4
55.01854	0.5
55.05499	0.8
56.96539	0.4
57.03411	2.7
59.04959	0.5
61.02913	3.2
65.72428	0.3
67.05486	0.9
69.03415	8.0
69.07030	0.5
70.06570	0.6
71.04979	0.9
72.08126	5.5
73.02890	0.6
75.41215	0.4
79.05468	2.5
81.03397	4.2
81.05766	1.0
81.07040	4.6
82.06545	0.9
83.01301	0.5
83.04948	0.8
84.08115	0.7
84.81191	0.4
85.02892	13.6
86.09704	4.8
86.16108	0.4
87.04448	1.7
91.05466	6.9
93.05781	1.8
93.07006	3.6
94.06538	2.4
95.04919	1.4
96.08103	18.5
97.02875	5.8
97.06490	0.4
98.97565	2.9
99.04407	2.1
101.05968	0.5
108.08102	25.7
109.02855	1.9
109.06493	2.0
109.94041	0.4
110.06019	5.3
111.04392	0.4
116.07083	0.8
116.98584	0.8
118.06536	1.8
119.04908	0.5
123.04399	2.3
123.06771	1.7
124.07565	42.0
126.09150	0.7
127.03876	1.9
134.99577	0.5
135.04384	2.1
136.04684	2.2
136.07552	28.1
137.05969	3.4
139.03894	6.2
140.55048	0.5
145.04930	0.9
154.08606	100.0
159.06526	0.7
166.08603	2.4
178.08516	0.4
196.09570	0.6
199.17928	0.7
213.89482	0.5
216.12384	1.0
234.06348	0.5
237.02794	0.4
265.26392	0.5
298.95975	0.4
316.13977	3.0
316.21136	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	316.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	1.1
55.01857	1.0
55.05501	1.1
56.96561	0.6
57.03420	4.0
59.04955	0.7
61.02917	4.5
62.39211	0.6
67.05492	0.9
69.03418	10.7
69.07037	0.8
70.06599	0.9
71.04967	1.5
72.08124	4.3
73.02870	1.1
75.81399	0.6
76.55539	0.6
79.05461	3.0
80.04960	0.6
81.03392	5.6
81.05789	0.8
81.07021	4.5
83.04958	1.3
84.04504	0.6
84.08136	1.0
85.02891	22.6
86.09685	7.4
87.04453	2.7
89.36658	0.6
91.05455	11.6
93.05781	1.2
93.07024	6.0
94.06559	6.0
95.04953	1.4
96.07518	1.4
96.08105	27.0
96.42625	0.6
97.02856	9.4
98.97574	2.8
99.04423	0.9
101.06006	1.1
103.05426	7.0
103.49934	0.6
107.04959	0.9
108.08099	16.3
109.02827	1.0
109.06496	3.2
110.06020	5.9
115.03875	0.9
116.07008	0.7
116.98577	0.9
117.05698	0.7
118.06501	1.0
119.04928	6.4
119.70882	0.6
123.04362	0.8
123.06799	0.9
124.07558	44.4
126.09112	1.0
127.03904	3.8
134.99622	0.9
136.07553	36.5
137.05954	2.9
138.09142	0.9
139.03873	3.1
139.93217	0.6
145.04935	2.4
154.02126	0.8
154.08607	100.0
166.08580	1.6
265.24615	0.7
315.14063	1.6
316.14297	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	315.2679
Annotation	Unknow
Peak:m/z	Relative Intensity
51.68146	3.5
55.05503	25.8
57.07032	4.3
62.86078	3.1
67.05504	28.6
69.07050	21.6
70.15708	3.9
71.60242	3.2
78.31696	3.1
79.05465	33.3
81.07034	100.0
83.08595	9.0
83.11487	3.8
85.06525	21.2
91.05446	18.2
93.06582	3.7
93.07020	63.2
95.08579	51.4
97.06490	8.9
97.10157	4.0
105.07027	43.4
107.08581	53.8
109.10142	22.3
117.06973	6.1
119.08561	48.8
121.10114	51.7
123.11634	3.8
131.08536	32.6
133.10089	15.9
135.11632	7.0
143.08543	6.5
144.09256	4.9
145.10069	45.2
147.11638	15.5
149.13214	27.3
157.10143	15.6
159.11662	96.4
161.13232	20.5
163.14798	6.0
173.13226	17.7
185.13271	5.4
186.87041	4.7
187.14818	6.3
189.16393	6.1
201.16296	16.3
215.17844	19.2
217.19598	4.3
297.25699	19.6
315.26804	44.5
336.88412	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	315.1801
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60266	0.6
53.03933	3.7
55.01857	4.3
55.05499	4.1
56.96561	0.7
57.03424	11.2
61.02909	15.9
67.05488	6.4
69.03024	0.8
69.03410	25.9
69.07040	4.5
71.04976	5.0
71.81326	0.6
73.02899	6.4
79.05477	8.7
81.03395	11.3
81.07027	10.0
83.04973	5.8
85.02885	100.0
85.06536	0.7
87.04436	4.8
91.03916	5.8
91.05455	4.4
93.07018	23.7
95.04919	1.3
95.08575	8.2
97.02860	24.1
97.06564	0.8
99.04420	4.6
103.03885	0.8
103.96483	0.6
105.07015	3.6
107.04977	0.8
107.08569	35.6
107.41324	0.6
109.02850	9.2
109.10139	16.3
116.73966	0.6
119.08554	2.9
121.10154	1.0
123.11662	2.5
127.03881	17.8
131.08543	1.6
133.10110	3.0
134.99554	0.8
135.11664	26.0
145.04938	19.0
145.10118	0.9
147.11603	0.8
149.13345	0.7
153.12706	12.8
157.17197	0.6
163.05984	3.0
182.37779	0.7
297.16971	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	315.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80756	0.8
55.01846	1.3
55.05501	1.2
56.96553	2.4
57.03411	1.2
59.05002	1.0
59.06435	1.1
61.02900	2.0
65.71160	0.8
66.86376	0.9
67.05479	1.0
69.03405	7.0
69.07040	1.3
70.06575	1.7
73.02874	1.4
74.88799	1.0
79.05450	1.8
79.05885	0.9
81.03389	2.2
81.07030	2.0
83.79069	1.0
85.02409	1.5
85.02888	23.9
85.20789	0.9
91.05463	2.5
93.07007	6.4
95.08587	2.1
97.02888	7.5
98.97562	6.0
99.69640	1.0
100.80754	1.0
105.06989	1.3
107.04960	1.4
107.08572	6.6
109.02901	1.6
109.10139	1.3
116.98582	7.1
119.04895	1.6
121.02831	6.9
127.03920	4.2
134.40883	1.1
134.99622	4.6
135.09116	1.3
135.11636	4.9
136.89743	1.1
145.04913	2.3
147.04419	6.1
148.04718	6.7
153.01796	1.4
153.05362	1.1
153.10110	1.8
153.12769	1.3
164.72583	1.0
180.08734	1.3
180.55246	1.1
203.05240	2.5
315.14084	100.0
331.55667	1.1
333.08508	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.1046
Annotation	S,S,S,-TRIBUTYLPHOSPHOROTRITHIOATE
Peak:m/z	Relative Intensity
55.99286	0.5
58.54942	0.4
59.04977	2.4
65.99632	0.5
85.02908	0.9
89.96527	0.6
98.97588	0.6
120.05243	1.0
120.08035	1.0
136.33841	0.5
138.09105	2.4
147.04364	0.9
148.04761	2.2
156.10182	2.9
178.11377	0.5
198.81590	0.5
220.68031	0.5
315.10443	100.0
315.18939	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	315.1408
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.8
55.01844	1.5
56.96539	1.4
57.03416	1.9
61.02895	1.9
63.19675	0.8
65.66113	0.8
67.05481	1.8
69.03405	9.5
70.06561	1.6
71.04959	3.4
73.02891	1.3
74.09661	2.2
79.05457	4.4
81.03387	9.1
81.07029	1.4
83.88169	0.9
85.02435	1.2
85.02892	27.3
87.04424	1.5
91.05432	6.1
92.05773	2.3
93.07023	1.6
95.01289	1.8
95.04946	1.7
97.02876	10.1
98.97578	1.8
99.04437	1.0
103.03907	1.5
105.06995	1.1
106.06529	1.9
107.04939	1.9
107.08540	1.5
109.02834	5.5
110.03595	1.1
110.06011	1.0
111.04385	1.0
116.98579	1.9
119.04893	8.0
120.05242	12.1
121.02843	11.4
123.04402	18.6
124.88419	0.9
125.05945	4.6
127.03880	7.5
134.99594	1.5
135.09137	10.0
136.03902	46.9
145.04959	1.7
147.04384	18.6
147.05495	1.6
148.04716	38.0
152.07083	1.9
153.01826	6.7
153.04167	1.1
153.05426	35.0
153.07304	1.1
153.09094	1.5
153.10172	11.9
163.03795	1.1
178.04945	11.8
182.04971	1.1
216.32945	1.0
240.73674	0.9
246.12126	1.1
298.09103	1.5
315.14035	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	315.0497
Annotation	5-hydroxybowdichione
Peak:m/z	Relative Intensity
50.21281	0.3
51.49458	0.3
52.66174	0.3
55.05489	0.5
55.25304	0.3
56.96538	0.6
58.22471	0.3
59.54247	0.3
60.20464	0.3
62.05635	0.3
67.05473	0.6
68.99429	0.5
68.99780	11.0
69.07041	0.6
71.02451	0.4
81.03381	0.6
81.07032	1.7
85.06522	0.5
91.05434	2.1
93.07021	0.8
95.08582	0.5
95.36445	0.4
98.97556	0.5
105.07005	0.6
107.04944	0.5
107.08575	0.5
111.00082	0.5
111.00788	7.7
119.04921	0.6
119.08542	0.4
121.10098	0.4
123.11667	0.4
129.03360	0.4
131.04877	0.8
134.99594	0.4
135.04427	0.4
139.03833	0.4
141.06894	0.4
145.10133	0.4
147.04387	23.6
149.02399	0.4
149.05945	1.8
153.01782	3.6
157.02869	0.9
159.04358	2.0
161.02269	2.1
161.05945	0.8
162.03122	0.8
167.04898	0.6
171.04367	0.5
175.03857	37.3
177.05498	2.7
183.04411	0.5
185.05936	2.6
189.05414	3.9
203.03362	99.0
213.05415	3.8
217.04951	1.6
231.06479	1.8
241.04887	3.4
245.04388	1.5
259.05972	4.4
269.04440	1.9
287.05453	4.0
315.04913	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.3414
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81861	0.5
53.00277	0.5
55.05490	1.0
56.96528	1.2
57.07065	17.3
58.06574	0.8
62.06054	4.5
67.05462	1.1
69.07024	0.8
71.03332	0.6
71.08607	7.4
72.08131	1.1
79.05463	0.8
81.07037	2.7
85.10136	1.0
93.06982	0.7
95.08566	0.8
98.97546	4.0
116.98599	4.2
134.99603	3.7
156.17387	1.4
157.58748	0.6
174.18484	7.2
184.20557	2.9
202.21608	7.0
296.29416	1.0
296.32959	1.4
314.34091	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.1443
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	1.2
55.05497	0.7
57.03427	6.5
59.04964	0.8
61.01142	1.3
61.02915	5.1
62.06078	1.5
65.57394	0.6
69.03413	8.8
71.04974	24.3
73.02874	3.0
73.06525	3.3
75.04474	0.9
76.74518	0.7
81.03394	3.5
81.07051	6.2
85.02891	30.0
87.04455	0.7
89.06010	75.8
97.02872	50.8
99.04435	5.6
99.08070	41.3
101.27644	0.8
109.02847	3.1
117.05459	5.8
117.09109	32.3
119.04925	6.7
127.03900	2.8
135.05473	0.9
135.06496	16.9
135.10152	5.4
136.06165	100.0
143.01582	0.8
145.04939	4.7
147.04395	17.5
148.06270	0.8
152.09161	2.9
152.10687	1.2
164.04370	0.9
164.05621	6.2
172.03345	0.7
178.07187	1.5
180.08592	1.5
296.08142	1.5
314.09131	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	314.1806
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00277	0.3
55.05486	2.4
57.03423	11.3
61.01130	0.6
61.02895	1.6
62.06063	3.3
69.03413	5.7
69.07046	4.8
70.06567	0.7
71.04971	16.1
73.02860	0.6
73.06536	5.3
75.04436	3.6
79.05454	0.9
81.03387	0.9
81.07033	13.3
85.02883	11.1
87.04414	0.5
89.06004	12.4
91.05439	2.6
95.06041	0.9
97.02861	49.1
99.04414	1.7
99.08066	53.5
103.03904	1.6
117.05482	2.8
117.09100	18.2
119.04903	8.3
127.03912	1.5
134.09604	2.2
135.05576	0.6
135.06471	3.5
135.10132	10.5
136.06152	100.0
137.04555	0.5
143.01581	1.7
145.04967	0.8
147.04382	23.5
148.06053	0.6
148.80960	0.4
151.16989	0.4
152.06993	0.7
152.10657	2.6
154.23724	0.4
161.02579	0.4
164.05615	7.3
178.07132	3.7
179.03638	0.4
211.14400	0.5
296.08047	3.2
314.08966	7.6
314.12082	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.123
Annotation	Menisdaurin
Peak:m/z	Relative Intensity
53.03933	1.0
56.96544	1.7
57.03395	0.4
63.08190	0.4
64.28758	0.4
69.03410	1.6
69.07055	0.8
70.84193	0.3
77.03852	0.4
77.54705	0.3
78.21426	0.4
79.05465	15.7
84.49213	0.4
85.02879	3.0
90.40294	0.4
91.05453	3.2
92.09328	0.9
95.04940	39.1
97.02874	1.5
98.97566	2.4
107.04929	100.0
116.98607	0.9
119.04916	12.3
125.05967	0.4
134.99573	0.6
135.04381	89.4
136.04688	0.6
145.06471	0.8
147.04375	31.5
152.01608	2.4
152.07030	83.9
153.00661	0.4
164.04163	0.5
197.06000	1.5
199.00307	0.4
215.07047	0.5
227.70149	0.5
245.16263	0.4
249.22899	0.5
261.07443	0.5
290.94592	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	314.0918
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00289	0.2
53.39053	0.2
55.01858	0.3
55.05495	1.6
56.96557	0.3
57.03426	5.8
57.51791	0.2
61.01126	1.4
61.02916	0.6
62.05845	0.2
62.06077	3.2
68.23996	0.2
69.03409	3.8
69.07044	1.7
70.06573	1.1
71.04613	0.3
71.04977	8.0
71.80441	0.2
73.01161	0.3
73.02885	1.0
73.06531	3.9
75.04445	2.1
75.08791	0.2
79.05488	0.3
81.03388	0.6
81.07037	5.6
85.01138	0.3
85.02886	7.4
87.04446	0.3
89.05475	0.3
89.06010	7.4
91.03947	0.4
91.05458	2.0
94.04038	0.3
95.06033	0.3
96.03599	0.3
97.02866	46.0
98.09612	0.3
99.04453	1.0
99.08069	27.3
99.56945	0.3
103.03918	1.4
109.02888	0.3
115.02118	0.3
117.05464	2.8
117.09106	14.8
119.03550	0.5
119.04919	5.6
127.03891	0.4
135.05481	0.5
135.06491	2.8
135.10136	5.2
136.06160	100.0
137.04536	1.3
143.01619	1.3
145.04926	0.5
147.04387	15.3
148.06158	1.1
152.07062	0.6
152.09268	0.3
152.10703	1.4
161.02594	0.6
161.04633	0.3
162.07751	0.4
164.04277	0.4
164.05647	8.9
178.07205	3.2
179.03694	1.1
180.08879	0.3
215.93484	0.3
250.09138	0.4
278.07040	0.3
296.08005	2.7
297.36755	0.3
314.09076	8.7
314.12192	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55461	5.3
53.03931	7.1
55.05499	47.0
56.02290	6.1
57.03426	6.8
57.07058	39.4
60.54836	6.8
67.05494	37.0
69.07047	48.5
71.08601	16.2
79.05476	37.4
81.07040	100.0
82.40348	6.6
82.50520	6.2
83.08595	8.3
85.10139	7.3
91.05470	34.7
93.07015	74.5
95.08570	69.6
95.77844	6.7
97.06519	7.4
97.10108	9.3
98.97543	10.9
105.07017	67.3
107.08567	41.7
109.06514	8.3
109.10124	45.4
113.44935	6.6
115.76255	6.1
116.98600	16.1
119.08530	55.2
121.10143	31.0
123.11641	9.3
130.97223	6.5
131.08517	15.8
133.10155	14.5
134.99657	12.9
135.11707	11.5
143.14542	7.5
144.73891	10.9
145.10107	47.2
146.88887	8.5
147.11697	16.3
149.13184	7.5
157.10103	27.8
159.11682	34.2
161.13199	14.8
171.11678	8.4
173.13242	8.5
183.11644	10.0
187.14726	8.9
290.94736	10.8
295.24176	41.6
312.32581	31.4
313.21826	15.2
313.24567	71.2
313.32895	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	313.2733
Annotation	Unknow
Peak:m/z	Relative Intensity
50.43227	1.4
53.00291	2.9
54.53999	1.6
54.81448	1.6
55.05504	17.7
56.96555	2.8
57.03430	35.7
57.07070	85.2
64.72141	1.8
66.65635	1.4
67.05491	18.8
69.07050	12.9
71.08619	43.1
79.05457	2.2
81.07031	20.8
83.08611	15.4
85.10174	17.1
89.06017	3.1
92.08565	4.3
93.07028	3.2
95.08592	27.4
97.10123	3.3
97.13934	2.0
98.97575	19.5
103.07591	2.5
105.06981	3.0
109.10136	11.5
116.98596	11.9
122.28149	2.0
123.11669	3.0
134.99623	12.2
137.13261	2.3
153.95741	1.9
179.74982	2.2
181.58745	2.3
192.36894	1.7
196.88680	2.0
206.82797	2.1
257.24820	2.2
271.59024	1.9
290.94672	4.1
313.27319	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2522
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19102	1.8
52.17375	1.8
53.03951	4.1
55.01862	3.9
55.05509	24.0
56.96564	3.6
57.03417	2.0
57.07067	5.3
63.00592	2.1
63.02501	2.1
67.00404	2.2
67.05499	37.2
69.07054	16.4
76.55772	3.2
79.05476	23.9
81.07040	100.0
83.08605	4.9
85.06521	35.0
87.84433	2.6
91.05455	43.4
92.05805	2.4
93.07021	91.1
95.04958	11.2
95.08584	82.9
97.06526	2.9
97.10156	4.4
98.97569	6.0
99.08067	3.6
105.07018	75.7
107.08569	68.6
109.10128	30.4
111.08088	9.5
114.07635	3.0
116.98590	11.2
117.06972	5.0
119.08549	74.5
121.06485	2.9
121.10103	45.5
123.11665	5.1
129.06996	3.7
131.08501	31.7
133.10094	33.9
134.99661	5.9
135.11646	16.0
138.26117	2.3
142.07738	5.6
143.08528	20.7
145.10106	52.5
147.11658	30.6
149.13258	11.3
157.10097	30.6
159.11644	61.1
161.13252	14.1
164.48384	2.9
166.59389	2.4
169.10123	11.3
170.10774	2.6
171.11623	19.4
173.13277	28.1
175.14772	5.2
183.11707	4.9
185.13257	15.0
187.14807	14.7
189.16376	4.1
197.13295	5.6
199.14801	23.2
201.16409	18.4
203.17969	3.6
211.14836	6.1
213.16309	21.4
215.17892	20.9
225.16418	3.3
227.18007	5.1
239.17896	13.6
253.19548	4.3
255.21013	5.8
264.49930	2.4
267.21039	3.9
269.22549	2.9
290.94592	2.7
295.24155	57.0
313.25110	80.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	313.2523
Annotation	Unknow
Peak:m/z	Relative Intensity
51.55461	5.3
53.03931	7.1
55.05499	47.0
56.02290	6.1
57.03426	6.8
57.07058	39.4
60.54836	6.8
67.05494	37.0
69.07047	48.5
71.08601	16.2
79.05476	37.4
81.07040	100.0
82.40348	6.6
82.50520	6.2
83.08595	8.3
85.10139	7.3
91.05470	34.7
93.07015	74.5
95.08570	69.6
95.77844	6.7
97.06519	7.4
97.10108	9.3
98.97543	10.9
105.07017	67.3
107.08567	41.7
109.06514	8.3
109.10124	45.4
113.44935	6.6
115.76255	6.1
116.98600	16.1
119.08530	55.2
121.10143	31.0
123.11641	9.3
130.97223	6.5
131.08517	15.8
133.10155	14.5
134.99657	12.9
135.11707	11.5
143.14542	7.5
144.73891	10.9
145.10107	47.2
146.88887	8.5
147.11697	16.3
149.13184	7.5
157.10103	27.8
159.11682	34.2
161.13199	14.8
171.11678	8.4
173.13242	8.5
183.11644	10.0
187.14726	8.9
290.94736	10.8
295.24176	41.6
312.32581	31.4
313.21826	15.2
313.24567	71.2
313.32895	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	313.2371
Annotation	9,10-Epoxy-13-hydroxy-11-octadecenoate
Peak:m/z	Relative Intensity
53.00309	1.4
53.03919	2.0
55.01861	6.5
55.05506	18.3
57.03428	1.6
57.07056	10.8
59.04966	1.4
61.50888	1.4
67.05493	30.1
69.03394	2.9
69.07052	20.0
71.04956	7.7
71.08587	1.6
71.57147	1.4
79.05478	21.0
81.03403	15.7
81.07037	34.6
82.79364	1.4
83.04948	9.7
83.08611	9.2
85.02905	1.9
85.06518	3.3
85.10154	18.5
91.05482	14.2
92.08752	2.6
93.07021	21.4
95.04948	20.4
95.08607	15.9
96.03318	1.6
97.06486	2.9
97.10136	3.3
98.97543	3.9
105.07005	13.8
107.04954	3.3
107.08578	10.7
109.06480	3.6
109.10133	17.1
113.05969	1.6
113.09617	9.7
116.98544	5.6
117.06997	2.9
119.08530	6.8
121.10136	8.0
123.08028	3.5
123.11715	2.8
125.09617	2.0
131.08507	2.8
133.10118	9.0
134.99619	2.4
147.11667	3.4
149.09627	3.1
149.13181	1.9
150.45569	2.0
151.11156	3.5
165.12715	28.9
217.86320	1.6
277.21570	33.0
295.22617	100.0
321.75443	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	313.2369
Annotation	Unknow
Peak:m/z	Relative Intensity
50.06819	1.8
54.81349	2.6
55.05502	17.2
57.07059	8.0
67.05492	35.3
68.32730	1.7
69.03410	3.7
69.06708	3.0
69.07052	51.1
71.04962	5.0
73.21387	1.8
79.05465	14.8
81.07033	55.6
83.04971	2.3
83.08592	11.8
85.02882	8.5
85.06528	65.2
88.59211	2.1
91.05460	14.2
93.07018	67.8
95.04922	4.8
95.08582	100.0
97.02860	2.9
97.06484	3.5
97.46364	1.9
99.08070	3.2
105.07001	10.6
107.08577	50.7
108.40124	2.1
109.06500	3.8
109.10137	69.0
111.08038	12.9
114.49976	2.1
119.08530	8.5
121.10110	27.5
123.08071	3.0
123.11678	32.5
125.09568	4.6
130.81602	1.9
133.10133	8.8
135.11676	9.0
145.10124	2.3
147.11642	8.9
149.09731	2.0
149.13231	90.5
151.03868	2.2
151.11037	2.4
153.09113	2.1
157.50636	2.1
161.13235	3.2
167.14273	47.5
175.14803	3.7
203.14214	2.3
231.21036	4.2
259.20526	4.6
277.21536	16.1
290.10049	2.1
295.22571	13.2
330.61993	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	313.2369
Annotation	(7S,8S)-DiHODE
Peak:m/z	Relative Intensity
50.06819	1.8
54.81349	2.6
55.05502	17.2
57.07059	8.0
67.05492	35.3
68.32730	1.7
69.03410	3.7
69.06708	3.0
69.07052	51.1
71.04962	5.0
73.21387	1.8
79.05465	14.8
81.07033	55.6
83.04971	2.3
83.08592	11.8
85.02882	8.5
85.06528	65.2
88.59211	2.1
91.05460	14.2
93.07018	67.8
95.04922	4.8
95.08582	100.0
97.02860	2.9
97.06484	3.5
97.46364	1.9
99.08070	3.2
105.07001	10.6
107.08577	50.7
108.40124	2.1
109.06500	3.8
109.10137	69.0
111.08038	12.9
114.49976	2.1
119.08530	8.5
121.10110	27.5
123.08071	3.0
123.11678	32.5
125.09568	4.6
130.81602	1.9
133.10133	8.8
135.11676	9.0
145.10124	2.3
147.11642	8.9
149.09731	2.0
149.13231	90.5
151.03868	2.2
151.11037	2.4
153.09113	2.1
157.50636	2.1
161.13235	3.2
167.14273	47.5
175.14803	3.7
203.14214	2.3
231.21036	4.2
259.20526	4.6
277.21536	16.1
290.10049	2.1
295.22571	13.2
330.61993	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	313.2134
Annotation	(Z)-Guggulsterone
Peak:m/z	Relative Intensity
55.05484	3.6
57.07063	2.4
59.11889	2.5
60.71601	2.2
61.35226	2.3
63.94600	2.3
65.38422	2.7
67.05486	5.0
69.07032	3.1
70.79464	2.4
79.05463	6.1
81.07055	19.7
85.06536	3.5
91.05473	10.4
93.07000	12.8
95.08569	6.8
98.97551	5.5
105.07028	10.9
107.08570	3.9
116.98588	3.0
119.08562	4.4
121.10121	2.5
131.08539	4.1
134.99594	3.8
135.07249	3.0
143.08614	2.8
174.00783	3.4
179.59795	3.1
199.14772	3.5
213.16333	3.0
272.65598	3.2
313.21341	100.0
313.24841	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	313.2135
Annotation	(Z)-Guggulsterone
Peak:m/z	Relative Intensity
55.55275	0.5
65.77230	0.5
71.74920	0.5
72.24693	0.7
81.06999	0.6
98.08234	0.6
98.97553	2.2
113.96830	0.6
116.98598	1.4
127.58238	0.6
151.38388	0.8
152.01411	0.6
158.48625	0.6
199.49327	0.6
313.21320	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	312.3257
Annotation	SCHEMBL10213257
Peak:m/z	Relative Intensity
54.81603	1.8
55.05498	20.7
57.07058	7.9
62.06072	10.2
67.05497	1.5
69.07065	19.8
69.07388	2.7
83.08607	11.3
92.08592	2.4
93.07034	2.2
95.86731	1.9
108.61510	2.0
123.10125	1.7
149.18747	1.8
209.24353	2.0
294.31671	2.5
312.32547	100.0
326.85733	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	313.1642
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.3
54.18606	0.8
55.05499	2.5
56.96561	4.5
57.03425	1.5
57.07058	4.1
61.02890	1.3
62.52084	1.0
66.20080	0.9
67.05494	12.9
69.03416	16.0
69.07055	75.2
71.04978	5.7
73.85743	0.9
79.05479	6.2
81.03417	1.0
81.07039	48.8
83.04964	7.0
85.02896	12.4
91.05455	4.3
93.07026	12.2
95.04967	4.7
95.08582	13.3
97.02876	5.7
98.97579	1.5
99.04404	1.1
103.05466	1.6
105.07026	5.4
107.04980	1.5
107.08575	9.0
109.06521	1.8
109.10138	10.3
120.07282	1.9
120.08086	34.8
121.10094	13.6
123.08070	1.7
123.11687	100.0
126.92534	1.0
127.03913	2.4
131.08600	1.2
147.04404	2.3
148.04832	1.8
149.09631	2.1
151.11157	16.4
166.21497	1.0
167.07127	1.2
169.12141	1.5
192.25201	1.0
225.05663	1.2
230.11935	1.0
313.16235	2.0
319.04495	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	312.1074
Annotation	Unknow
Peak:m/z	Relative Intensity
50.57346	0.1
51.32574	0.1
51.32800	0.1
53.03935	0.1
61.28029	0.1
61.68268	0.1
65.03919	0.7
69.03406	0.5
69.07047	0.2
79.05465	0.2
81.07050	0.3
85.02901	0.3
91.05453	14.3
93.06993	0.5
94.07304	0.2
95.04945	0.2
95.08567	0.2
97.02887	0.2
105.06989	0.2
109.10079	0.1
119.04910	40.4
120.08105	0.2
121.10091	1.3
122.10458	0.6
123.11616	0.2
125.96434	0.2
135.04391	0.2
147.04379	100.0
150.09067	0.2
164.04161	0.2
164.06981	0.2
169.07538	0.2
183.99146	0.2
211.92155	0.1
218.99214	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2941
Annotation	2Z-Phytenic Acid
Peak:m/z	Relative Intensity
50.51367	0.9
54.46580	0.8
55.05502	35.7
55.39514	0.8
57.06850	0.9
57.07069	15.3
61.95323	0.9
64.62987	0.8
67.05486	35.2
69.03386	0.8
69.07053	61.2
71.08595	4.6
76.16113	0.9
79.05463	11.2
81.07036	100.0
83.08606	25.6
85.06514	9.9
85.10171	1.5
91.05461	1.9
93.07025	14.0
95.08582	82.8
97.10153	17.1
98.97551	1.0
98.98443	1.1
99.08064	5.5
102.88269	1.0
107.08566	11.3
109.10137	42.9
111.11695	6.1
119.08533	1.1
119.86960	1.0
121.10110	6.4
123.11684	19.3
125.13265	4.1
135.11667	7.4
137.13237	6.7
137.54381	0.9
140.86464	1.2
147.11623	1.1
149.13234	9.3
151.14859	4.8
163.14789	1.9
165.16406	2.6
186.01006	1.0
192.13136	1.2
193.19574	0.9
208.19415	1.0
266.51700	1.0
275.27240	4.0
293.28314	5.4
311.29391	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	311.2941
Annotation	Unknow
Peak:m/z	Relative Intensity
54.14137	1.3
55.01860	3.0
55.05265	2.2
55.05503	38.1
55.26975	1.1
56.96556	1.9
57.03408	1.5
57.07075	13.4
65.06409	1.3
67.05492	36.9
69.07053	60.2
71.04964	2.0
71.08617	6.5
79.05480	23.0
81.03416	1.7
81.07042	100.0
82.34785	1.4
83.04954	7.5
83.08603	29.4
85.06529	12.8
91.05466	6.0
93.07030	19.5
93.72297	1.4
95.04954	17.5
95.08591	77.4
97.06503	1.3
97.10152	19.3
99.08064	5.6
105.07011	9.0
107.04938	2.5
107.08572	21.0
109.06545	1.3
109.10139	44.7
111.04432	5.3
111.08044	2.1
111.11695	8.9
117.06976	1.7
119.08541	3.2
121.10114	7.7
123.11684	19.1
125.09593	3.3
125.13236	1.8
131.05011	1.9
131.08582	2.3
135.11664	7.3
137.13237	3.3
143.14325	1.4
145.10138	2.7
149.09612	2.3
149.13261	6.5
151.14839	5.0
159.11729	2.1
163.11122	3.0
163.14853	2.0
179.17961	1.7
215.05864	2.3
223.13268	2.6
275.19962	10.3
293.21048	8.4
293.28226	3.2
311.29437	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	311.2367
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88797	6.7
54.89914	6.4
55.05499	16.6
57.07055	40.2
59.88603	5.4
67.05479	45.1
69.07047	49.9
79.05462	28.8
81.07031	33.0
87.23352	7.1
91.05457	40.4
93.07027	86.9
95.04939	46.8
95.08591	94.1
97.06497	10.8
105.07019	74.7
107.08562	35.5
109.10152	11.0
111.04395	11.8
111.67716	7.8
114.37760	7.5
117.06998	14.0
119.08546	65.1
121.10100	16.4
125.05946	7.0
131.08545	11.3
133.10100	30.4
135.08020	11.0
141.64540	9.4
143.08527	14.0
145.10086	16.8
147.11615	7.9
153.05423	10.0
156.31039	7.0
157.10066	11.4
159.11609	41.9
168.00429	7.5
181.12375	8.5
185.13284	12.1
191.10649	12.2
197.13100	7.3
201.16376	6.9
209.11673	100.0
237.11211	36.9
326.67224	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	311.2214
Annotation	12S,13S-Epoxy-9S-hydroxy-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
52.18302	5.7
55.01868	10.9
55.05502	95.1
57.03407	6.8
67.05489	62.2
67.31551	4.9
67.48399	4.8
69.07060	29.1
69.41277	5.5
71.04948	8.4
71.08614	8.8
76.43327	6.1
79.05472	55.6
81.03399	12.6
81.07032	71.3
83.04965	13.5
83.08595	49.9
91.05444	37.7
93.07014	32.8
95.04958	44.2
95.08583	15.7
97.06519	6.5
97.10143	31.1
105.07011	31.8
107.04934	7.0
107.08583	39.3
109.06459	7.9
109.10125	13.3
110.76605	5.9
111.04427	10.6
117.07008	7.7
119.08541	12.6
125.09626	15.2
131.08476	11.1
133.02931	7.3
145.10089	9.6
147.11717	9.6
149.09598	8.6
156.52220	6.4
163.11122	14.0
189.11191	10.5
195.13708	7.4
195.69354	6.8
249.29272	6.2
251.07292	7.0
275.19977	24.3
293.21005	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
52.46976	1.3
53.03926	2.8
53.95063	1.1
55.01870	11.7
55.05504	21.7
55.05740	2.0
57.03426	1.8
57.07066	24.2
65.03940	1.4
67.05490	44.0
69.03409	2.2
69.07056	28.7
70.04063	8.0
71.04984	2.8
71.08607	2.0
79.05476	39.9
81.03391	3.6
81.07037	100.0
83.04977	10.6
83.08614	7.5
85.06516	2.3
91.05457	28.8
92.08586	3.2
93.07021	37.1
95.04931	14.4
95.08582	34.5
95.28983	1.5
97.06506	9.7
97.10159	1.8
99.08099	1.9
100.73641	1.4
103.05433	1.7
105.07014	34.4
107.04941	15.6
107.08566	20.5
109.02895	2.2
109.06502	17.7
109.10152	12.2
111.04433	9.7
111.08051	3.5
117.06997	9.1
119.08567	24.4
121.06463	5.0
121.10148	14.7
123.08036	11.7
123.11679	7.0
125.05985	2.3
129.06998	2.1
131.08545	16.9
133.10089	17.1
133.40945	1.5
135.08044	5.4
135.11700	8.6
137.09619	3.4
140.61868	1.6
143.08522	1.9
145.10104	11.1
147.11726	16.7
149.02307	7.2
149.09619	7.0
149.13324	3.1
153.05473	8.0
157.10162	2.2
159.11649	11.2
161.13199	2.5
163.11206	6.3
165.12779	2.8
169.10002	1.7
173.13156	2.3
175.14705	1.6
179.57439	1.5
181.12189	3.5
191.10663	6.2
193.04927	9.0
209.11691	38.4
237.11171	14.4
247.20554	2.2
255.12256	7.3
257.19019	3.0
275.20044	31.3
293.20959	13.7
311.15244	2.3
311.18640	3.5
311.24335	2.7
311.74353	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2212
Annotation	9(S)-HpOTrE
Peak:m/z	Relative Intensity
53.03931	5.9
54.82072	3.7
55.01858	25.1
55.05503	59.9
57.03437	8.2
57.07061	53.9
57.22948	2.9
58.53196	2.9
61.56697	3.2
65.03923	4.6
67.05144	4.1
67.05495	100.0
69.07050	45.0
71.04977	4.9
71.08622	4.2
71.36912	3.0
79.05477	77.2
81.03421	14.1
81.07039	99.2
83.04975	35.8
83.08607	25.9
85.06551	7.0
86.77032	3.4
91.05456	75.8
92.09312	12.7
93.07032	90.6
95.04956	47.0
95.08582	78.3
97.02874	3.2
97.06518	16.4
97.10150	4.6
103.02943	3.4
105.07018	95.4
107.04913	25.6
107.08582	54.2
109.06497	18.4
109.10156	50.7
111.04404	27.8
111.08069	15.1
117.07018	27.2
119.08553	63.5
119.43769	4.2
121.06455	5.5
121.10123	35.4
123.08042	8.5
123.11697	6.2
125.05994	8.6
128.06258	4.3
129.06999	14.7
130.07805	3.9
131.08560	41.0
133.10106	44.2
135.07988	6.9
135.11668	17.8
137.09581	15.0
143.08517	8.2
145.10104	47.0
147.11678	18.2
149.02324	6.4
149.09624	29.0
151.11143	7.0
153.05464	21.5
155.08505	5.1
157.10117	8.5
158.80116	3.7
159.11714	32.4
159.35046	4.1
161.13159	5.1
163.11154	31.4
169.10097	7.4
171.11664	6.7
173.13239	7.2
181.12167	6.7
183.11583	3.5
187.14738	4.8
191.10722	18.6
193.04999	16.6
197.13248	5.8
199.14844	6.2
200.20024	4.0
209.11670	93.6
209.13400	5.6
237.11104	44.9
239.17960	15.9
255.12312	13.0
257.18851	14.0
275.20047	59.8
293.20969	33.0
311.23657	34.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	311.2213
Annotation	Porrigenic acid
Peak:m/z	Relative Intensity
51.75182	0.3
53.03930	1.5
53.62880	0.3
54.81925	0.4
55.01861	8.2
55.05504	16.6
55.33628	0.3
55.77131	0.3
56.45369	0.3
57.03410	1.7
57.07063	34.9
64.30587	0.3
65.03907	0.8
67.05489	9.4
68.99763	1.7
69.03411	1.8
69.07056	4.6
69.07380	0.6
69.66693	0.3
71.01324	2.1
71.04958	1.8
71.08617	0.3
73.02890	0.5
79.05472	10.8
81.03388	3.2
81.07034	9.7
83.04964	15.7
83.08603	7.6
84.23391	0.3
85.02880	2.0
85.06516	0.4
88.62940	0.3
91.05457	5.7
92.09330	0.4
93.03359	0.5
93.07020	10.7
95.04942	23.0
95.08572	4.9
97.02850	0.7
97.06516	4.1
97.10136	4.7
99.04411	1.7
101.02338	0.7
105.07021	7.2
107.04932	6.7
107.08572	10.2
107.59958	0.4
109.02850	5.6
109.06478	3.3
109.10139	3.0
111.04424	31.8
111.08043	4.8
117.07004	2.9
119.08546	5.0
121.02898	0.3
121.06470	2.3
121.10117	6.5
123.08073	0.7
125.05965	9.3
125.09609	4.4
125.42364	0.4
127.07563	0.5
129.06953	0.7
131.08539	4.3
133.10112	3.0
135.04398	3.8
135.08000	2.1
135.11639	2.9
137.09581	0.8
139.03900	0.4
139.07536	0.5
139.11072	0.7
141.09050	0.8
145.10109	6.5
147.08015	1.9
147.11664	1.7
149.09598	9.2
151.07492	0.4
153.05441	21.6
153.09023	0.6
153.12712	2.0
159.11665	2.1
161.09581	0.4
163.03885	0.9
163.11148	13.6
169.10159	0.4
171.11624	0.6
173.09518	0.8
175.07570	0.7
177.09064	0.5
177.12698	0.7
181.04907	4.8
181.10686	0.7
181.12178	10.9
189.11174	2.7
191.08969	0.8
191.10625	16.3
193.08531	0.7
195.10173	0.4
205.12267	0.7
209.11687	100.0
210.12024	0.6
219.10109	1.4
223.13239	11.0
229.19476	0.4
237.11168	45.5
247.20364	0.5
255.12190	13.4
257.18896	1.5
275.19980	10.3
276.40262	0.4
293.17389	6.4
293.21024	10.6
311.18417	8.9
311.22104	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	311.2211
Annotation	(9Z,12Z,15Z)-(7S,8S)-Dihydroxyoctadeca-9,12,15-trienoic acid
Peak:m/z	Relative Intensity
50.32145	2.3
51.89978	2.6
53.00293	3.2
53.03941	4.2
55.01865	3.2
55.05500	35.1
55.19122	2.3
57.03417	6.2
57.07071	35.3
59.95143	2.7
67.05489	84.8
68.79504	2.7
69.03394	2.8
69.07057	25.6
69.07354	2.9
70.06953	2.8
71.04959	12.2
71.08616	75.7
79.02930	3.9
79.05473	41.7
81.03391	6.7
81.07041	39.2
83.04969	36.3
83.08594	6.9
85.06548	5.3
91.05476	24.1
93.07027	45.3
95.04935	13.5
95.08598	29.9
97.06511	17.1
99.08084	51.0
105.07002	19.6
107.04933	6.0
107.08580	28.1
108.89729	2.8
109.06499	4.8
109.10120	25.9
111.04419	14.6
111.08064	11.9
117.06982	4.8
119.08569	4.8
121.10135	7.5
127.11178	7.0
131.08507	7.4
133.10078	19.0
135.11636	4.7
145.10104	6.3
147.11662	5.7
149.02318	6.5
149.13213	4.9
151.07510	3.6
151.11086	5.6
153.05441	11.9
153.12788	4.2
163.11240	5.1
181.12117	3.2
191.10638	5.4
193.04907	15.1
209.11688	63.7
217.56726	2.9
237.11127	24.9
265.21561	100.0
293.20294	4.4
311.22052	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	311.1978
Annotation	3beta,4alpha-Dihydroxy-13beta-methoxylupanine
Peak:m/z	Relative Intensity
51.10585	1.5
53.00274	1.5
54.08471	1.4
55.05503	36.8
57.03426	17.6
57.07069	33.9
59.56070	1.5
67.05491	8.6
69.07053	46.2
71.08617	11.0
79.05475	8.6
81.07032	12.3
81.22311	1.6
83.04968	2.1
83.08598	27.6
86.82696	1.8
91.05473	2.4
93.07014	10.9
93.40722	1.8
95.08579	7.2
97.06510	2.7
97.10123	13.5
105.06987	3.8
107.08566	3.9
109.10140	3.3
111.04446	7.2
111.11687	3.3
119.08533	2.2
121.10112	8.0
125.06047	2.2
142.13393	1.9
153.05475	4.6
159.11710	2.2
185.73560	1.9
191.10689	8.2
209.11668	33.4
223.93698	2.1
237.11185	12.0
255.12251	3.6
293.17548	2.2
311.19791	100.0
311.25714	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	310.1856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.5
55.01856	0.5
57.03426	19.8
59.06119	0.5
61.02913	0.9
64.32697	0.3
67.05493	0.5
68.35108	0.4
69.03410	2.0
69.07035	0.6
70.57038	0.4
71.04967	2.4
71.08572	0.4
72.05305	0.5
73.02893	0.7
81.03389	1.7
85.02886	14.2
86.03223	1.8
86.43129	0.4
91.03891	0.4
91.05432	0.5
94.91307	0.3
95.08584	11.1
97.02877	2.3
98.97542	1.6
109.02888	0.6
113.09624	100.0
116.98566	0.5
126.67288	0.4
127.03888	1.9
131.10651	32.6
145.02797	0.4
145.04906	0.8
163.03874	2.5
192.35101	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1858
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05491	0.7
57.03424	5.4
61.02906	0.4
62.21042	0.3
67.05486	0.5
69.03416	0.6
70.06561	0.5
71.04987	1.0
72.43165	0.3
73.06535	0.3
74.37099	0.2
79.78130	0.3
81.03400	0.4
81.14017	0.3
85.02888	4.1
88.23890	0.3
93.06999	0.4
95.04970	0.4
95.08582	17.4
97.02870	1.4
98.97546	0.3
105.03363	0.7
109.02859	0.5
113.09624	100.0
117.03374	0.4
123.04404	0.4
127.03854	0.4
131.10652	12.5
136.06133	0.4
139.03893	1.2
145.02835	1.3
147.04427	0.8
147.05550	1.5
148.05850	0.7
157.10342	0.4
163.03865	0.7
177.05411	0.5
177.36571	0.3
191.25742	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1859
Annotation	Unknow
Peak:m/z	Relative Intensity
51.61892	0.3
55.05506	0.5
57.03439	0.5
57.07059	0.4
57.35942	0.3
61.02905	0.5
61.12743	0.3
63.25397	0.3
63.73861	0.3
67.05495	2.1
69.03416	1.8
69.07053	0.4
71.04972	1.5
72.45985	0.3
73.02916	0.6
77.40550	0.3
81.03422	0.4
85.02888	6.9
92.09282	0.5
95.08586	19.9
97.02874	1.1
105.03410	0.4
105.32137	0.3
109.02870	0.5
113.09630	100.0
114.10000	0.3
114.47041	0.3
127.03873	0.7
131.07019	0.7
131.10661	16.7
145.04991	0.4
163.03893	0.6
170.07837	0.4
173.42729	0.3
215.05417	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
55.01856	1.2
56.44352	0.5
57.03425	4.6
57.06809	0.6
57.07067	11.1
59.04982	0.8
61.02909	7.8
67.05489	13.9
69.03415	12.8
69.07053	2.3
71.04971	9.4
73.01292	0.4
73.02892	4.3
81.03380	4.6
84.27613	0.5
85.02888	62.2
85.06525	6.0
87.04446	2.0
91.03933	3.6
93.29049	0.5
95.04940	26.8
97.02869	17.8
97.95817	0.5
99.04425	3.1
99.74189	0.6
109.02846	5.4
113.05988	52.9
127.03899	9.5
131.07014	100.0
145.04936	13.5
148.17436	0.6
149.08066	0.7
163.05974	5.8
206.79724	0.6
293.12177	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	310.1857
Annotation	Unknow
Peak:m/z	Relative Intensity
52.49305	0.5
53.03935	1.0
53.51354	0.6
55.01863	0.8
55.05498	4.0
57.03426	1.3
57.26200	0.5
61.02911	1.1
67.05493	11.4
69.03411	4.3
69.07063	4.8
71.04954	0.7
73.02905	0.8
77.03897	0.8
81.03412	1.1
83.08603	3.3
84.04462	0.7
84.08124	0.8
85.02876	10.9
89.03897	3.6
91.05478	1.1
93.07023	3.5
93.29358	0.7
95.04955	2.7
95.08585	100.0
97.02898	1.5
101.02384	0.6
101.09592	1.2
104.25309	0.8
105.02696	1.3
105.03371	20.8
107.04963	3.0
113.09627	93.9
117.03351	3.1
119.12856	0.7
121.06445	0.8
123.04455	1.4
126.31521	0.7
127.03927	2.6
128.00754	1.4
131.07013	3.0
131.10664	6.8
133.02841	2.8
135.04410	11.4
145.02800	5.7
145.04974	1.4
146.01892	0.9
147.04375	1.3
148.04715	2.5
160.59190	0.6
163.03873	31.1
178.08644	3.2
179.03349	1.1
189.00664	0.7
219.57141	0.6
293.46231	0.7
310.14130	0.7
313.58411	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	310.113
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.2
55.05504	7.7
56.05023	0.2
56.96551	0.3
57.03423	1.3
60.04506	0.9
61.02910	0.3
68.69689	0.2
69.03417	1.0
69.07050	0.3
69.29038	0.2
71.04978	0.4
72.08136	100.0
75.56084	0.2
80.78492	0.2
81.03384	0.3
83.01331	0.2
83.04992	0.2
84.08138	1.4
85.02905	2.2
85.06519	1.6
88.04005	0.2
92.44697	0.3
95.04959	0.3
97.02874	0.4
101.02388	0.4
106.05017	1.3
111.22404	0.2
113.02366	0.8
113.05968	2.1
118.08631	39.7
126.40675	0.2
127.03921	0.3
129.01859	0.3
130.08641	0.9
131.07005	3.1
135.57756	0.3
135.74229	0.2
148.06065	0.3
162.99292	0.2
256.95459	0.2
264.03195	0.3
310.03705	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2421
Annotation	Methyl (10E,12Z,15Z)-9-hydroxyoctadeca-10,12,15-trienoate
Peak:m/z	Relative Intensity
53.03933	6.1
55.01867	3.5
55.05502	30.2
57.03419	6.8
57.07066	3.8
61.77684	1.4
62.70974	1.4
64.33031	1.3
65.03934	1.7
67.05493	76.9
69.07056	25.8
70.28988	1.4
71.04983	7.9
71.08238	3.5
71.08616	72.4
79.05473	71.8
81.03423	12.6
81.07040	76.3
83.04965	25.4
83.08604	12.8
85.06522	4.2
91.05459	37.3
93.07024	100.0
95.04929	18.0
95.08586	56.0
97.06503	14.2
97.10175	3.1
99.08065	38.4
105.07012	24.8
107.04939	10.3
107.08584	44.8
109.06519	3.6
109.10141	16.0
111.08086	1.9
113.09589	2.1
119.08554	24.0
121.10115	30.3
121.85323	2.1
129.07005	4.0
131.08556	3.8
133.10092	16.4
135.11661	34.0
137.09601	3.5
139.11122	1.9
141.09064	3.2
142.11763	1.6
145.10141	7.2
147.11649	3.6
149.13303	6.7
151.11163	24.8
153.12701	6.7
161.13260	11.3
163.11180	7.7
165.12712	3.5
175.14723	2.2
177.12706	3.1
179.12656	3.0
179.14262	95.2
189.12735	3.1
199.14803	2.4
221.15421	2.5
259.20554	4.1
277.21567	64.9
309.24246	7.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2209
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	21.1
57.07048	4.9
64.24310	4.6
66.61510	4.7
67.05495	34.9
69.07063	18.2
79.05478	46.0
81.07035	43.8
91.05444	62.7
93.07015	72.0
95.04968	43.3
95.08595	46.8
97.06480	9.1
105.07016	100.0
107.08585	31.4
109.06454	7.4
109.10143	22.6
111.72479	4.9
117.06977	25.4
119.08549	52.5
121.06494	7.1
121.10120	62.9
129.06981	20.3
130.07797	5.2
131.08549	38.0
133.10081	26.8
135.11626	5.2
142.07776	19.1
143.08546	25.4
144.09325	6.1
145.10083	44.5
147.11681	5.8
155.08546	8.3
156.09291	6.1
157.10114	27.8
159.11691	37.4
161.09641	6.2
169.10063	11.5
183.11623	9.3
185.13181	9.1
207.06161	6.0
209.13371	6.5
227.61705	5.2
281.21927	4.8
309.22095	19.4
309.25677	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	309.221
Annotation	Unknow
Peak:m/z	Relative Intensity
51.97846	2.1
52.39090	2.8
53.03928	3.3
55.01870	4.2
55.05503	18.9
57.03432	4.7
57.07059	4.4
65.03922	3.5
67.05499	32.2
67.27991	2.4
69.07055	16.9
71.04942	2.5
79.05470	39.3
81.03388	2.9
81.07040	46.1
83.05009	3.6
91.05463	51.9
93.07022	78.2
95.04958	52.5
95.08597	40.3
97.06529	6.8
98.98450	43.1
105.07013	100.0
107.08566	36.9
109.06531	12.2
109.10155	18.6
114.31608	2.5
115.05388	3.6
115.17767	2.6
117.06995	19.4
119.04824	3.0
119.08556	66.3
121.06480	13.3
121.10128	61.4
123.08038	6.8
123.11678	4.0
128.06221	13.7
129.06998	18.4
130.07777	11.7
131.08548	35.4
133.10097	26.2
135.11707	3.3
141.06953	5.2
142.07762	22.1
143.08569	32.5
144.09344	12.7
145.10098	38.1
147.11668	14.3
150.51987	3.0
155.08554	18.7
156.09325	12.6
157.10066	32.0
158.10893	6.9
159.11673	29.7
161.13148	4.8
168.09341	4.6
169.10121	16.0
170.10896	5.8
171.11658	15.1
173.13255	6.9
181.10094	4.8
183.11676	5.9
185.13234	11.8
187.11127	4.9
187.14767	14.1
195.11676	7.0
197.13271	5.2
209.13301	4.1
211.14919	3.8
291.20914	3.4
309.21893	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	309.2056
Annotation	Corchorifatty acid B
Peak:m/z	Relative Intensity
53.03946	3.4
54.81829	2.7
55.01868	33.2
55.05506	45.3
57.03424	7.1
57.07071	5.0
59.04996	3.4
67.05487	83.2
69.03413	5.6
69.07053	34.8
71.04976	12.6
71.82712	2.8
79.05469	69.5
81.03403	3.7
81.07038	100.0
83.01313	3.6
83.04949	20.5
83.08598	12.5
85.06528	4.1
91.05461	67.8
93.07017	68.5
95.04939	19.5
95.08581	45.6
97.06525	5.8
99.04433	3.5
105.07011	72.3
107.04927	13.0
107.08585	50.2
109.06523	13.6
109.10143	80.7
111.04429	4.6
111.08067	4.0
117.07022	13.1
119.08595	23.3
119.78143	2.8
121.06490	14.7
121.10125	7.1
121.34524	2.5
123.11701	14.5
129.06940	5.7
131.08557	16.7
133.06436	4.2
133.09157	5.4
133.10107	67.4
135.07990	3.3
137.09595	4.2
143.08575	11.6
145.10066	5.4
147.08029	6.1
147.11679	6.1
149.09630	4.2
151.11156	25.5
157.10153	3.8
161.09584	16.5
165.26988	2.9
169.12241	5.7
203.14177	3.6
245.18958	12.5
263.20062	6.8
273.18329	26.2
291.19449	40.6
309.20508	6.8
333.32889	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	309.2054
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03941	2.3
54.53431	1.8
55.01860	4.5
55.05504	36.7
57.03416	1.9
57.07051	1.8
67.05499	25.6
69.03411	7.3
69.07053	22.1
79.05472	26.2
81.03403	4.0
81.07039	26.3
83.04955	3.2
83.08586	17.2
85.67919	1.7
87.67654	1.8
91.05448	14.5
93.07020	19.6
95.04948	8.6
95.08563	8.6
97.02874	3.1
97.10157	16.9
105.06998	21.4
107.04952	7.5
107.08578	13.0
109.06506	3.9
109.10135	3.1
111.08007	2.1
113.68610	2.0
117.07008	8.2
119.08561	10.4
121.10099	2.9
123.08060	7.8
125.09602	10.4
129.06995	2.6
131.08560	12.7
133.10127	3.7
135.08035	3.3
137.09564	2.1
143.08525	2.4
145.10120	9.7
145.83199	2.2
147.08009	2.3
147.11659	2.9
157.10094	2.3
161.09543	2.4
173.11597	2.1
189.11195	3.2
223.13203	15.6
273.18509	3.1
274.86896	2.0
275.20071	3.9
291.19485	100.0
293.21069	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.2056
Annotation	12,13-trans-Epoxy-9-oxo-10E,15Z-octadecadienoic acid
Peak:m/z	Relative Intensity
53.03924	4.0
55.01865	25.8
55.05492	38.0
57.03418	19.3
67.05491	83.3
69.03413	4.7
69.07038	23.2
71.04964	18.3
79.05470	47.9
81.07035	87.7
83.04950	15.8
83.08607	8.2
85.06553	7.8
91.05460	60.8
93.07024	50.5
95.04949	8.6
95.08571	34.9
97.06481	5.0
99.22530	3.6
105.06997	73.1
107.04952	6.0
107.08569	59.6
109.06486	7.9
109.10130	100.0
111.04409	3.9
115.41021	3.3
117.06985	9.0
117.67597	3.6
119.08549	23.4
121.06470	6.5
121.10114	6.1
123.08046	5.1
123.11709	5.8
131.08517	16.7
133.06442	6.3
133.10098	86.4
145.10074	4.5
147.08018	8.5
147.11642	7.6
149.09572	5.4
151.11159	34.0
159.11693	3.9
161.09579	5.3
169.12187	5.2
245.19034	5.1
263.19843	3.5
273.18359	20.7
291.19418	23.3
304.25089	4.4
309.20462	4.2
327.01944	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
50.44542	0.3
53.03936	0.6
55.05501	4.4
57.03428	16.6
59.04992	2.2
61.02914	3.8
67.05489	0.5
69.03416	3.8
69.07062	1.6
71.01334	2.3
71.04974	33.2
73.02899	7.3
73.06522	0.4
75.04460	11.9
78.93990	0.3
79.05457	0.3
81.03381	0.7
83.04503	0.5
83.04964	6.5
85.02889	100.0
87.04429	2.5
95.04955	0.6
97.02878	5.0
99.04454	1.7
101.05997	0.7
102.77789	0.3
103.03908	0.5
105.03369	0.7
108.47525	0.3
109.02852	0.4
111.04413	3.1
113.40285	0.3
127.03891	2.1
129.05457	15.6
130.06586	0.3
132.65175	0.3
133.02826	1.6
147.06494	9.1
151.69479	0.3
165.07637	0.6
171.06566	0.6
179.03352	0.4
248.13271	0.3
275.48105	0.3
309.11633	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1176
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.9
55.01865	1.0
55.05501	3.6
57.03429	16.2
59.04981	1.6
59.08016	0.6
59.99646	0.6
61.02913	3.2
62.65357	0.5
65.32552	0.7
69.03413	5.7
69.07065	0.9
71.01322	1.5
71.04975	34.5
73.02894	6.8
75.04456	13.3
80.01169	0.8
80.76497	0.8
81.03429	0.7
81.07009	0.8
83.04965	7.0
83.42185	0.6
85.02891	100.0
87.04445	1.5
91.05456	1.5
97.02912	4.6
99.04437	1.0
109.02912	1.1
111.04433	3.4
111.11709	0.6
119.04932	3.1
127.03873	3.0
129.05464	14.7
135.60194	0.6
147.04390	9.6
147.06465	8.6
219.17383	0.7
226.94200	0.7
309.09247	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	308.2216
Annotation	Dihydrocapsaicin
Peak:m/z	Relative Intensity
50.37734	0.1
51.65759	0.1
51.99976	0.1
54.20191	0.1
57.07061	0.7
57.25605	0.1
58.02944	0.3
59.06857	0.1
66.04671	0.2
69.07052	0.3
71.08601	0.7
71.83810	0.1
79.05466	0.7
81.07045	1.3
83.12931	0.2
88.07607	0.2
91.05459	0.4
94.04166	2.2
95.08593	0.3
100.06363	0.2
109.77672	0.2
117.47904	0.2
122.03622	8.2
137.05949	100.0
162.37817	0.2
172.16978	1.2
184.16963	1.6
192.38278	0.2
223.61578	0.2
308.22177	0.3
319.59381	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	309.1174
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01871	0.6
55.05505	4.5
57.03427	14.5
59.04986	2.4
61.02919	3.1
66.48950	0.4
67.05477	0.8
69.03415	4.3
69.07045	6.1
71.01326	1.9
71.04974	36.3
73.02894	7.4
75.04049	0.6
75.04455	11.9
79.05473	0.5
81.03410	1.5
83.04958	7.9
85.02886	100.0
86.03230	0.4
87.04441	2.3
91.05431	0.5
94.64001	0.4
95.04949	0.7
97.02866	4.9
99.04425	1.8
101.06004	1.7
103.03909	0.6
109.02845	0.8
111.04397	3.3
111.11658	0.5
127.03877	2.3
129.05449	14.8
129.12750	0.8
145.04915	0.8
147.06505	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	308.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05501	0.2
57.03403	0.2
67.05489	1.6
68.05811	0.7
69.03389	0.2
69.07050	0.3
79.05440	0.1
81.07030	0.6
85.02878	0.9
91.05443	0.8
97.02905	0.2
97.87913	0.1
98.57896	0.1
99.30489	0.1
109.10143	2.0
110.10467	1.0
111.08015	0.3
117.05726	0.2
118.06474	1.0
119.04915	0.2
127.11179	0.2
129.09076	0.1
146.05980	100.0
147.06310	0.7
250.40170	0.2
308.11157	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	308.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05506	1.6
56.93716	0.2
57.03421	0.2
58.06586	0.3
61.02909	0.3
65.03932	0.1
67.05473	0.3
69.03406	0.7
72.08128	1.1
81.03390	0.3
83.04964	4.6
83.75522	0.1
85.02873	2.3
85.06523	0.2
97.02859	0.3
98.97554	0.2
99.04418	0.7
100.07590	1.0
103.03883	0.2
111.04420	4.7
111.35467	0.2
118.06538	1.1
127.07472	0.2
127.24962	0.2
128.01622	1.0
128.07040	1.0
129.05457	7.0
129.06538	0.8
145.08543	0.2
146.05988	100.0
147.06303	0.4
177.50853	0.2
210.20213	0.2
260.59015	0.2
308.11215	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	307.2266
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	6.0
55.01864	5.1
55.05514	40.4
57.07080	9.1
61.43302	5.0
67.05486	61.8
69.07066	45.1
71.55971	5.0
79.05482	37.5
81.07042	77.8
83.04963	11.2
83.08609	6.7
91.04961	4.7
91.05434	48.2
93.07023	42.5
95.04929	18.8
95.08566	39.6
95.61063	5.6
97.06514	5.3
98.29355	5.2
105.07018	45.2
107.04961	6.8
107.08575	29.3
107.47911	5.9
109.06541	18.5
109.10168	12.6
117.06976	6.6
119.08546	25.2
121.06465	21.3
121.10137	7.9
131.08569	27.3
133.06487	6.2
133.10091	38.7
135.11641	7.8
140.10712	6.4
140.11815	5.9
145.10133	12.6
147.11627	9.9
151.11194	7.5
157.10083	7.4
159.11549	8.6
171.11702	6.1
191.14175	7.0
275.20050	100.0
307.22672	55.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2264
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17607	1.8
53.03942	2.5
55.01836	2.0
55.05496	8.6
59.04102	2.0
67.05486	16.3
69.07043	4.0
74.03829	1.8
79.05471	34.8
81.03424	3.9
81.07037	100.0
83.08617	2.0
91.05460	10.9
92.08652	7.1
93.07008	10.0
95.04936	8.2
95.08577	12.5
105.07021	15.7
107.08553	4.9
109.06489	27.6
109.10140	3.2
115.07802	1.8
119.08542	11.4
121.10125	4.8
123.08050	3.2
133.10074	9.9
135.11650	2.5
145.10130	3.2
147.11649	2.5
149.09560	2.1
149.13179	2.3
159.11685	2.8
189.36900	2.3
261.02991	2.9
275.19992	25.0
307.22559	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	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	5.3
54.48561	2.4
55.01860	16.3
55.05499	38.7
57.03416	3.1
65.03931	2.5
65.04722	2.4
67.05487	90.0
69.03405	4.0
69.07050	36.4
71.04969	3.6
74.09074	2.2
79.05468	66.4
80.17186	2.5
81.03408	11.4
81.07029	100.0
83.04945	11.6
83.08588	6.0
91.05453	63.4
93.07011	68.9
95.04945	24.5
95.08577	46.0
97.06515	5.4
97.10137	4.4
99.08141	2.8
103.05501	2.6
105.04500	2.7
105.07006	66.8
107.04947	6.8
107.08558	30.8
109.06516	20.9
109.10117	29.8
111.08076	3.8
117.00436	2.6
117.06995	17.4
119.08549	52.6
120.71668	2.8
121.06469	4.8
121.10085	25.3
123.08035	13.1
123.11634	3.6
125.09580	3.2
129.06987	3.7
131.08580	19.5
133.10089	30.8
135.08029	11.4
135.11658	5.0
137.09601	16.6
145.10091	16.9
147.11632	20.5
149.09587	10.4
149.13197	3.0
151.11101	3.4
157.10081	5.0
159.08191	2.8
159.11621	5.5
161.13213	4.4
169.10165	2.8
173.13246	10.8
177.12720	13.3
178.13089	5.9
210.37625	2.8
216.94099	3.1
257.18848	3.9
261.02905	5.6
270.23682	2.9
275.20001	43.4
289.21646	5.8
293.17105	2.9
307.22574	26.5
307.28180	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	307.2264
Annotation	[8]-Paradol
Peak:m/z	Relative Intensity
50.43089	1.2
55.01852	2.3
55.05500	14.4
57.07059	9.0
64.67203	1.4
67.05489	11.1
69.07044	9.5
71.04962	2.3
79.05441	6.4
81.07040	18.4
83.04950	1.7
83.08611	5.7
91.05447	2.6
93.07021	11.0
95.04951	12.2
95.08561	11.3
97.06500	3.3
97.10176	1.9
105.06977	7.1
107.08604	2.6
109.06499	100.0
109.10145	1.9
119.08540	3.7
121.06454	2.1
121.10111	3.1
123.08028	3.7
135.11685	1.5
145.10045	3.3
159.11601	2.1
170.24374	1.8
192.63954	1.5
251.16443	14.0
278.35526	1.7
289.21484	9.3
307.19052	2.3
307.22607	68.3
307.30814	2.4
326.18878	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	28.4
55.01852	25.5
55.05505	28.9
67.05483	67.7
69.07043	38.5
72.95248	6.3
79.05468	74.6
81.03392	54.7
81.07034	90.4
83.04964	30.4
83.08604	7.7
91.05450	66.9
92.09365	16.8
93.07016	73.4
95.04961	12.1
95.08591	54.1
96.72669	6.0
97.06504	9.0
97.10184	8.5
105.07007	100.0
107.04942	28.6
107.08582	35.8
109.10104	9.2
117.06994	14.1
119.08552	30.7
121.10155	9.7
131.08545	28.8
133.10091	34.3
135.11655	7.3
145.10080	11.8
149.09586	12.5
162.95013	7.8
177.12767	8.8
223.88335	7.0
275.19958	56.7
307.31146	7.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2015
Annotation	Unknow
Peak:m/z	Relative Intensity
54.00024	0.2
55.05497	0.5
56.58947	0.2
57.07061	0.3
62.66185	0.2
67.05491	0.9
67.66005	0.2
69.07046	1.1
71.04964	0.4
79.05464	1.3
81.07040	3.0
85.02885	0.4
85.06537	0.4
91.05458	1.2
93.07018	1.7
95.04933	0.3
95.08592	2.6
97.06492	0.3
105.07013	3.8
106.93565	0.3
107.08572	1.2
109.10131	1.3
121.10120	1.1
123.11649	0.5
132.08115	0.3
133.08850	11.1
133.09947	0.5
135.11690	0.3
148.11189	100.0
165.09073	1.4
307.17020	0.4
307.20126	6.4
307.26111	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.2011
Annotation	Unknow
Peak:m/z	Relative Intensity
50.17416	0.2
76.10699	0.2
77.41039	0.2
84.24285	0.2
86.20835	0.2
91.05435	0.4
105.07005	3.3
105.68427	0.2
132.08049	0.4
133.08841	9.5
135.63649	0.2
148.11188	100.0
149.11464	0.2
152.50148	0.3
157.38972	0.2
169.39182	0.2
307.20114	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	307.0787
Annotation	Unknow
Peak:m/z	Relative Intensity
51.98958	4.2
56.96564	57.0
59.88197	4.5
77.86291	4.8
79.30975	4.7
84.04488	6.7
87.04440	10.6
100.99112	19.5
104.07110	10.6
107.72755	5.0
110.97546	11.2
119.00202	5.7
126.96973	5.3
127.03892	10.0
144.98141	9.4
146.99638	9.0
150.31181	6.0
162.99065	6.8
163.04640	5.8
164.53227	5.9
190.98633	27.3
208.99681	28.0
288.98706	7.9
307.07532	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	307.0954
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82260	1.6
55.01861	2.3
56.04767	2.1
56.05028	44.8
56.96562	11.8
57.03420	1.3
58.06587	1.1
58.99556	7.9
61.01124	2.1
68.05016	15.6
70.99535	1.9
73.01105	1.7
74.00642	3.2
80.04989	3.3
81.03417	1.7
81.05771	2.5
83.91951	1.2
84.04488	68.7
85.02892	2.4
85.06516	1.3
86.00654	2.7
86.99032	7.9
87.02662	5.5
88.02172	7.0
88.03944	6.2
90.86688	1.0
92.09288	2.6
94.06548	18.1
96.04461	7.1
96.08117	2.7
97.01096	5.5
97.02893	1.8
99.04375	1.4
100.99117	3.1
101.37031	1.5
103.03905	1.4
105.00047	6.3
109.02834	2.6
110.97612	1.9
112.07608	9.4
114.03734	44.1
114.05510	50.7
115.02125	1.9
116.94566	1.4
120.01084	1.8
122.06001	7.6
124.07540	6.5
126.05505	2.9
127.03868	5.7
128.98526	1.8
130.04994	8.5
131.01797	1.6
134.57497	1.3
139.47359	1.3
140.03413	4.8
140.07045	26.3
142.04968	33.4
142.08615	1.5
144.83495	1.5
145.03494	1.6
146.99588	2.3
156.06572	1.3
160.04247	46.8
165.00700	2.3
168.06522	26.8
168.07800	1.9
170.08087	24.6
172.04175	1.6
172.05940	1.5
186.07582	100.0
190.05231	7.2
190.98616	5.8
197.91835	1.3
200.03799	2.8
208.99663	9.1
218.04776	36.2
243.07944	38.6
244.06323	15.9
254.06642	1.9
274.96249	1.3
288.98520	2.7
289.08429	22.2
290.06976	2.5
307.09564	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	307.1385
Annotation	Unknow
Peak:m/z	Relative Intensity
52.38705	0.4
52.76941	0.4
53.03928	0.8
55.01859	0.8
55.05494	2.6
56.96553	0.4
57.03431	4.0
59.04976	0.7
61.02899	2.3
69.03120	0.4
69.03416	6.7
69.47714	0.4
70.02939	5.9
70.06509	0.4
71.01306	0.4
71.04972	2.1
71.08606	3.3
73.02895	0.4
74.02409	0.5
75.38272	0.4
79.05472	4.2
81.03413	3.3
81.07037	22.9
83.04939	0.6
83.46880	0.4
85.02886	23.2
85.06510	2.8
87.04438	0.4
87.78949	0.4
88.03973	2.6
91.03934	0.6
95.04939	0.5
97.02868	5.7
99.04431	0.5
99.08074	6.8
109.02867	2.3
109.06499	21.0
109.10137	0.8
118.06515	0.6
127.03887	2.1
127.07523	21.7
128.04945	2.6
132.04410	2.1
133.53981	0.4
134.04486	0.6
139.03894	6.9
145.04935	2.8
145.08572	28.4
145.09721	1.0
146.05989	100.0
147.06285	0.8
163.03873	0.5
174.05492	7.2
192.06555	0.6
261.08655	1.0
289.08148	1.6
307.09195	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	307.1386
Annotation	Unknow
Peak:m/z	Relative Intensity
50.19738	0.6
50.54835	0.5
51.29238	0.6
54.05012	0.6
55.05510	10.7
56.96551	3.0
57.03423	1.4
57.07067	1.8
59.04991	7.7
59.62518	0.6
64.75714	0.6
65.03895	0.6
65.22833	0.6
67.05490	3.5
69.03398	1.8
69.07046	0.7
73.02866	0.7
79.05460	3.9
81.03402	1.2
81.06600	0.9
81.07046	17.1
82.11269	0.6
83.08618	10.6
85.02895	43.3
85.06532	76.3
96.04483	0.7
97.02882	3.1
97.06535	0.7
101.06042	1.5
101.48142	0.7
103.03929	100.0
109.06501	9.5
110.97533	3.4
112.02245	0.8
114.37189	0.7
127.06618	1.5
127.07540	36.2
128.98595	5.1
139.03844	1.0
145.08582	64.4
146.99609	4.2
167.00208	0.9
175.08630	0.9
185.01241	1.0
240.01793	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	306.1632
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61258	0.3
53.00301	0.5
56.02367	0.3
56.15004	0.4
56.32745	0.3
57.07068	100.0
59.98814	0.7
59.99100	13.8
70.81936	0.3
73.32520	0.3
79.05467	0.7
85.07645	1.4
86.06050	18.6
86.50589	0.3
87.90587	0.3
92.08638	1.0
102.03738	2.6
102.99651	0.6
106.06539	68.1
109.10233	0.3
116.05302	19.6
137.05957	1.5
141.13918	0.3
143.75627	0.3
145.04276	9.7
146.83017	0.3
196.08853	0.4
201.10544	35.7
208.05377	3.9
217.08447	0.4
250.09984	1.5
289.94836	0.4
306.16266	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	306.206
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22902	0.3
51.01811	0.3
53.64316	0.3
55.05922	0.3
55.77478	0.3
57.32580	0.3
59.60170	0.3
60.84006	0.3
61.34352	0.3
69.07042	1.6
80.41150	0.3
91.05470	0.5
94.04147	2.4
107.08562	0.4
109.10083	0.7
122.03633	8.6
135.11659	0.6
137.05952	100.0
177.36533	0.4
182.15373	0.8
265.70734	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.2635
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05486	0.5
56.04809	0.4
56.05035	7.5
57.07067	9.3
58.06588	10.6
60.04504	2.6
68.05011	0.6
70.06567	1.0
71.08606	1.1
72.08140	4.1
74.06057	7.6
75.04477	0.7
78.94075	0.5
85.10159	0.6
86.06044	7.3
87.04443	0.6
88.07611	64.7
88.76717	0.5
89.06002	0.9
92.08555	1.1
98.65789	0.5
100.07590	2.9
104.07080	5.7
110.39089	0.4
115.98265	0.6
118.08613	1.9
128.36916	0.4
132.10187	19.0
162.11237	3.9
162.12402	0.5
166.10721	3.4
182.19063	0.5
200.20140	0.7
214.21626	57.8
216.87469	0.5
226.21609	2.0
258.24207	19.5
288.25369	2.4
306.26321	100.0
307.27008	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.1181
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03935	5.6
55.01870	1.7
55.05505	13.9
55.93495	1.5
57.03419	8.9
61.02919	9.4
69.03414	26.4
70.06568	1.9
71.04969	10.2
71.92985	1.2
72.38853	1.0
72.93761	2.1
73.02916	1.5
73.06534	19.3
74.02404	1.3
81.03397	14.2
83.04957	5.5
84.08116	1.6
85.02887	100.0
85.36051	0.9
86.02412	5.6
87.04442	1.9
90.94816	1.5
91.03954	1.0
92.09236	1.0
97.02866	35.0
98.06043	2.0
99.04435	14.0
103.03905	1.9
107.04917	0.9
109.02864	13.8
110.02396	2.2
112.03953	1.1
112.07590	1.2
116.07066	15.0
125.37954	0.8
126.05499	10.5
127.03881	16.9
140.07068	1.6
144.06537	41.3
145.04930	12.6
158.08084	5.3
160.07515	1.2
182.08035	1.1
186.07561	9.6
188.65245	0.8
191.97226	1.1
198.27818	0.9
210.07625	3.6
234.07672	1.1
252.08582	0.9
306.11893	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	306.1181
Annotation	Passiguatemalin
Peak:m/z	Relative Intensity
53.03938	4.2
55.01861	4.5
55.05506	9.3
55.93501	1.5
57.03424	7.4
60.04521	1.4
60.37922	1.2
61.02916	7.5
69.03419	26.6
69.03770	2.0
70.06570	4.3
71.04973	10.1
72.93777	1.3
73.02908	4.6
73.06542	21.1
81.03403	14.3
83.04974	10.1
84.08139	5.4
85.02890	100.0
86.02420	7.2
87.04494	2.0
88.83411	1.3
89.97312	1.0
91.03909	1.9
93.97895	1.2
96.04485	2.1
97.02873	37.7
98.06034	2.2
98.94290	1.0
99.04433	14.8
102.89472	1.2
103.03971	1.7
109.02875	12.1
110.02396	2.8
112.07588	2.4
116.07085	17.0
120.16422	1.2
124.03897	1.0
126.05512	9.9
127.03909	15.0
127.58524	1.0
135.47459	1.1
140.06973	2.1
144.06534	41.9
145.04942	9.2
158.08138	5.7
186.07570	9.5
188.07100	1.7
210.07608	2.2
226.35541	1.2
252.08531	2.1
306.11926	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0968
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	0.5
54.81658	0.7
55.01866	1.4
55.05487	0.8
57.25626	0.5
59.43610	0.5
65.03923	0.6
67.05479	3.5
68.99764	3.0
69.03375	1.0
70.06568	0.6
75.17013	0.7
77.03912	1.2
79.05464	0.8
81.03413	0.7
81.07013	0.9
83.01315	0.8
85.02885	1.0
85.06522	0.7
86.09613	0.6
89.03890	0.9
93.03368	0.8
95.04942	10.9
97.02856	0.9
103.05447	0.9
105.03365	2.9
107.04925	3.2
111.00780	0.7
111.04383	0.9
115.05455	0.7
117.03351	3.7
123.04405	100.0
126.03731	2.7
131.04910	3.6
133.06451	0.7
135.04382	7.3
136.22093	0.7
139.03882	36.3
141.07008	1.2
145.02815	4.1
145.06361	0.8
149.02306	1.0
149.06026	0.7
151.03897	6.7
157.06435	0.8
159.04376	5.2
159.58598	0.6
161.05974	1.2
163.03877	20.9
169.06398	0.8
177.05400	1.5
179.03392	0.7
183.04248	0.6
185.06012	1.1
187.03831	4.2
197.05954	3.3
205.04912	3.7
225.05498	0.9
243.06503	0.9
246.19409	0.5
271.05896	1.3
288.05954	0.6
289.07019	22.2
306.15985	3.0
319.59039	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	306.0736
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.7
56.96553	1.2
57.03425	2.2
61.02906	1.5
69.03416	6.4
69.14224	1.0
70.06567	1.2
71.04976	1.6
74.06045	1.8
79.05473	1.2
81.03397	2.5
81.07034	2.4
85.02884	16.0
85.06536	1.2
90.03428	4.0
93.06986	1.2
97.02867	2.4
99.00019	1.5
105.07018	1.3
109.02864	1.4
115.72072	1.1
117.63738	1.0
123.04381	1.1
125.09650	2.2
126.01044	100.0
126.05489	4.4
126.09968	1.2
127.01817	1.3
127.03888	4.0
128.02629	1.8
139.03883	4.8
140.22520	1.1
143.10664	2.2
144.02083	61.5
144.10167	1.5
146.05997	12.3
186.03194	1.4
188.06902	1.2
199.38806	1.1
201.07896	1.0
234.92558	1.2
264.29907	1.1
325.62671	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.2321
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	33.1
56.96548	6.6
57.03406	3.5
57.07047	5.3
58.70167	2.9
67.05152	3.4
67.05494	97.7
69.07049	25.5
69.86151	2.7
71.04963	15.4
79.05466	41.2
81.07036	100.0
83.04954	5.9
83.08603	16.2
85.06515	5.4
91.05451	20.4
93.07024	51.7
95.04939	5.2
95.08590	99.9
97.06502	6.2
97.10133	4.3
98.40073	3.4
98.97561	7.5
105.06995	14.5
107.04903	3.2
107.08569	28.0
109.06448	3.2
109.10132	51.5
111.11759	4.1
116.98577	5.2
119.08546	17.1
121.10152	33.7
123.11696	14.4
127.03979	4.3
128.98552	4.5
131.08562	16.5
132.87666	3.1
133.10098	21.0
135.11673	19.4
136.66647	3.1
137.09566	3.6
145.10129	11.6
149.09555	4.2
149.13231	13.9
153.01819	4.9
159.11665	4.6
173.13199	3.9
187.14812	3.3
191.17885	19.6
198.23346	3.9
209.18948	5.5
215.17891	17.7
222.30281	3.1
233.18823	4.3
247.63010	3.2
251.20027	15.7
269.20996	15.2
287.05359	23.4
287.22287	3.7
287.98093	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	305.1018
Annotation	(-)-3-[2-(Acetyloxy)propyl]-2-hydroxy-8-methoxy-1,4-naphthoquinone
Peak:m/z	Relative Intensity
53.00242	0.1
54.81934	0.2
55.01846	0.2
55.05486	0.3
55.16592	0.1
59.72230	0.2
67.05473	0.4
69.03407	0.3
69.07034	0.7
69.71220	0.1
79.05469	0.4
81.07023	0.9
85.02862	0.2
91.05462	2.0
93.07007	0.9
95.04932	0.4
95.08557	0.7
97.02861	0.2
103.05431	0.4
105.06982	0.8
105.68202	0.2
107.04866	0.3
107.08581	0.4
115.05409	0.8
116.06190	0.8
117.06984	0.3
119.04877	0.2
119.08557	0.3
121.06470	1.1
121.10095	0.2
122.09646	0.4
128.06204	1.4
129.06984	3.0
130.07678	0.2
131.04889	1.1
131.08533	0.9
132.02087	0.3
133.06432	0.3
133.10063	0.2
141.06926	0.2
142.04129	0.3
143.04869	0.2
144.05675	5.5
145.06497	1.7
145.10107	0.3
146.07259	2.0
147.08043	1.2
148.05112	0.3
151.03860	0.2
151.07480	1.8
155.05980	0.8
157.06453	2.9
157.07611	0.2
157.80940	0.2
158.07239	2.8
159.04381	1.6
159.08023	5.6
160.05223	0.4
161.05917	1.1
161.09633	1.4
165.05434	1.2
167.03682	0.2
170.03604	0.2
171.07990	0.4
171.11638	0.2
172.05161	0.4
173.05977	0.3
174.06725	19.9
175.03896	3.3
175.07527	3.9
177.05409	0.2
184.05199	0.2
185.05983	1.8
187.07483	2.7
189.09071	5.2
201.05443	2.6
202.06203	3.8
205.08517	0.3
215.07040	0.3
217.08562	92.0
218.08850	0.4
219.06543	1.3
230.05661	2.2
234.05318	0.8
245.08034	100.0
246.08330	0.2
287.09097	1.1
289.50305	0.2
305.10150	2.5
305.17255	0.3
307.33264	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	0.5
54.81120	0.3
55.01858	0.8
56.96547	0.7
57.03415	1.9
60.79811	0.3
61.02917	3.6
61.67698	0.3
66.85986	0.3
67.62032	0.3
68.05006	0.5
69.03416	7.7
70.06565	0.4
71.01314	0.7
71.04979	0.5
73.02897	1.3
80.04955	0.4
81.03402	3.7
84.08110	0.4
85.02883	22.0
86.09686	5.7
87.04450	0.6
90.94754	0.4
91.03944	0.7
92.09258	0.4
96.04443	0.8
97.02865	41.0
97.49992	0.3
99.04426	0.8
104.27340	0.4
109.02865	2.2
114.05481	0.4
115.03958	0.4
123.05499	0.7
124.03905	0.5
125.02320	100.0
127.03897	2.9
128.07013	0.3
132.10161	1.4
141.06560	2.2
143.03368	42.2
145.04922	2.4
146.99603	0.4
156.06566	0.4
174.07698	0.4
174.99010	0.7
193.00121	0.7
305.08658	0.7
305.11948	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	305.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	0.7
55.01846	1.2
56.23149	0.3
56.96538	0.3
57.03428	2.9
61.02917	3.1
69.03412	7.5
69.07114	0.3
71.01344	0.5
71.04970	0.4
73.02887	1.0
80.04984	0.4
81.03393	2.7
85.02888	21.5
86.09693	2.7
87.04440	1.0
91.03919	0.6
92.08743	0.4
95.06048	0.6
96.04479	2.8
97.02866	39.4
98.98394	0.3
99.04405	1.4
109.02851	2.1
114.05522	0.4
123.05523	0.4
124.03877	0.5
125.02324	100.0
127.03863	2.9
132.10136	0.4
141.06584	2.1
142.04950	0.5
143.03372	42.4
145.04909	2.1
154.75539	0.3
193.00153	0.6
253.21480	0.3
256.06946	0.3
272.89279	0.3
297.84998	0.3
300.55933	0.3
305.08585	0.7
305.11914	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	305.1017
Annotation	4'-O-Methylcatechin
Peak:m/z	Relative Intensity
53.03929	0.4
55.01862	1.9
55.05498	1.8
56.96550	0.5
57.03426	0.6
58.95348	0.4
64.72115	0.4
67.05483	2.0
68.86714	0.4
68.99763	2.2
69.03399	0.8
69.07044	0.6
72.08127	0.7
79.05468	1.0
81.03387	0.5
81.07021	1.8
83.04968	0.9
84.04507	0.6
85.02878	1.1
86.09699	0.6
87.26138	0.4
90.54614	0.5
91.05440	2.6
93.03382	0.7
93.07005	0.6
94.04160	0.6
95.04943	3.3
97.02865	1.0
103.05424	0.4
105.06998	0.9
107.08575	0.7
109.06492	0.7
111.04411	4.0
115.05399	0.9
116.07101	0.5
119.04932	5.8
120.08126	0.4
121.02887	0.5
122.03613	3.6
122.97247	0.5
123.04400	1.7
125.05994	0.6
125.09576	0.8
125.36046	0.4
127.03913	0.8
133.06464	1.9
137.05952	55.2
137.64244	0.4
139.03882	100.0
141.02127	4.5
143.04910	1.8
143.10600	0.5
147.04384	22.7
151.03908	2.2
153.05484	0.6
160.05183	0.6
161.05942	3.2
163.03810	0.5
175.07536	3.6
177.05510	0.6
179.07002	3.5
183.03259	0.8
189.05475	0.7
193.08597	2.6
203.07001	0.7
221.08058	2.8
305.10129	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	305.1017
Annotation	CHEBI:70629
Peak:m/z	Relative Intensity
52.24971	0.6
53.00291	0.7
53.03937	1.5
55.01860	0.7
55.05498	0.8
56.96560	1.2
57.03415	3.5
58.19301	0.6
64.44601	0.6
65.03915	0.7
67.01852	19.3
67.05493	1.0
68.99422	1.0
68.99776	22.1
69.03407	1.0
69.07050	0.9
71.04976	3.0
75.86198	0.7
79.05463	2.6
81.07043	4.9
83.04970	0.8
85.02901	3.9
85.06524	0.7
91.05469	5.4
93.07029	1.2
94.04141	0.7
95.01285	0.7
95.04956	1.3
95.08584	3.3
98.97565	0.9
99.04430	26.1
101.02362	3.3
101.94418	0.7
103.05444	33.6
105.06994	1.5
107.04942	5.9
107.08553	1.2
109.02866	3.2
109.06487	1.6
109.10144	1.6
110.97652	0.8
111.04358	0.7
113.02377	1.3
115.05445	1.6
116.06216	1.1
117.07020	5.3
119.04915	4.2
121.02840	3.3
122.03677	0.9
127.03891	43.3
128.98549	0.9
129.01830	8.3
129.06995	1.3
131.04903	70.8
135.04376	0.7
136.05174	7.3
137.02318	8.3
137.05952	11.1
139.03824	0.7
139.05446	2.9
141.06963	3.0
143.04861	2.7
143.08469	0.7
144.05659	1.3
145.06464	5.6
146.99684	0.8
147.11543	0.8
149.01164	0.8
150.06732	1.2
151.03886	4.1
151.07513	7.9
152.04735	0.8
155.03363	100.0
159.04407	0.6
160.05203	1.1
161.01158	0.8
161.05977	1.4
162.06750	2.7
163.07509	18.0
167.04953	1.4
167.06979	6.6
168.05721	0.9
169.06436	3.8
169.39204	0.7
171.04488	1.2
171.08052	1.0
175.07527	1.4
177.05466	2.9
177.09082	4.1
184.05180	2.9
185.05949	3.7
186.06744	0.9
189.09024	1.0
191.06972	0.7
197.05962	0.8
199.07495	3.6
201.09030	0.8
202.81322	0.6
203.02235	1.0
203.06990	2.6
205.04977	6.1
212.04620	1.6
213.05411	2.7
217.08595	4.0
219.06445	1.3
227.06999	5.1
229.08516	0.9
244.07132	1.0
245.08040	5.7
246.48091	0.7
255.06499	3.0
260.10446	1.6
263.07980	0.9
273.07526	3.1
287.08896	0.9
305.10138	56.8
311.19565	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
52.37817	0.8
54.81641	0.9
56.96558	0.9
61.52352	1.3
64.19176	1.2
65.03922	4.4
67.01846	1.7
67.05484	1.5
68.99775	6.7
69.03408	6.0
69.07055	1.6
69.20787	1.1
71.04983	1.4
79.05458	5.2
81.03396	1.6
81.07038	2.2
85.02891	4.4
91.05456	2.5
93.07019	1.8
95.04937	6.6
97.02911	1.9
103.05460	2.2
105.03400	1.4
107.04893	1.3
107.08557	1.4
109.02860	1.3
111.04447	8.8
121.02850	14.5
123.04397	84.3
125.09652	2.8
127.03886	5.8
131.04901	2.2
133.02847	2.0
135.04390	4.7
139.03876	8.8
143.10634	2.5
145.06424	1.2
146.99741	1.1
147.04388	2.2
149.01109	2.8
149.02309	77.8
150.03113	1.7
151.03894	2.2
153.01797	100.0
157.06461	7.6
161.02330	6.2
163.03902	1.5
166.09616	1.2
167.03354	11.7
175.07533	2.8
179.03384	1.5
182.26299	1.2
185.05911	12.9
189.05455	1.4
195.02861	11.9
198.04033	1.2
213.05463	18.8
227.06984	1.5
231.06458	51.6
241.04904	8.5
258.05249	2.6
259.05954	37.2
287.05374	12.7
305.06448	10.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0653
Annotation	12-Methoxycitromycetin
Peak:m/z	Relative Intensity
51.63292	0.5
53.03939	1.0
55.01862	4.0
55.05510	5.8
56.96558	0.6
57.03421	1.6
61.02906	1.4
65.03929	1.1
67.01842	1.3
67.05486	1.5
68.99775	7.2
69.03416	8.6
69.07039	1.4
70.06588	0.6
71.04968	3.0
79.05465	3.5
81.03389	3.6
81.07045	3.7
82.63477	0.6
85.02887	11.5
85.06516	2.8
89.03906	2.4
91.05460	1.1
93.07043	0.9
95.01288	1.0
95.04948	3.6
95.08611	0.8
97.02880	4.0
97.06519	0.7
97.10141	4.2
98.97583	1.2
101.02399	0.8
103.05444	0.8
105.03397	2.7
105.07007	2.7
107.04953	3.4
107.08581	2.8
109.02848	2.4
111.04402	3.0
115.05418	1.2
117.03349	1.0
117.07030	0.7
121.02844	15.9
123.04405	51.2
125.09573	6.1
127.03930	5.7
129.06978	3.7
131.04895	1.5
133.02777	0.8
133.06514	1.2
135.04417	4.4
137.02275	1.2
137.05936	4.6
139.03883	9.2
141.06976	1.0
143.04897	0.8
143.07008	1.0
143.10640	8.2
145.06464	0.8
147.04398	5.8
149.02318	100.0
151.03842	1.6
153.01813	56.9
157.06459	9.5
161.02303	1.6
161.05963	1.6
163.03923	2.7
167.03416	5.0
167.04726	1.0
169.06334	0.8
171.02983	4.3
171.04379	1.1
173.06003	0.8
175.03920	3.7
175.07550	3.8
177.05507	0.7
179.03326	1.0
183.02895	0.8
185.05919	19.9
185.07445	1.2
189.05476	1.4
190.02147	0.7
195.02835	1.5
197.05963	2.6
199.03845	0.8
199.08473	0.7
203.03407	10.2
203.07071	3.3
213.05444	24.0
217.04912	1.0
229.04912	1.2
231.06479	91.8
241.04898	14.7
241.41776	0.6
245.04593	1.2
259.05951	79.5
269.04346	5.9
287.05463	37.3
287.08618	1.1
305.06403	2.9
305.14938	0.9
307.10062	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
50.96086	0.6
54.81354	0.5
55.01854	0.7
55.84565	0.6
55.98950	0.5
57.03417	0.6
65.03919	3.8
67.01839	1.2
67.05478	2.5
68.99771	3.8
69.03426	1.0
70.88106	0.6
77.03917	0.7
95.04935	6.7
98.95517	0.6
105.03356	2.8
105.07036	0.7
107.04940	0.7
109.02879	0.6
111.04430	9.1
121.02837	16.4
123.04400	79.5
127.03897	0.8
129.06970	2.4
133.02817	4.1
135.04376	3.4
137.02342	1.4
139.03877	6.2
139.05428	1.4
141.06998	1.2
145.06465	0.7
147.04411	1.2
148.11278	0.7
149.02318	80.8
150.03090	2.6
151.03867	2.9
153.01804	100.0
157.06464	7.7
159.48616	0.6
161.02318	7.1
161.05994	0.8
163.07471	0.8
167.03369	10.8
167.04718	1.5
171.04366	1.0
175.07582	2.2
179.03325	1.4
185.05956	13.7
189.05379	0.9
193.97742	0.6
195.02846	9.6
197.05984	0.9
203.03310	1.1
203.06995	1.1
213.05405	22.1
231.06462	52.8
241.04893	7.3
258.05209	2.6
259.05930	33.7
273.04126	0.8
275.04889	0.9
284.42542	0.7
287.05429	12.6
305.06531	10.2
315.25354	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01855	1.3
55.05492	1.0
55.08902	0.6
58.70767	0.7
65.03918	2.9
66.54906	0.6
67.01839	1.6
67.05483	3.3
68.99768	4.4
69.03397	1.3
69.07045	1.4
77.03902	0.9
79.05489	0.7
81.07049	1.6
95.04957	5.6
97.02891	1.3
105.03357	2.8
105.07005	1.5
107.04940	1.0
109.02859	1.0
111.04419	7.7
115.05483	0.7
116.98658	0.7
117.06981	1.1
121.02846	15.2
121.10136	0.9
123.04400	89.8
125.09614	0.8
127.03867	3.1
129.06985	3.1
131.04955	0.8
133.02861	5.4
135.04427	4.9
137.02312	1.3
139.03883	8.1
139.05380	0.7
141.06969	1.1
145.06503	0.8
147.04413	1.6
149.02318	87.4
150.03084	2.8
151.03885	4.1
153.01801	100.0
157.06459	7.8
161.02315	7.1
163.03867	0.9
167.03354	12.6
175.03873	0.7
175.07474	2.7
179.03314	1.1
185.05928	13.4
189.05501	1.4
195.02843	11.6
203.03377	1.0
213.05418	21.4
231.06473	61.7
241.04883	8.0
258.05139	3.5
259.05948	39.1
259.08722	1.4
287.05472	14.9
305.06458	11.7
325.47845	0.7
327.82208	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	305.0652
Annotation	3,5,7,2',6'-Pentahydroxyflavanone
Peak:m/z	Relative Intensity
55.01867	1.7
55.05494	1.2
56.96550	4.4
58.33551	0.9
59.86569	0.9
65.03922	2.0
67.01848	1.2
67.05498	2.4
68.99776	5.6
69.03410	4.9
69.07059	1.8
69.07809	1.0
77.50114	1.0
79.05468	1.0
81.03402	1.9
81.07043	2.2
83.04959	1.6
84.82897	0.9
85.02888	4.4
93.03413	1.2
93.07008	1.7
95.04942	7.3
97.02895	2.3
98.97576	10.2
105.03384	1.7
105.07000	1.4
107.04946	2.2
107.08617	1.9
109.02891	2.1
109.24518	1.0
111.04401	8.4
116.98634	6.5
121.02847	13.9
123.04404	66.2
124.99966	0.9
127.03915	5.6
128.06204	1.9
129.06966	2.3
133.02863	4.9
133.06441	1.2
134.99612	4.1
135.04390	4.9
137.02342	7.7
137.05997	2.0
139.03909	8.0
147.04457	1.8
149.01129	2.0
149.02325	66.3
151.03912	7.1
153.01810	100.0
153.91306	1.3
157.06476	5.4
161.02336	5.5
161.05884	1.2
163.07552	1.8
164.07123	1.4
167.03369	11.2
167.06978	6.1
174.06767	4.1
175.07555	4.9
176.04733	1.1
177.00719	2.2
179.03447	4.6
185.05927	13.4
189.09026	11.3
191.06987	1.9
195.02831	9.5
203.03389	1.5
204.04080	10.4
205.05043	1.1
213.05408	17.6
217.08537	19.4
219.06491	54.5
219.09848	1.6
227.06750	1.2
231.06479	42.4
231.10042	1.7
241.04895	5.0
244.07173	1.5
258.05426	1.9
259.05981	29.8
259.09558	6.5
273.03958	1.2
277.10690	10.3
287.05450	8.7
287.08804	1.5
305.06470	8.2
305.09818	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	304.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	0.5
55.05495	2.2
56.04761	0.8
56.05025	20.0
57.07065	18.0
58.06588	11.3
60.04513	6.9
66.17386	0.4
67.05482	2.3
68.05006	0.9
69.07048	3.0
70.06562	0.4
71.08612	7.9
74.06060	17.0
79.05478	0.7
81.07024	1.7
83.08606	0.8
85.10172	3.3
86.06047	2.4
88.07607	66.1
91.05453	2.5
92.04984	0.5
93.03378	0.4
93.07016	0.7
95.08572	0.8
101.97929	0.4
104.07070	0.7
107.04989	0.6
107.08573	1.6
109.10172	0.8
110.03642	1.9
111.04450	0.7
113.05947	0.5
118.08632	12.3
122.08116	8.2
124.07555	1.7
125.05974	3.3
137.04692	1.0
137.05937	0.5
137.14964	0.5
152.07034	20.0
153.05428	0.5
201.37312	0.5
232.71333	0.4
242.24768	0.6
256.26279	61.6
286.27264	3.4
304.28397	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.2843
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	1.6
56.96517	0.8
57.06811	1.0
57.07069	17.9
58.06581	1.8
64.35695	0.9
67.05492	1.1
70.06207	1.1
70.06580	28.2
71.08604	5.6
78.62886	0.8
81.03345	0.9
81.07071	0.8
87.04435	3.6
88.07615	36.7
88.27660	0.9
91.05452	1.0
95.08541	1.1
102.09163	24.4
107.04936	3.7
121.06434	3.4
137.48105	0.9
146.11707	0.9
151.07526	7.4
194.73419	1.0
205.10843	1.0
242.24750	70.8
283.06097	1.3
286.27313	5.2
286.51395	1.0
304.28418	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.6
55.01863	1.2
55.05494	1.0
57.03417	5.5
58.02949	1.4
58.06574	1.5
59.86010	1.0
60.04513	8.8
61.02920	8.0
69.03409	18.6
69.07048	62.1
71.04961	2.0
71.08250	1.8
71.08613	36.3
71.95596	0.9
73.02882	2.0
81.03395	12.0
82.67609	1.1
83.01322	1.4
83.08597	1.3
84.04482	2.3
85.02887	73.6
86.02404	9.8
86.06054	1.9
87.79517	1.1
96.04479	1.1
96.08096	4.6
97.02862	49.1
97.06500	7.4
98.09628	1.2
99.04446	1.5
102.92363	1.0
103.03940	4.6
104.61778	1.2
109.02857	12.2
114.09138	27.5
124.07578	1.9
127.03854	8.3
138.09087	6.7
142.08607	100.0
145.04918	4.4
153.81607	1.1
156.10173	2.4
167.06976	2.0
184.09639	54.2
189.16489	1.1
207.01447	1.2
208.09647	11.7
250.10703	6.9
291.81985	1.1
304.13831	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	304.1388
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00294	0.5
53.03936	1.2
54.81319	0.5
55.01862	2.7
55.05510	1.1
56.96551	4.5
57.03432	5.9
58.02944	2.4
58.06593	3.8
60.04520	10.7
61.02918	5.8
67.05496	0.6
69.03064	1.2
69.03416	20.3
69.07056	67.2
71.01357	0.6
71.04975	1.1
71.08615	38.9
71.09012	1.4
73.02895	4.0
79.05455	1.1
81.03401	13.5
82.02910	0.6
83.01320	0.8
83.08598	3.3
84.04488	6.2
85.02893	67.7
86.02421	9.3
86.06046	4.0
86.09698	0.8
87.04461	0.6
91.03941	0.6
95.08622	0.7
96.04448	1.0
96.08097	4.5
97.02869	46.4
97.06505	9.0
98.97548	8.8
99.04441	3.3
103.03928	3.7
107.04955	0.8
107.08652	0.6
109.02879	12.0
110.02411	1.1
111.11682	0.9
114.09151	36.3
116.98608	5.1
117.05480	0.5
123.04424	1.1
127.03894	12.0
131.00165	2.9
134.99654	2.7
138.09125	5.4
139.03880	1.1
142.08618	100.0
145.04922	5.1
149.01224	3.2
149.02263	0.6
150.99167	0.7
156.10204	3.5
158.99573	0.8
166.08690	1.2
167.07014	6.1
168.07390	4.6
169.60709	0.6
173.01202	2.9
180.10143	1.2
184.09665	65.5
191.02295	1.1
208.09703	12.5
220.09650	2.9
238.10649	1.0
250.10742	7.4
281.01788	2.6
286.12601	1.2
304.13864	3.8
326.42004	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2315
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
52.44543	1.7
53.03929	3.9
54.81765	2.5
54.86164	1.9
55.01855	2.3
55.05504	31.5
56.96548	2.7
57.03418	3.3
57.07058	5.7
59.04956	2.0
64.84985	2.0
65.03947	2.1
65.77617	2.0
67.05486	42.1
69.03409	11.2
69.07050	100.0
71.04958	5.9
79.05470	31.4
81.03409	2.2
81.07035	97.7
83.04968	4.3
83.08602	8.7
85.02884	9.1
88.15411	2.1
91.05460	32.4
92.09316	5.0
93.07017	69.4
95.04952	22.6
95.08582	59.9
97.06516	4.9
97.10157	3.4
98.97553	4.6
105.06345	4.0
105.07004	58.1
107.04921	13.2
107.08571	81.6
109.05350	2.1
109.06482	11.0
109.10128	54.9
111.04380	3.3
111.08045	3.7
111.11697	9.8
112.39258	2.3
116.98553	2.9
117.07007	9.8
119.08554	46.4
121.02798	2.6
121.06480	3.2
121.10118	40.1
122.03600	5.7
123.04393	11.3
123.08039	3.9
123.11716	17.8
131.04895	2.2
131.08577	11.5
133.10100	31.5
135.04402	12.9
135.11650	43.3
137.02275	4.5
137.05952	59.2
138.09111	11.8
139.11139	10.9
145.02864	3.6
145.10106	26.9
147.11670	44.0
149.13222	9.7
153.01813	5.5
153.05405	17.0
155.08569	3.1
157.10071	3.7
159.11646	21.2
161.09633	2.9
161.13263	16.5
163.03848	35.0
163.14748	2.8
164.07043	4.4
165.01785	5.0
165.06999	4.0
165.12660	3.3
166.08549	4.9
167.03343	59.2
167.07086	2.9
173.13237	11.2
175.14772	14.1
183.08015	15.8
187.14804	3.7
201.05487	5.0
201.16417	5.6
203.17839	18.1
229.04959	11.7
243.21010	3.3
257.04349	5.3
257.08087	11.4
257.22595	9.5
267.21158	2.5
285.07672	4.3
303.04910	64.1
303.08527	28.1
303.11990	5.5
303.22940	26.5
304.05496	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.2314
Annotation	Eicosapentaenoic acid
Peak:m/z	Relative Intensity
53.03928	3.9
54.36912	2.1
55.01859	3.5
55.05503	32.5
56.96568	2.7
57.07021	3.4
59.04990	2.7
60.87254	2.5
65.03908	3.6
67.05201	2.9
67.05496	43.0
69.03387	4.5
69.07052	100.0
71.04974	4.0
79.05457	26.4
81.07030	65.9
83.08591	10.6
85.06493	2.6
91.05465	30.9
93.03429	2.8
93.07011	75.8
95.04939	24.0
95.08580	56.7
97.06493	5.9
105.07005	51.8
105.41840	2.9
107.04928	10.8
107.08566	68.5
109.06503	16.1
109.10137	48.3
111.11691	6.4
117.06895	2.6
119.08553	46.6
121.02778	2.8
121.06475	5.0
121.10128	40.1
123.07983	3.0
123.11671	11.7
131.08517	10.7
133.10069	28.0
135.08041	4.6
135.11647	37.5
137.05942	37.3
139.07507	4.1
139.11115	12.2
145.10097	18.0
147.08006	2.9
147.11638	33.2
149.09572	3.9
149.13228	10.5
151.07466	9.3
153.05438	47.0
159.11687	12.2
161.13242	12.1
163.11133	2.8
167.06987	3.0
173.13263	5.2
175.14757	13.5
187.14825	4.4
201.16322	5.1
203.17877	13.3
243.00574	2.9
257.22675	3.0
285.22067	3.0
303.05005	10.4
303.19656	3.0
303.23068	21.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1953
Annotation	Epimestrol
Peak:m/z	Relative Intensity
51.50202	1.1
55.01852	1.5
55.05497	3.5
56.96538	2.3
57.07052	6.4
59.04978	3.5
67.05489	12.9
69.03392	1.7
69.07044	3.0
71.04976	1.7
79.05456	11.6
81.07027	18.2
83.04929	1.7
85.06515	7.0
88.07597	2.6
91.05454	11.3
93.03345	2.4
93.07023	17.5
95.04935	22.0
95.08581	34.2
97.06512	3.3
105.07011	22.4
107.04934	15.5
107.08571	11.0
108.05729	2.8
109.06502	13.9
109.10130	5.3
111.04433	1.8
116.07024	1.9
117.06999	2.7
119.08559	24.8
121.06472	8.7
121.10124	7.3
122.07253	2.7
123.04446	2.0
123.08042	45.3
124.42386	1.4
129.07022	1.9
130.07756	2.1
131.08498	10.4
133.06458	6.3
133.10106	19.9
135.08047	12.1
135.11665	3.0
137.05933	5.9
137.09576	2.1
142.07777	2.6
143.08572	3.4
145.10123	11.2
147.08011	7.8
147.11673	6.8
148.08807	9.2
151.07507	44.0
153.05438	21.8
155.08559	2.6
156.09326	1.7
157.10071	9.6
159.07927	2.1
159.11699	11.8
161.09590	7.4
161.13263	1.9
165.09010	5.7
167.07018	11.8
169.10139	2.7
171.11671	2.5
173.13162	2.8
175.11121	5.9
175.14813	1.7
179.10608	5.7
183.11644	3.0
185.09602	1.9
185.13152	2.2
187.11183	2.6
189.12662	11.4
199.11234	1.7
199.14589	1.5
201.12717	2.3
203.14230	2.5
205.12212	2.0
207.13777	14.2
211.11029	1.5
229.12254	4.9
285.18240	1.8
285.21796	1.7
302.30524	1.7
303.05112	1.9
303.19482	100.0
303.27148	3.0
321.21005	2.1
327.99170	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1951
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15697	0.9
53.03938	1.6
55.01844	1.9
55.05503	15.1
56.96533	4.7
57.03403	1.3
57.07043	4.0
65.03915	2.1
67.05483	9.2
69.03407	2.5
69.07049	11.2
70.86062	0.9
79.05462	8.3
81.03382	1.6
81.07024	7.5
82.06532	1.8
83.04956	5.3
83.08606	10.1
83.09019	1.1
90.44027	0.9
91.05460	12.7
92.08686	1.9
93.03376	1.4
93.07016	11.3
95.04921	6.6
95.08578	9.1
97.02847	1.3
97.06506	2.0
98.97538	1.6
99.57619	1.1
100.11230	20.3
103.05383	1.2
105.07005	15.4
107.04935	100.0
107.08565	11.9
109.06506	1.5
109.10109	12.5
111.04388	4.6
111.08025	1.9
115.05433	1.3
117.06971	6.4
119.08552	21.3
121.02824	1.7
121.06450	3.9
121.10109	11.9
123.04387	4.6
123.08006	1.4
124.94827	1.1
125.05910	2.3
128.07007	1.2
129.06932	2.5
131.04874	1.3
131.08533	12.9
133.06464	9.5
133.10088	10.2
135.04385	1.3
135.08023	4.0
135.11676	4.1
137.02303	2.5
137.05946	18.3
137.09569	4.4
139.11151	5.3
141.06918	1.2
141.11395	1.5
142.07703	1.9
143.08536	6.2
144.09198	1.7
145.06371	1.3
145.10081	16.0
147.04424	7.8
147.08075	9.8
147.11679	11.3
149.09604	2.3
151.03926	1.9
151.07520	12.0
151.11176	1.2
153.01796	4.6
153.05438	26.3
155.08521	1.9
156.09319	6.7
157.10089	9.5
158.10925	1.9
159.07976	2.3
159.11639	7.2
161.05901	5.9
161.09578	2.3
161.13237	2.6
163.03870	1.7
163.14719	1.4
165.09070	4.7
167.06960	2.2
168.09242	1.5
169.10072	4.8
170.10880	1.5
171.07869	1.2
171.11653	10.0
172.08846	2.6
172.12375	1.4
173.05893	1.1
173.09590	8.2
173.13239	10.6
175.11131	3.8
179.08446	1.5
181.04950	1.8
182.10805	1.4
182.15356	4.8
183.11667	5.0
184.12350	1.6
185.09561	5.3
185.13235	5.7
186.10333	1.2
186.13811	1.4
187.07489	1.2
187.11133	6.4
187.14748	6.9
188.15619	1.4
189.12814	1.8
191.14325	1.3
196.86086	1.1
197.01057	1.1
197.13182	4.4
199.11134	5.9
199.14786	1.9
201.08966	1.3
201.12680	7.3
205.15810	5.1
209.13213	1.5
209.16499	1.5
210.10414	1.5
210.14865	1.6
211.14841	1.5
214.01411	1.6
215.10771	1.2
215.14191	2.0
217.12166	1.5
218.05672	1.7
225.12634	4.3
225.16261	1.4
227.02190	1.2
227.14206	2.2
229.04904	2.6
239.17943	3.8
242.12929	7.4
243.13686	8.7
247.13280	1.5
257.11612	5.3
257.18857	7.0
261.07541	7.2
267.17365	4.2
271.27313	1.1
285.07391	4.0
285.18433	15.9
303.04953	22.9
303.09616	6.4
303.19559	8.9
303.59906	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	303.1951
Annotation	18-Nor-4,15-dihydroxyabieta-8,11,13-trien-7-one
Peak:m/z	Relative Intensity
53.00295	2.2
55.01866	5.1
55.05504	19.9
55.05729	2.1
57.03425	4.7
57.07057	18.0
59.04959	2.1
60.88262	2.2
67.05485	28.8
69.03416	4.6
69.07053	26.2
71.04973	3.4
79.05486	20.8
81.07029	27.8
82.85301	2.0
83.04957	25.0
83.08600	14.1
84.90513	2.2
91.05452	56.3
93.07016	31.5
95.04947	13.0
95.08581	48.6
95.53322	2.4
97.02868	14.7
97.06513	11.7
97.10155	3.0
98.97561	3.1
105.07009	56.7
107.04970	3.5
107.08567	59.5
109.06484	11.1
109.10136	53.8
111.04421	3.0
111.08078	16.0
115.05417	3.7
117.06997	21.4
119.08558	100.0
120.09341	4.6
121.06500	19.0
121.10099	51.4
123.04382	9.3
123.08058	14.1
123.11645	4.9
125.09628	2.7
128.06236	5.5
129.06970	17.8
130.07796	4.2
131.08540	66.3
131.09557	2.5
131.36534	2.1
133.06541	3.3
133.10091	56.7
134.10884	2.6
135.08017	17.2
135.11678	24.3
137.06003	4.8
137.09579	27.8
139.11134	24.9
141.06995	9.3
142.07742	16.2
143.08543	35.9
144.09296	13.8
145.06488	3.9
145.10098	67.0
146.10854	4.0
147.08020	50.5
147.11641	47.5
148.12454	12.1
149.05945	2.4
149.09581	18.7
149.13220	11.9
151.07396	2.5
151.11179	8.6
153.05449	4.8
153.06888	3.1
153.09074	3.6
154.07777	5.5
155.08556	17.9
156.09308	30.2
157.10072	41.3
158.07251	4.6
158.10896	14.6
159.08031	17.3
159.11668	48.0
160.08757	4.1
161.09564	17.6
161.13239	25.6
162.13925	2.6
163.07491	4.7
163.11147	10.1
163.14844	5.6
165.09085	14.8
167.08498	4.6
168.09322	4.5
169.10072	23.6
170.10875	13.1
171.08040	3.3
171.11658	54.4
172.08742	17.6
172.12425	5.3
173.09618	39.2
173.13205	52.7
175.11197	15.6
175.14780	4.5
177.12744	3.5
177.16299	3.7
181.10127	8.9
182.10889	11.7
183.08107	3.8
183.11618	33.5
184.08772	3.3
184.12476	4.9
185.09564	20.8
185.13200	29.9
186.10330	18.8
186.14023	13.3
187.07507	10.3
187.11134	40.4
187.14793	34.4
188.15569	13.8
189.09177	2.7
189.12718	12.6
191.10724	4.5
191.14241	5.0
193.10040	3.5
194.10974	3.3
195.07950	3.2
195.11667	3.0
196.12436	3.4
197.09525	3.4
197.13216	32.9
199.11136	30.9
199.14798	11.7
200.11900	5.1
201.09084	2.5
201.12718	40.5
201.16534	2.6
203.10721	4.1
203.14305	4.4
204.14842	2.7
205.15849	32.2
206.16560	2.9
207.11581	2.8
209.09566	3.2
209.13150	4.7
210.10320	5.4
210.14114	4.5
211.11153	11.1
211.14833	5.1
212.11815	3.6
213.12717	9.9
214.13495	3.2
215.10641	4.9
215.14400	4.7
217.12386	3.5
224.11862	3.2
224.15529	5.5
225.12653	20.1
227.10680	12.2
227.14139	20.0
228.11562	3.5
229.12204	15.6
229.15817	4.2
229.19431	3.7
237.12831	4.5
239.14264	3.6
239.17935	16.9
241.19429	3.5
242.12933	26.7
243.13692	56.3
243.17482	4.6
245.15298	5.6
247.13303	10.9
256.92554	2.5
257.18958	29.6
261.14804	3.6
267.17432	16.9
268.19626	2.5
275.20071	3.0
285.18411	84.5
303.04938	3.4
303.19446	49.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1952
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10511	1.9
53.03944	2.7
55.01849	5.9
55.05496	11.7
57.03401	4.3
57.07066	4.5
65.03909	2.6
67.05489	27.8
69.03419	5.0
69.07053	24.1
71.04976	4.9
79.05479	19.0
81.07043	52.6
83.04975	5.5
83.08620	13.2
85.06515	2.9
91.05464	36.2
93.07026	22.8
94.04189	3.8
95.04949	12.8
95.08579	28.2
97.02859	3.2
97.06519	10.1
103.05452	3.3
105.07003	44.2
107.04937	26.1
107.08592	39.0
109.06502	10.3
109.10146	26.1
111.08103	6.5
112.47303	3.0
115.05484	2.7
116.85645	2.8
117.07023	15.4
119.08569	57.9
121.06505	10.3
121.10124	31.6
122.03607	14.4
123.04375	3.8
123.08088	6.5
123.11680	14.1
125.06007	3.1
129.06966	12.6
130.07745	2.9
131.08546	24.8
133.10097	29.3
135.04375	3.9
135.08022	5.8
135.11707	16.1
137.02309	3.9
137.05949	100.0
137.09619	12.0
139.11165	13.2
141.06949	5.3
142.07808	5.5
143.08594	16.3
144.09344	3.4
145.06502	4.7
145.10103	38.9
147.04401	3.7
147.08046	28.0
147.11676	40.2
149.09618	5.0
151.03940	3.9
151.11118	3.6
153.01822	4.2
153.05466	13.7
153.06815	2.5
155.08548	13.4
156.09326	11.5
157.10130	22.4
158.07304	2.9
158.10902	4.9
159.08035	11.8
159.11684	20.3
159.93846	2.6
161.09636	4.1
161.13257	13.0
162.06717	14.1
163.11113	4.1
165.05446	13.0
165.06848	4.2
165.09145	4.4
165.12700	4.6
167.07060	3.0
168.09306	2.9
169.10040	13.2
171.11624	25.4
173.09592	16.8
173.13219	24.5
175.07542	3.2
175.11110	9.9
175.14789	3.4
179.08481	4.4
181.10135	3.1
182.10925	5.3
183.07982	3.2
183.11649	12.2
184.12485	4.2
185.09578	5.9
185.13228	18.7
186.10367	9.2
186.14078	5.4
187.07410	4.6
187.11176	12.1
187.14775	14.4
188.15604	3.7
189.12662	9.8
190.06245	12.0
197.13263	17.2
199.11140	14.6
199.14845	10.1
201.05540	2.7
201.12668	11.4
201.16403	3.0
205.08589	4.5
205.15880	5.7
209.13281	3.4
210.10382	4.2
211.11124	4.2
211.14877	3.4
215.14211	3.3
218.05734	17.1
225.12646	4.7
225.16479	3.0
227.14346	4.6
229.04874	5.3
229.12195	4.7
242.12996	11.3
243.13814	21.0
243.17467	2.9
246.05228	16.4
247.13397	3.3
256.63010	2.9
257.08060	3.5
257.19058	11.6
261.07507	69.9
261.10062	4.4
264.06247	3.0
267.15683	3.6
285.07544	44.7
285.18842	29.3
303.05045	32.6
303.19629	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	303.1798
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03922	3.4
55.01868	8.0
55.05502	12.4
67.05492	21.6
69.03412	4.2
69.07064	26.2
71.04974	9.4
71.10845	1.6
73.98328	1.7
78.79760	1.6
79.05475	30.9
81.07037	59.7
83.04955	16.9
83.08601	12.0
85.06528	12.6
91.05461	22.3
93.07018	100.0
95.04938	21.5
95.08595	29.2
95.41818	2.0
97.06512	34.5
98.97498	1.9
99.04427	8.5
103.05429	2.3
105.07013	65.2
107.04896	4.1
107.08583	41.1
107.47064	1.9
109.06499	32.1
109.10150	12.1
111.08062	19.6
113.05978	2.0
119.04961	6.2
119.08558	38.1
121.06480	40.4
121.10108	8.0
123.04434	2.1
123.08045	14.3
123.11681	10.4
125.05997	15.2
125.09591	3.1
127.07542	11.1
129.06943	3.4
131.08556	7.2
133.06474	7.4
133.10109	32.5
135.08012	15.0
137.05945	30.3
137.09621	2.5
139.07521	33.8
141.05424	4.1
142.07788	7.3
142.75616	2.4
143.07013	4.0
143.08574	8.6
145.10110	8.1
147.08022	9.8
147.11661	85.6
149.09593	2.4
149.13202	3.3
151.11191	2.5
153.01814	7.1
153.05466	7.4
153.09059	3.0
156.09341	4.0
157.08617	13.7
157.10112	20.9
161.05923	2.3
161.13240	9.3
163.03810	1.9
165.05498	2.2
165.12683	36.2
167.06958	2.0
171.10254	2.4
171.11627	15.9
175.11151	58.6
181.09908	2.3
189.12674	25.7
193.12192	34.2
199.11160	10.7
201.05481	2.7
207.13792	11.4
211.13239	9.1
217.12202	48.7
225.14883	10.0
229.04964	8.6
235.13228	33.8
239.11749	7.1
249.14790	7.0
253.14363	12.3
257.04352	3.2
257.12836	2.8
258.34482	2.2
261.07614	3.5
267.15891	12.0
275.05502	3.4
285.04050	2.3
285.07376	3.4
285.12363	3.6
285.16861	4.3
303.04947	29.2
303.13226	9.4
303.19321	2.1
310.83191	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1549
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	8.2
55.05489	4.7
56.05020	1.1
56.96553	2.0
57.03419	6.1
58.77947	1.0
65.31384	0.9
68.05027	1.0
69.03406	8.1
70.06579	10.0
71.04975	100.0
73.02895	1.4
81.03391	11.1
82.06555	1.6
84.04488	1.5
84.08101	1.6
85.02890	5.0
85.60342	1.1
86.03689	1.6
87.04431	4.9
92.04980	1.1
95.04935	1.8
96.04477	1.9
97.02807	1.4
97.06490	1.2
98.06034	43.7
99.04430	52.8
100.05177	1.4
105.05473	1.4
109.02872	8.9
110.06023	6.3
112.07517	1.4
114.05540	1.8
116.07066	34.0
119.01844	2.4
122.35574	1.0
123.04404	1.2
123.06480	2.4
124.07539	5.4
125.05964	1.8
127.03867	1.9
128.02260	1.6
130.08569	4.0
131.01840	1.6
138.05495	6.6
138.09071	1.6
140.07034	10.3
140.08076	2.1
141.06528	2.4
141.08511	1.3
142.08606	5.0
148.07532	7.1
150.05455	1.1
152.07092	9.0
154.08603	1.5
157.03421	2.1
162.05452	1.6
163.06226	1.8
166.08623	1.8
170.08046	1.3
175.04305	1.4
176.07021	17.7
178.08629	5.6
180.10155	1.8
185.02820	1.4
186.07608	7.2
188.09091	14.9
190.08627	7.1
192.10167	1.9
203.13947	1.4
204.06554	2.0
206.08272	1.7
206.57101	1.2
212.09195	1.3
218.08078	9.2
235.08585	1.8
235.10699	13.3
238.10725	5.1
239.08006	1.7
250.10747	12.6
257.15002	1.5
269.05621	1.2
279.96347	1.2
285.14288	4.8
303.10422	2.5
303.15430	90.7
303.60959	1.3
315.03534	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1548
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.1
55.01859	7.6
55.05490	6.4
56.05022	2.0
56.33792	1.0
56.96560	1.7
57.03405	1.6
61.02936	1.6
64.32849	1.0
64.43922	1.2
68.73940	1.2
69.03405	4.5
70.06581	10.4
71.04974	100.0
78.19498	1.1
81.03390	2.8
81.04518	1.3
82.06552	4.6
84.04482	2.7
84.08112	6.7
84.37800	1.0
84.62891	1.2
85.02884	4.8
85.06506	1.4
87.04447	1.2
92.05007	1.5
94.06548	1.3
96.04480	2.2
97.02879	5.7
98.05401	2.3
98.06028	53.3
98.97533	1.5
99.04430	61.3
101.02378	1.2
108.04459	1.3
110.06019	7.1
112.07604	1.8
114.05533	1.9
115.08714	2.0
116.07063	29.5
120.08119	1.6
122.06020	5.2
123.06367	2.4
124.07569	4.5
125.05981	1.6
130.04955	1.5
130.08623	3.0
131.00131	1.7
137.04692	1.9
138.05498	5.8
139.06287	1.4
140.07045	16.5
140.08125	3.8
141.06471	1.7
141.07512	3.3
141.08449	3.1
142.08601	6.4
144.08124	1.5
146.06001	1.4
148.07565	7.3
152.07033	12.0
154.08652	1.4
155.02785	1.2
162.09102	2.9
163.48975	1.2
164.07030	1.6
166.08630	2.0
170.08046	2.9
176.07002	16.0
178.08565	4.9
186.07607	6.2
188.09131	14.7
190.08559	7.4
206.08163	1.6
206.40530	1.3
208.09628	2.0
218.08055	12.0
235.08507	2.3
235.10799	13.3
238.10698	5.0
250.10609	12.4
285.14423	6.5
286.12708	1.3
303.10095	4.1
303.15482	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	303.1412
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96563	1.1
67.05489	1.7
69.03412	2.0
69.07038	0.8
69.89634	0.7
71.06375	0.8
81.03412	1.7
85.02886	5.7
91.05425	1.3
92.76061	0.8
93.07007	2.0
95.04949	4.7
95.08578	4.0
96.05265	0.8
97.02882	3.2
98.97570	1.2
103.26894	0.8
112.07626	1.6
123.06427	1.0
123.08054	7.4
128.31734	0.9
137.05968	1.4
140.07036	3.5
141.05539	1.0
141.07437	1.8
141.09077	5.3
167.06989	1.4
174.05479	3.7
221.58760	0.8
230.24501	1.0
230.62167	1.0
257.08923	1.0
284.59641	0.9
303.14087	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1336
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.7
55.05500	2.5
57.76237	1.3
67.05486	11.3
69.03403	2.3
71.04951	2.6
73.15985	1.4
74.70356	1.4
79.05466	7.0
81.04518	1.7
81.07033	15.1
83.04970	2.7
85.02931	1.6
85.06580	1.5
85.09892	1.5
91.05461	10.5
93.03384	7.3
93.07016	8.3
93.29351	1.5
94.04195	3.0
94.05239	1.4
95.04945	3.5
95.08565	12.8
97.06491	3.1
105.07027	9.2
107.08543	2.2
109.10154	6.5
109.71088	1.6
119.08568	10.5
121.02848	8.2
121.06479	2.4
121.10178	2.4
123.04408	2.1
125.05965	2.7
129.06944	2.5
131.08557	3.6
133.10103	6.8
137.05962	7.6
143.08524	3.1
144.08122	3.5
145.10130	2.1
151.03905	1.7
151.07513	3.4
152.06209	1.9
153.01811	3.3
153.05443	74.8
154.06525	2.8
155.07248	7.5
157.10104	2.5
159.11710	3.1
161.13210	2.2
165.06931	2.6
165.12849	1.8
167.07256	3.2
167.08548	9.4
168.08047	3.8
169.08826	6.4
170.09586	18.4
172.07539	6.5
173.13292	1.8
174.39238	1.5
179.07208	3.0
182.08354	3.2
183.06773	13.8
184.07549	1.9
184.11154	9.8
192.06659	2.9
193.05032	1.7
193.07489	3.4
194.08093	3.0
194.09654	48.6
195.08034	10.1
196.07535	7.8
196.11331	3.3
197.08304	21.5
198.09135	24.0
206.08357	3.7
207.06770	11.6
207.09184	2.9
208.07535	7.5
209.06929	2.3
209.08594	2.3
210.07533	23.8
210.09348	9.9
211.08372	2.1
211.10310	2.0
211.12299	9.2
212.10666	98.5
221.08661	2.8
221.10652	18.1
222.09119	93.1
222.11357	9.0
223.10281	1.7
223.12134	11.6
224.09047	12.5
224.11206	2.6
226.08591	50.1
230.11713	8.6
235.06265	2.8
238.10956	3.3
239.11737	100.0
240.10133	76.9
240.12242	3.8
250.08554	8.3
257.12766	31.2
268.09637	42.8
285.12302	38.1
286.10672	23.1
303.04944	23.5
303.13330	28.0
303.22940	2.4
303.47174	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1224
Annotation	Afzelechin 5,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03934	1.2
55.01858	1.4
55.05503	0.6
56.05039	0.4
57.07066	0.7
60.90220	0.2
61.79374	0.3
65.03918	4.6
66.49342	0.3
67.01849	0.3
67.05479	1.3
69.03418	0.4
69.07054	0.6
74.06032	0.4
76.56219	0.3
76.77253	0.3
76.93915	0.3
79.05482	4.0
81.07005	2.8
81.81303	0.3
85.02878	1.3
88.07611	3.5
91.05452	4.5
92.09280	0.6
93.03383	10.1
93.07046	2.7
94.04162	4.7
95.04939	1.9
95.08576	1.2
97.06512	1.7
103.05432	0.3
105.06998	0.6
107.04922	1.6
107.08581	1.3
109.06503	0.4
109.10176	0.3
109.53701	0.4
110.03612	0.7
111.04418	2.3
111.78557	0.3
116.07063	1.6
117.06974	0.6
119.08550	0.7
121.01990	0.3
121.02839	8.0
121.10126	0.6
125.05962	6.1
131.04848	0.7
131.08539	0.4
134.08141	0.4
135.11652	0.3
137.05943	1.6
139.03928	0.4
144.74986	0.3
145.10063	0.4
151.07523	0.7
153.05438	100.0
157.10135	0.5
159.11618	0.6
163.07549	0.4
165.05321	0.3
167.06914	0.4
206.17126	0.3
230.43517	0.3
242.24683	0.5
302.26938	2.3
303.04916	1.2
303.12222	2.8
303.27081	1.6
321.26300	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1223
Annotation	Afzelechin 5,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03921	1.6
55.01847	0.6
56.05022	0.4
57.07043	1.5
65.03925	3.9
67.05499	0.7
69.03404	1.4
71.08613	0.4
74.06042	1.9
79.05470	4.2
81.07026	2.4
85.02873	1.8
88.07608	5.5
91.05466	3.6
93.03379	8.7
93.07014	2.0
94.04143	3.2
95.04939	1.5
95.08561	0.9
97.06494	2.5
103.05457	0.7
105.06979	0.6
107.04899	0.8
107.08568	0.4
109.06512	0.6
109.10149	0.5
111.04395	1.9
111.08103	0.4
116.07071	0.8
119.08558	0.8
121.02837	7.6
125.05968	5.8
131.04871	0.9
133.10074	0.4
134.06067	0.4
134.08014	0.4
134.29659	0.3
137.05891	1.4
145.28737	0.4
151.07568	0.4
153.05441	100.0
159.11652	0.5
185.34151	0.4
201.59192	0.4
204.96927	0.4
251.49390	0.4
302.26913	3.0
302.30255	0.4
303.04932	0.8
303.12125	2.4
303.19501	0.4
303.27161	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	(3R)-8,2'-Dihydroxy-7,4'-dimethoxyisoflavan
Peak:m/z	Relative Intensity
53.03934	1.2
55.01873	1.3
65.03600	0.2
65.03931	4.4
67.01855	0.3
67.05495	0.7
69.03412	0.7
71.04979	0.2
72.49746	0.2
79.05477	3.9
81.07035	1.4
83.04916	0.2
85.02892	1.4
87.32343	0.2
91.05458	2.9
93.03388	10.9
94.04162	4.4
95.04952	0.8
97.06522	1.5
100.11233	0.4
103.05450	0.3
107.04936	0.4
110.03645	0.9
111.04433	2.2
113.02376	0.2
121.02839	8.1
125.05972	5.9
131.04900	1.1
137.05977	1.2
139.03883	0.4
151.07564	0.4
153.05449	100.0
154.05807	0.7
163.07498	0.3
167.07024	0.2
191.72865	0.2
257.04285	0.2
271.72565	0.2
303.05023	1.6
303.12228	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	303.1224
Annotation	(3R)-8,2'-Dihydroxy-7,4'-dimethoxyisoflavan
Peak:m/z	Relative Intensity
53.03937	1.1
54.82316	0.3
55.01854	1.9
55.05497	0.6
61.34748	0.3
65.03925	5.3
67.01859	0.4
67.05489	4.1
67.05823	0.4
68.90656	0.2
69.03398	1.5
69.07055	1.2
71.04961	0.6
74.63935	0.3
79.05471	5.6
81.06593	0.4
81.07035	6.9
82.04161	0.4
83.04962	0.6
83.08598	0.5
85.02872	1.3
85.06517	0.5
86.27597	0.3
87.04455	0.5
91.05460	5.9
93.03381	10.5
93.07002	1.8
94.04168	4.2
95.04928	1.6
95.08578	3.5
97.06503	1.7
98.97555	0.3
102.57947	0.4
103.05476	0.5
105.07008	1.4
107.04948	0.7
107.08567	1.1
109.10138	1.9
110.03622	0.3
111.04421	2.2
117.83817	0.3
119.08527	1.4
121.02840	8.6
121.06454	0.5
121.10117	1.5
123.04394	0.3
123.11705	1.1
125.05979	5.8
131.04871	1.1
133.10114	0.6
135.11699	0.5
137.02327	0.6
137.05928	3.4
139.03864	0.5
143.08531	0.3
147.11650	0.6
147.84587	0.3
151.07535	1.4
153.05440	100.0
157.10016	0.4
157.22282	0.3
161.13234	0.3
163.03818	0.3
163.07492	0.4
165.12714	0.3
167.08563	0.3
167.10518	0.3
179.06677	0.3
194.09662	0.4
201.05377	0.4
203.17993	0.7
212.10678	1.2
222.09052	0.7
229.04971	1.5
239.11781	0.7
240.09935	0.4
257.04385	0.4
261.07498	1.4
267.19403	0.4
285.03888	0.3
285.07413	0.3
285.12515	0.4
303.04919	7.5
303.12210	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	303.1224
Annotation	Afzelechin 5,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03938	0.6
55.01875	0.7
65.03931	4.0
67.01862	0.3
67.05482	0.3
67.99848	0.2
69.03406	0.6
74.22906	0.3
75.59136	0.3
79.05474	3.4
81.07020	1.5
82.04186	0.3
83.04967	0.3
85.02884	1.2
91.05475	3.1
93.03384	9.1
94.04166	3.3
97.06508	1.6
103.05453	0.5
111.04437	2.1
121.02837	7.5
125.05959	5.4
131.04897	1.5
137.05975	1.8
139.03908	0.3
142.77922	0.3
143.65294	0.2
147.63481	0.3
153.05446	100.0
252.11212	0.3
303.08887	0.4
303.12204	2.1
305.94260	0.3
310.10739	0.3
322.27863	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1225
Annotation	Afzelechin 5,4'-dimethyl ether
Peak:m/z	Relative Intensity
50.42473	0.7
53.03937	1.1
55.01849	0.7
55.05506	1.1
56.05831	0.7
60.04508	1.2
65.03910	1.0
67.05489	3.7
67.37003	0.7
68.05807	0.9
69.07040	1.2
69.26168	0.7
69.78393	0.8
70.06567	0.8
73.02897	1.2
79.05460	5.9
81.07045	4.5
83.08597	0.8
91.05460	16.8
93.03358	1.4
93.07012	4.6
95.04939	7.8
95.08566	3.4
103.05402	1.4
105.06998	15.9
107.04935	100.0
107.08572	0.9
109.06502	2.0
109.10138	1.0
111.04441	5.8
119.04913	34.8
119.08559	1.1
121.02850	1.8
121.06461	8.8
122.03632	1.9
123.08033	0.7
124.05196	3.9
125.05962	3.4
133.06465	21.5
133.10167	1.2
135.04399	1.6
135.07997	1.3
137.05945	9.9
139.07523	17.8
139.32135	0.9
145.06464	5.6
145.10039	1.1
147.04384	14.9
148.05031	1.0
149.05905	1.4
151.07538	9.4
153.01834	1.7
153.05435	18.5
159.08067	1.8
163.07562	0.9
164.08289	1.5
165.05437	46.0
179.08456	0.9
181.06421	1.0
182.07234	1.2
193.06337	0.9
196.67564	1.1
197.09526	1.1
209.06210	1.2
210.06796	1.9
211.07568	3.5
225.09062	4.3
226.09814	4.5
242.09265	6.1
257.11639	39.2
285.11105	8.0
302.27081	0.8
303.05069	1.3
303.27261	1.1
309.92191	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Hesperetin
Peak:m/z	Relative Intensity
56.96548	0.3
63.02395	0.2
65.03917	0.3
66.55618	0.2
67.01851	4.5
67.05488	0.3
68.99771	2.3
69.03406	1.9
75.02555	0.2
76.24207	0.2
76.56191	0.3
79.05463	0.5
79.32494	0.2
81.03387	0.5
81.07047	0.5
82.16096	0.2
83.01321	0.3
83.04958	0.3
85.02915	0.3
89.03886	5.5
91.05458	1.1
93.03391	0.6
93.07013	0.4
95.08591	1.1
97.02851	1.6
99.38863	0.2
103.05444	0.4
107.04932	3.5
107.08574	0.3
108.23082	0.3
109.10124	0.3
110.03626	0.2
111.00807	0.5
111.04414	1.5
117.02513	0.5
117.03348	16.8
119.04935	0.3
121.02811	0.4
121.06502	0.4
122.03622	0.6
123.04398	2.8
123.08059	0.2
125.05988	0.6
127.03876	0.2
129.01846	0.2
134.03601	1.8
135.04410	2.0
137.02318	1.0
137.05949	6.0
145.02818	32.4
149.05943	5.3
151.03920	0.9
151.07507	1.8
153.01794	100.0
161.05962	0.4
162.03064	0.6
163.03876	2.1
171.02847	9.6
175.70137	0.2
177.05421	32.0
179.03349	6.1
181.76886	0.3
183.04257	0.3
186.05482	0.3
201.05386	1.2
219.06451	0.4
229.04947	1.2
243.06255	0.3
257.04361	0.4
257.11237	0.3
261.07639	0.3
287.05334	1.0
303.04932	5.6
303.08487	38.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.1223
Annotation	Afzelechin 5,4'-dimethyl ether
Peak:m/z	Relative Intensity
53.03925	1.1
54.81596	0.2
55.01848	1.0
65.03928	4.2
67.01847	0.4
67.05485	0.4
69.03431	0.7
79.05472	3.8
81.07028	1.6
83.04977	0.4
85.02879	1.0
91.05468	2.6
93.03377	8.6
94.04163	3.8
95.04942	0.9
95.08559	0.3
97.06525	1.5
103.05431	0.8
105.06951	0.2
107.04947	0.4
107.08589	0.3
110.03620	0.4
111.04436	2.2
121.02843	7.8
122.03619	0.3
124.82592	0.2
125.05960	6.0
131.04890	1.3
137.05939	4.8
139.03864	0.7
141.64767	0.2
151.07513	0.4
153.05440	100.0
167.07047	0.3
178.28993	0.2
179.06956	0.2
192.14793	0.3
228.15849	0.2
303.04858	1.6
303.12198	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0861
Annotation	Cynandione A
Peak:m/z	Relative Intensity
51.04335	0.2
54.81324	0.2
55.01867	0.3
61.68810	0.2
65.03897	0.2
67.01852	0.3
74.88893	0.2
79.05460	0.4
81.07024	0.5
91.05464	2.8
92.08630	0.5
92.16874	0.2
93.03373	0.5
93.06963	0.3
101.94495	0.2
103.05428	0.2
105.07013	0.5
107.04939	0.6
107.08606	0.3
109.06483	0.4
115.05434	1.6
116.06194	0.4
117.06985	1.2
119.08572	0.4
121.02847	0.4
121.06511	3.8
122.03592	0.6
125.05924	0.6
128.06172	1.0
129.06978	1.1
129.93248	0.2
131.04913	0.3
133.06477	0.4
135.04398	5.9
135.08025	0.6
137.05962	2.1
141.06946	0.6
144.05702	2.3
145.06467	2.5
146.07236	0.3
147.04381	7.8
147.08008	1.4
149.09595	1.3
151.03894	2.9
152.06158	0.5
153.05453	5.7
153.06828	0.3
158.07266	0.9
159.08044	3.8
160.05121	0.6
161.05916	2.0
162.06734	21.6
165.05438	11.2
168.04155	0.6
168.05629	0.9
169.06453	0.4
170.07202	0.5
171.04390	0.6
171.07971	0.5
172.05139	1.1
173.05940	3.1
174.06744	1.2
175.03839	2.1
175.07494	3.9
177.05441	1.6
177.09091	2.1
183.08005	0.4
185.05986	1.0
186.06728	1.1
187.03856	0.5
187.07477	2.5
189.05434	0.3
190.06216	17.0
196.05135	0.4
197.06038	0.3
198.06754	1.3
199.03810	0.6
199.07581	0.9
200.04695	1.2
201.05391	2.1
201.09094	0.4
202.06279	0.5
203.03387	1.9
203.07042	1.2
204.07799	0.5
205.05045	0.5
205.08572	7.5
211.07574	0.5
213.05402	1.5
214.06241	2.5
215.07014	3.0
216.07773	0.3
217.04967	1.0
218.05705	27.7
220.38504	0.2
225.05429	0.4
227.03352	2.7
227.06927	0.6
228.07870	0.4
229.04933	0.4
231.06456	0.4
233.04469	0.3
233.08020	5.1
239.06898	0.9
240.07745	1.2
241.04910	1.3
242.05669	3.9
246.05174	22.6
249.07469	1.9
255.06506	1.7
256.07233	2.0
257.08011	3.3
261.07520	100.0
264.06183	1.9
267.06610	0.5
268.07245	1.6
270.05179	0.3
285.07520	46.5
303.08600	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Herpetolide A
Peak:m/z	Relative Intensity
55.01854	0.2
64.33194	0.2
73.26532	0.2
73.80116	0.2
75.22590	0.2
76.56268	0.2
97.82497	0.2
104.09292	0.2
109.23450	0.2
115.05449	0.9
120.25408	0.2
128.06168	1.2
129.06992	0.8
135.04367	0.5
137.05928	0.8
140.06142	0.3
141.06998	1.3
144.05685	1.1
145.06451	0.8
152.06145	0.4
153.05606	0.4
153.06973	1.1
154.07683	0.2
155.04863	0.2
156.05638	0.3
157.06462	0.4
158.07266	2.5
159.08017	1.5
165.05452	4.0
165.47209	0.2
168.05721	2.5
169.06430	1.7
170.07254	1.3
171.04364	1.4
171.08009	1.7
172.05215	0.3
173.09560	1.0
175.03850	0.3
183.04362	0.3
183.08011	1.4
184.05159	1.3
185.05972	2.5
186.06723	2.4
187.07500	2.2
189.05539	0.3
196.05170	1.4
197.05956	1.9
198.06764	2.9
199.03891	2.2
199.07491	1.9
200.04704	0.3
200.72285	0.2
201.05455	0.3
201.09068	2.2
211.07530	1.8
212.04601	0.9
212.08142	0.3
213.05431	3.3
214.06207	6.7
215.06972	3.4
218.05650	0.4
219.06404	0.3
224.04665	1.1
225.05417	1.5
226.06262	0.5
227.03329	6.7
227.06821	1.6
228.07701	1.5
229.04865	0.4
229.08638	0.5
233.08046	0.4
239.07053	1.7
240.03981	0.4
240.07727	1.9
241.04913	2.1
242.05675	9.2
243.06477	1.1
246.05092	0.3
253.04764	0.9
254.05542	0.2
255.06409	3.5
256.07202	4.0
257.07993	7.1
261.07449	0.5
267.06454	1.1
268.07224	3.4
269.04367	0.3
270.02615	0.2
270.05057	1.7
283.06180	0.3
285.07507	100.0
286.07910	0.4
303.08557	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0859
Annotation	Cynandione A
Peak:m/z	Relative Intensity
50.94904	0.4
55.05482	0.9
59.38808	0.3
67.05475	2.0
69.03405	0.8
69.07034	1.8
79.05458	2.5
81.07016	3.2
83.01287	0.5
83.04948	0.6
83.08571	0.8
87.87048	0.4
90.15945	0.4
91.05466	4.0
92.09245	0.6
93.03371	0.6
93.07018	2.3
95.04921	1.9
95.08607	3.2
97.06517	0.5
98.97519	0.7
103.05452	0.5
105.07007	3.3
106.76873	0.4
107.04939	9.8
107.08583	2.9
109.06480	1.8
109.10121	1.9
111.04385	0.5
115.05396	1.8
115.87821	0.5
117.06961	1.7
119.08531	3.1
121.02860	0.6
121.06462	4.6
121.10083	1.7
122.03625	0.8
123.04415	0.6
125.05900	0.7
128.06160	1.0
129.06976	0.7
129.85057	0.4
131.04880	1.0
131.08524	0.9
133.06471	0.5
133.10138	1.9
135.04395	4.6
135.08040	1.0
135.11635	0.5
137.05942	11.1
141.06908	0.7
144.05688	2.9
144.09358	0.5
145.06450	2.3
145.10114	1.6
147.04369	7.5
147.08028	2.1
147.11632	0.7
149.05940	0.7
149.09560	1.0
151.03871	2.5
151.07512	0.7
151.36241	0.4
153.01874	0.6
153.05438	6.6
153.06659	0.7
155.08459	0.9
157.10049	0.6
158.07237	1.0
159.08000	4.7
159.11653	0.9
160.05168	0.9
161.05930	2.6
162.06720	20.0
162.08067	0.8
165.05447	10.9
165.06844	1.5
167.06972	0.5
168.04193	0.5
168.05603	2.0
169.06371	1.0
171.04414	0.6
171.08005	0.7
172.05156	0.9
173.05922	4.0
173.13156	0.6
174.06732	0.9
175.03844	1.9
175.07487	2.6
177.05363	0.6
177.09053	1.6
181.06467	0.6
183.08020	2.3
184.05211	0.5
185.05952	0.7
186.06696	0.8
187.07536	2.4
189.05388	0.6
190.06198	16.1
196.05049	0.5
198.06734	0.8
199.03795	0.7
199.07356	0.5
200.04680	0.8
201.05447	2.0
201.09093	0.8
203.03401	1.6
203.06966	0.9
205.05307	0.4
205.08572	6.1
211.07491	2.5
213.05388	1.7
214.06190	2.5
215.07060	3.6
217.04944	0.9
218.05682	25.7
225.05492	0.8
227.03329	2.3
227.06862	1.0
228.07640	0.4
229.04959	0.6
233.08057	4.5
239.06883	0.5
240.07800	1.0
241.04871	1.0
242.05766	3.7
243.06262	0.5
246.05176	20.9
249.07428	1.7
251.13605	0.4
255.06303	0.7
256.07172	2.0
257.08029	4.6
261.07507	100.0
264.06195	3.2
268.07211	1.0
285.07510	45.5
303.04935	4.0
303.08640	2.1
303.23041	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0862
Annotation	Cynandione A
Peak:m/z	Relative Intensity
55.01865	1.0
67.05479	1.4
85.40527	0.9
87.83158	1.1
91.05507	1.2
92.08650	2.9
93.06975	1.2
95.04965	1.2
105.07035	1.2
107.04937	21.5
109.10137	1.1
115.05521	1.3
117.07007	1.9
121.06481	5.8
123.04401	1.9
128.06262	1.0
133.06477	1.8
135.04390	5.3
137.05974	13.9
144.05682	1.9
145.06494	1.4
147.04402	8.2
147.07979	1.3
149.09653	1.3
151.03864	1.6
151.07521	2.1
153.01814	1.0
153.05484	1.3
153.07028	1.0
159.08035	4.7
161.05986	1.4
162.06734	20.4
164.06956	1.3
165.01917	0.9
165.05418	13.9
171.07928	1.3
173.05933	5.1
175.04019	1.6
175.07576	1.6
184.05261	1.4
185.05978	5.5
187.07541	2.1
190.06233	19.8
193.81660	1.0
200.04565	3.5
203.03349	1.4
203.07074	1.2
204.07744	1.1
205.08571	6.9
209.04388	1.4
213.05466	7.6
214.06293	1.9
215.07011	8.3
217.04961	1.5
218.05704	26.1
227.03438	1.9
231.06474	2.1
233.08115	4.8
239.07103	1.3
240.07712	1.7
242.05759	5.4
246.05190	25.4
249.07474	1.4
256.07288	1.4
257.08115	4.9
257.34409	1.5
261.07513	100.0
264.06323	1.6
268.07294	1.5
285.07526	52.8
298.04968	1.1
303.04907	7.7
303.08597	5.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.086
Annotation	Disporopsin
Peak:m/z	Relative Intensity
53.90471	0.4
55.88163	0.5
67.01861	4.6
67.05466	0.5
68.99749	1.0
69.03413	0.9
69.07055	0.6
81.07032	1.0
89.03909	4.3
91.05468	1.3
93.03365	0.9
93.06971	0.6
95.08576	0.6
97.02858	1.1
104.58305	0.4
105.07060	1.8
107.04955	0.8
107.40997	0.5
109.06487	0.7
111.04409	1.1
117.03361	17.8
119.08551	1.1
121.01639	0.4
122.03595	0.6
123.04397	2.6
125.06003	0.8
131.08530	0.6
134.03613	0.9
135.04391	1.0
137.02386	0.6
137.05959	10.1
145.02831	31.3
145.10066	0.9
146.62106	0.5
149.05943	7.0
151.07539	0.9
153.01805	100.0
153.05359	1.7
157.10143	0.8
159.11620	0.6
163.03885	2.0
171.02849	5.9
177.05431	32.7
177.06979	1.1
179.03375	5.9
184.20181	0.5
219.06535	0.6
229.04961	0.6
285.07516	2.0
287.05356	0.7
288.05209	2.1
303.05151	1.7
303.08545	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0497
Annotation	Quercetin
Peak:m/z	Relative Intensity
53.03941	0.3
55.01850	0.3
55.05495	1.4
56.96558	0.4
65.03928	0.5
67.01839	0.3
67.05487	2.1
68.99765	3.6
69.03402	0.5
69.07050	1.6
71.04935	0.2
71.83146	0.2
79.05464	1.3
81.03397	1.0
81.07040	3.0
83.04960	0.6
83.08604	0.3
91.05447	1.6
91.80313	0.2
93.03380	0.6
93.07021	2.6
94.04157	0.3
95.04942	2.0
95.08566	1.9
97.06485	0.5
98.97517	0.4
105.03395	0.3
105.06992	1.6
107.04904	0.6
107.08580	1.1
109.02885	2.0
109.10139	0.6
111.00785	2.7
111.04498	0.3
111.08062	0.4
116.98509	0.4
117.07032	0.4
119.04881	0.4
119.08540	1.8
121.02833	3.3
121.06477	0.7
121.10088	0.6
122.03622	0.6
123.04404	1.4
123.11596	0.3
124.18333	0.3
127.03899	0.6
129.06992	0.4
131.04939	0.3
131.08551	0.6
133.06456	0.4
133.10060	0.6
135.04356	1.2
137.02315	13.0
137.03378	0.6
137.05936	4.4
138.09131	0.5
139.07455	0.4
142.07690	0.3
145.06456	1.7
145.10092	0.5
147.11685	1.5
149.02309	1.1
153.01797	16.8
153.05402	0.6
155.04886	1.9
159.04346	0.4
161.05920	1.4
163.03871	1.8
164.07062	0.4
165.01796	6.2
165.12730	0.5
166.02538	0.4
166.08586	0.3
171.02895	0.4
173.05952	2.5
175.11111	1.1
177.05406	0.4
179.03351	0.5
183.02834	2.7
183.04385	2.0
187.03847	1.6
193.12181	0.3
195.02852	0.5
201.05432	7.7
205.04961	0.5
219.06555	0.6
228.04095	1.1
229.04904	14.9
239.03423	0.4
247.06030	2.1
257.04391	7.2
274.04630	1.8
275.05432	0.4
285.03793	3.3
303.04916	100.0
304.05136	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0495
Annotation	AC1L9BFA
Peak:m/z	Relative Intensity
53.03958	0.5
55.01864	1.2
55.05503	2.9
57.03439	0.9
59.82665	0.5
65.03918	1.1
67.01846	11.7
67.05487	5.6
68.99782	6.1
69.03416	4.4
69.07042	2.8
74.09637	0.5
76.55870	0.5
79.01870	0.9
79.05477	4.4
81.03426	4.2
81.07050	6.9
83.01289	0.8
83.04960	2.6
83.08591	0.9
85.02889	1.4
85.06512	0.8
89.03910	4.2
91.05451	7.9
92.66170	0.6
93.03410	1.0
93.07023	4.6
95.04955	4.0
95.08578	7.6
97.02879	3.1
97.06495	0.9
103.05469	0.8
105.06999	4.8
107.04939	3.4
107.08576	7.7
108.86064	0.6
109.02871	0.9
109.06514	2.6
109.10136	5.2
111.00792	4.1
111.04465	0.7
111.08073	0.6
113.14441	0.6
115.05413	0.7
117.03362	9.7
117.07020	1.3
119.04932	0.7
119.08555	7.5
121.02840	4.2
121.06496	0.9
121.10117	6.0
122.03570	0.7
122.11261	0.7
123.04417	3.2
123.08053	1.4
123.11698	1.2
125.02323	0.9
125.05994	1.1
125.09620	1.1
127.03883	1.1
128.06230	0.6
129.01926	0.8
129.06958	2.5
131.04956	1.4
131.08566	3.6
133.06419	0.9
133.10133	3.9
135.04414	1.2
135.08078	2.3
135.11671	1.4
137.02315	11.0
137.03294	0.9
137.05957	10.9
143.08577	0.9
144.09282	0.9
145.02831	22.1
145.06500	0.9
145.10130	4.4
147.08046	4.7
147.11703	4.3
149.05962	4.9
149.09567	1.2
151.03889	2.3
151.07542	3.0
153.01811	100.0
153.05426	2.5
153.09132	0.9
156.09390	1.0
157.10098	3.6
159.08022	0.8
159.11716	1.2
161.05995	0.8
161.13165	0.8
162.03264	0.6
163.03908	3.4
163.11206	1.0
165.01811	4.7
166.02664	0.8
171.02847	30.5
171.04283	1.2
171.11656	2.8
173.05951	2.1
173.09636	2.4
173.13235	3.3
175.11156	1.4
177.05434	20.8
179.03398	4.4
183.02872	3.1
183.04373	0.8
183.11655	1.2
185.13274	0.9
187.14766	0.9
191.10635	0.8
193.12305	1.2
199.11102	0.8
199.14813	0.9
201.05524	4.9
201.09236	0.7
201.12631	0.9
204.15086	0.8
211.14844	0.8
219.06570	1.1
225.12926	1.1
227.14250	0.6
228.04010	0.8
229.04930	13.4
247.05795	2.1
257.04379	5.1
261.07532	0.8
267.90338	0.7
274.04593	1.4
285.03928	2.3
285.07709	1.0
285.18396	3.8
303.04959	85.8
303.08615	28.2
303.19559	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	303.0495
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.56664	0.1
53.00275	0.1
53.03917	0.2
55.01862	0.4
55.74063	0.2
58.12371	0.2
59.31486	0.1
59.62900	0.2
59.63203	0.2
60.12183	0.1
64.32946	0.1
64.96182	0.1
65.03918	0.7
65.35995	0.1
67.01862	0.2
67.05492	0.3
68.99776	3.2
69.03410	0.2
72.69788	0.2
81.03385	1.0
91.05434	0.2
93.03379	0.8
95.04931	1.4
105.03358	0.2
105.06987	0.3
109.02866	1.5
111.00773	2.8
111.04425	0.2
117.06999	0.4
121.02164	0.2
121.02860	3.1
123.04401	0.9
127.03905	0.7
131.04893	0.8
133.02798	0.2
135.04393	0.9
137.02322	11.1
137.03383	0.7
139.05421	0.2
140.43246	0.2
145.02763	0.3
145.06433	1.3
149.02328	1.2
153.01805	17.2
155.04872	1.5
161.05951	1.3
163.03848	2.1
165.01801	6.1
166.02637	0.7
173.05945	2.4
177.01817	0.2
177.05440	0.3
179.03369	1.0
183.02843	2.3
183.04390	1.3
187.03883	1.5
191.03325	0.9
195.02881	0.8
201.05437	7.4
201.07361	0.3
205.04968	0.3
211.03790	0.4
213.05377	0.4
215.03322	0.4
219.06470	0.8
228.04118	0.4
229.04913	14.0
233.04390	0.2
239.03548	0.3
245.04318	0.3
247.05939	1.7
257.04395	7.7
274.04642	2.5
275.05341	0.4
285.03854	3.5
303.04935	100.0
304.05374	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0488
Annotation	Viscidulin I
Peak:m/z	Relative Intensity
53.03925	0.4
54.31362	0.3
55.01859	0.8
55.05499	0.3
56.96557	1.2
58.75130	0.2
59.17691	0.4
65.03935	0.5
67.01855	0.4
67.05475	1.5
68.99770	3.8
69.03400	0.7
79.05447	0.8
81.03407	0.8
81.07028	1.7
85.02884	0.4
85.06522	0.7
86.09677	1.8
89.04674	0.4
91.05449	1.3
93.03397	0.5
93.07025	0.4
95.04947	2.1
95.08575	0.6
97.02876	0.6
97.06502	0.8
98.97559	6.1
99.44766	0.3
100.97156	0.5
102.96839	1.7
102.98234	0.3
103.05425	0.4
105.07009	0.8
107.04931	1.5
107.08548	0.5
109.02883	2.0
109.06539	0.4
109.10127	0.5
111.00792	2.7
115.05404	0.4
116.98586	4.2
117.06983	0.5
119.04922	0.5
120.97894	1.3
121.02857	3.7
123.04365	1.2
123.11649	0.6
127.03910	0.7
131.04887	0.6
131.08533	0.3
133.02742	0.3
134.99611	2.1
135.04425	0.6
137.01343	0.6
137.02333	11.4
137.03334	0.9
137.05949	11.0
137.06830	0.3
138.06270	2.3
138.98921	0.6
141.05412	0.6
143.11882	0.3
145.06429	2.0
149.02309	1.5
151.07452	0.6
153.01796	16.3
153.05528	0.6
155.04889	1.8
157.06468	0.4
158.99614	0.8
161.05908	1.3
163.03889	2.4
165.01817	4.5
166.02557	0.6
173.05978	2.3
175.07547	0.4
177.00610	0.5
181.00041	0.4
181.79099	0.3
183.02867	3.1
183.04359	1.1
187.03841	1.5
189.09033	0.4
191.03497	0.4
195.02859	0.5
201.05437	7.4
205.04970	0.7
213.05360	0.4
219.02791	0.4
219.06543	0.6
219.10046	0.4
220.02037	0.4
228.04208	0.8
229.04924	14.7
239.03334	0.7
247.06049	1.5
257.04382	7.4
274.04672	2.5
285.03897	3.7
291.09253	0.6
303.04922	100.0
304.05283	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0494
Annotation	Quercetin
Peak:m/z	Relative Intensity
50.15607	0.3
61.06242	0.4
68.99771	3.6
69.14964	0.5
81.03421	0.8
82.83260	0.5
92.09326	0.9
93.03421	0.7
95.04941	1.0
96.06011	0.5
109.02842	2.1
111.00807	3.9
114.37301	0.4
117.07019	0.5
117.72807	0.5
119.70109	0.5
121.02878	3.5
123.04394	4.5
127.03921	0.7
135.04323	0.6
137.02318	12.1
137.03377	0.7
145.06497	0.8
149.02342	1.9
153.01811	19.5
155.04877	2.2
161.05923	0.9
163.03905	1.1
165.01793	8.2
166.02597	0.7
173.05946	2.7
179.03392	0.7
181.69943	0.5
183.02847	2.7
183.04314	1.5
187.03915	1.8
195.02933	0.6
201.05400	7.0
205.04884	0.6
219.06512	0.6
228.04156	0.8
229.04915	16.4
247.05923	1.2
257.04364	7.0
263.00745	0.5
274.04657	2.4
285.03903	3.5
303.04932	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	303.0407
Annotation	Unknow
Peak:m/z	Relative Intensity
50.28846	0.2
56.96548	1.8
82.99844	0.2
94.93419	0.3
98.97556	14.8
99.13087	0.3
99.97913	1.9
100.97160	0.5
100.97974	0.4
101.00862	1.9
102.96853	0.4
111.84176	0.2
116.98591	12.3
117.98959	0.5
118.98132	0.3
118.98991	0.4
119.01057	0.5
119.01891	12.0
120.01969	1.4
134.99617	6.6
135.99905	0.5
137.02928	3.9
138.02979	0.3
140.58992	0.3
153.00729	1.3
158.99811	0.5
160.04404	0.4
176.74025	0.3
177.00905	20.2
178.00990	5.8
182.99768	0.4
195.01974	0.4
201.00882	1.0
217.04050	4.6
218.04012	1.6
219.01945	34.9
220.02061	12.9
222.02364	0.2
225.00862	1.9
226.01015	0.5
239.42097	0.3
243.01837	5.3
244.02065	2.0
258.99753	0.6
260.04477	0.5
260.99817	3.4
261.02963	100.0
262.03113	44.8
263.02875	0.4
277.00867	0.5
279.00540	7.3
280.00903	2.5
284.04449	1.1
284.99753	0.9
285.04593	0.6
302.05594	1.2
303.00787	1.5
303.06027	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	302.3051
Annotation	Sphinganine
Peak:m/z	Relative Intensity
50.55525	0.4
54.23547	0.3
57.07066	13.5
60.51981	0.4
61.49827	0.3
62.06073	0.7
62.25430	0.4
68.20974	0.4
70.06203	0.8
70.06575	18.7
71.08614	3.9
76.82654	0.4
85.10160	1.8
85.59638	0.4
86.63451	0.4
86.63950	0.4
88.07612	19.5
102.09154	6.2
106.08653	10.9
110.83530	0.5
117.51041	0.4
142.42197	0.4
152.63266	0.4
200.81963	0.4
242.00710	0.4
258.27835	1.6
284.29443	8.4
302.30475	100.0
303.14761	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	1.2
57.03431	2.7
61.02910	4.5
65.03928	2.1
67.05492	54.7
69.03412	26.2
69.07048	21.8
73.02907	1.5
81.03420	7.4
81.72747	1.0
84.04488	1.3
84.08119	1.7
85.02885	44.8
92.62854	1.3
94.06551	4.1
95.04944	76.4
97.02866	41.3
97.71056	1.0
104.30584	1.1
109.02852	10.6
110.30492	1.2
112.07587	69.3
113.05990	6.8
122.06009	4.3
123.04389	1.6
123.39561	1.2
127.03894	6.1
136.07628	3.8
140.07039	100.0
145.04959	2.2
154.08591	9.2
158.58629	1.1
167.80513	1.1
178.08609	2.4
182.08083	48.9
199.44595	1.2
206.08084	10.2
236.09222	1.3
248.09096	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	302.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	2.4
56.09283	1.8
57.03425	3.9
61.02909	4.4
63.17940	1.7
67.05491	12.7
69.03427	20.1
70.21688	2.1
72.08151	4.8
73.02905	3.2
79.05473	8.0
79.66477	1.9
81.03405	10.1
81.07034	15.8
85.02892	81.1
91.05486	2.3
94.06554	4.4
95.04945	4.7
97.02870	56.9
99.04435	3.1
103.03929	4.5
105.79961	1.7
107.26047	1.9
108.08097	31.3
109.02875	13.1
110.06049	2.7
116.51846	1.9
119.28310	1.6
121.97904	1.9
122.05965	15.2
125.06001	12.1
126.05499	11.8
126.09140	4.7
127.03911	12.9
128.22914	2.2
136.07555	45.6
140.07059	45.2
145.04938	4.8
150.09163	13.1
152.07042	35.2
154.08594	15.1
164.07031	47.2
176.85074	2.2
178.08624	30.8
182.08098	100.0
206.08096	40.5
215.95963	1.9
218.08128	4.4
236.09161	3.6
239.52501	2.1
248.09238	10.1
259.10797	2.3
259.77744	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	301.2735
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.7
55.01851	2.2
55.05504	48.0
56.05620	2.2
56.96540	3.3
57.07064	23.0
67.05490	52.0
69.03416	3.2
69.06710	3.8
69.07050	57.8
71.04968	9.9
71.08602	6.4
79.05468	35.8
81.06535	3.5
81.07032	100.0
83.04953	3.8
83.08613	30.9
85.02882	4.0
91.05471	18.7
93.07022	51.4
94.25253	2.5
95.04945	3.8
95.08574	86.1
97.06487	5.0
97.10124	13.0
98.97531	10.6
105.06992	10.7
105.44640	2.5
107.04933	14.8
107.08575	34.5
109.10146	49.7
111.11710	4.1
111.66906	2.9
116.98596	4.6
119.04879	3.9
119.08510	2.9
121.10092	27.1
123.04407	31.7
123.11660	17.1
125.09548	3.4
131.00096	2.9
131.04848	3.3
133.10135	4.3
135.11656	23.8
136.04274	3.2
137.13167	5.3
139.11024	2.7
147.04379	11.0
149.13234	15.3
151.14818	4.8
151.89980	2.7
159.11516	3.1
163.14749	4.0
165.05498	4.5
175.03891	4.5
177.16322	3.4
183.08360	3.1
191.17853	3.7
198.51709	2.8
210.06750	2.9
226.06154	2.9
238.60265	3.1
241.08507	3.8
247.24167	22.2
301.10660	10.6
301.13843	3.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.2521
Annotation	Allylestrenol
Peak:m/z	Relative Intensity
55.05498	15.9
57.03429	4.6
57.07054	5.8
67.05493	27.7
69.07044	17.6
71.04966	14.7
79.05477	31.7
80.41390	3.6
81.07034	100.0
83.08588	7.2
89.40690	2.8
89.44753	2.9
91.05460	19.5
92.08639	3.5
93.07017	72.4
95.04975	4.4
95.08585	49.3
97.06512	14.1
105.06993	49.8
106.64616	3.8
107.08586	59.6
107.69042	3.8
109.10123	17.7
119.08563	38.5
121.10111	47.6
123.11646	15.9
131.08571	6.2
133.10095	20.5
135.11650	16.2
145.10117	16.4
147.11670	15.8
149.13205	27.5
159.11620	7.4
161.13164	25.7
163.14764	16.5
173.13222	6.9
179.31235	3.4
181.89243	3.5
187.14758	6.2
191.14117	3.9
227.18022	6.7
283.24124	20.5
301.25168	15.9
306.94461	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	301.216
Annotation	13-cis-Retinoic acid
Peak:m/z	Relative Intensity
53.03925	2.9
54.81775	1.5
55.01855	2.3
55.05505	20.0
57.07057	12.1
59.04978	3.9
64.33476	1.5
65.03916	3.7
67.05490	37.4
69.03407	8.9
69.07055	15.6
69.55008	1.7
71.04978	16.4
79.05475	34.6
81.07034	58.0
83.04936	2.1
83.08596	4.2
84.08115	1.5
85.06535	3.0
91.05458	53.1
93.07020	62.4
95.04947	23.3
95.08583	32.3
97.06499	10.5
98.97565	2.1
103.05442	4.0
105.07009	100.0
107.04949	2.8
107.08576	59.6
109.06504	38.8
109.10139	29.1
111.08025	3.7
115.05420	4.4
116.06264	2.0
117.06992	28.9
119.08550	87.2
121.06467	11.3
121.10121	35.9
123.08047	7.6
123.11668	2.7
128.06200	7.6
129.07005	15.5
130.07761	18.1
131.08537	69.5
133.06480	2.7
133.10097	54.1
135.08009	27.3
135.08974	2.3
135.11670	11.4
137.09586	2.6
141.07013	3.0
142.07753	8.3
143.08527	30.9
144.08266	1.9
144.09303	15.6
145.10101	83.4
146.07257	10.2
147.11710	19.7
149.09543	3.9
149.13274	3.3
155.08554	2.8
156.09306	7.3
157.10085	21.9
158.10887	27.4
159.11629	20.6
161.09583	56.5
161.13289	2.3
163.11189	4.1
169.10109	2.4
171.11630	12.6
173.13222	87.8
175.11104	2.5
175.14806	6.8
179.08508	8.5
181.10089	2.2
182.11021	2.5
183.11652	2.9
185.13196	9.5
187.14731	3.1
191.14293	11.0
193.10124	2.3
194.10799	3.3
195.11629	2.4
197.13219	3.4
199.14795	7.8
201.16336	3.0
209.13194	7.2
218.02119	6.8
223.14816	7.3
227.14215	2.7
233.04434	2.8
253.34111	2.5
265.19501	2.3
283.20630	3.4
301.21555	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	301.1644
Annotation	Unknow
Peak:m/z	Relative Intensity
52.57717	1.4
53.03940	2.8
55.01868	25.0
55.05503	31.0
55.67609	1.6
56.96560	2.0
57.03427	43.8
62.49134	1.5
67.05492	18.4
68.14655	1.5
68.99788	1.9
69.03410	7.8
69.07059	9.3
70.04179	1.7
70.20560	1.6
70.43999	1.6
71.04978	4.3
73.02895	16.4
79.05476	52.4
80.50249	1.7
81.03399	2.2
81.07035	100.0
81.88000	1.8
83.04962	12.5
83.08594	4.7
85.02892	3.6
85.65945	1.8
89.04890	1.8
91.05455	12.8
92.64177	2.2
93.07014	16.3
95.04929	8.5
95.08596	8.1
97.02823	1.8
97.06518	9.1
97.10149	16.0
98.07304	4.0
98.83666	1.9
98.97517	3.1
101.05943	1.8
105.07028	9.6
107.04931	7.0
107.08577	13.8
107.70652	1.7
109.06487	2.8
111.07981	2.1
116.04693	17.1
117.06961	1.9
119.08482	2.0
121.10158	2.2
125.09590	15.3
129.05455	46.7
131.04950	2.4
133.10089	3.3
134.06007	9.0
135.11664	4.0
138.17920	2.0
143.07030	3.8
146.06030	13.8
157.08553	19.2
158.91647	1.8
159.06755	3.2
160.06340	3.3
160.07489	5.9
162.05481	11.7
163.11081	3.2
171.10126	3.7
172.07617	2.7
174.07767	2.5
183.06726	4.6
184.07536	10.4
189.05450	2.8
189.11191	13.8
196.07602	9.9
197.08260	4.1
200.14011	2.5
204.04811	1.9
204.06497	15.8
209.08360	8.1
210.09030	17.9
212.10629	16.1
214.12117	3.0
217.04878	3.1
224.10666	11.8
227.12781	16.3
228.10280	2.6
238.12131	7.7
254.08054	4.2
283.15421	3.2
284.12741	74.6
301.03476	2.8
301.06873	3.2
301.10690	4.4
301.16144	37.9
303.05283	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	3.8
55.01862	1.1
55.05499	7.8
55.11613	0.5
56.96547	0.9
57.03419	0.5
65.03908	1.0
65.64198	0.5
65.91168	0.5
67.05478	3.2
69.07042	2.3
71.04945	0.6
73.02892	2.3
79.04988	1.2
79.05466	38.5
81.07034	100.0
82.07334	0.7
83.08578	1.2
91.05444	3.8
93.07001	3.3
95.04932	2.2
95.08583	7.5
97.10117	0.7
98.97550	2.8
103.05449	0.6
105.07016	2.6
107.04932	0.8
107.08553	3.0
109.10127	3.2
113.87463	0.5
115.05417	1.0
116.98569	2.3
117.05743	0.7
118.06535	0.6
119.08578	0.6
121.06467	3.2
121.10100	1.0
123.11611	1.1
130.06453	0.7
131.04890	0.7
133.05186	4.8
133.10121	1.3
134.05980	8.8
134.99652	0.8
135.11630	0.8
142.06538	0.7
145.05170	0.7
145.10057	0.6
146.05975	11.3
147.06789	2.1
149.05923	0.8
149.13203	1.0
153.05367	0.5
158.05981	2.9
159.06767	6.2
160.06264	4.4
160.07549	6.3
162.05457	15.0
167.08434	0.6
170.05934	2.7
171.06664	1.1
172.07539	2.5
173.08299	0.9
174.07787	4.5
175.08606	2.4
177.00752	0.6
177.16328	0.8
181.06381	0.7
183.06696	7.6
184.07509	12.6
185.06946	1.2
185.08363	2.0
186.05450	2.6
186.09116	0.6
187.08664	3.9
190.39993	0.5
191.17847	0.8
196.07556	14.3
197.08292	9.1
198.09137	5.3
204.06525	16.7
208.07582	0.7
209.08336	7.6
210.07091	0.9
210.09103	22.2
211.09892	3.1
212.07336	0.7
212.10675	18.7
214.12189	3.3
222.09155	1.1
223.09895	1.1
224.07082	0.8
224.10646	15.6
226.12230	3.3
227.12924	2.8
228.13756	2.5
231.07568	1.1
232.08334	2.3
236.07028	2.9
238.12248	7.9
240.13776	1.0
241.08553	1.1
242.07945	0.8
242.11702	3.2
254.08063	10.4
255.08746	0.9
255.11108	0.7
255.14803	0.7
257.16339	0.8
259.78998	0.5
266.11716	1.1
269.07831	1.0
273.07431	2.3
273.11069	1.2
283.05969	0.7
284.12738	88.5
285.13193	0.6
301.10590	2.2
301.15411	16.0
301.21042	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
55.00578	1.0
55.01854	1.1
55.05481	1.9
57.07029	1.1
64.32969	1.3
64.33282	0.9
69.58932	1.0
76.72169	1.0
79.05466	6.2
80.33850	1.0
81.07047	12.6
90.19146	1.3
91.05468	1.9
95.08593	2.7
96.73390	1.2
105.07023	6.8
107.04940	1.5
107.08515	1.5
129.06941	1.3
133.05251	1.3
134.05974	6.1
146.05989	27.5
148.07527	1.7
155.07367	1.4
156.08083	8.6
159.06790	8.1
160.07553	16.3
162.05498	7.1
167.07350	1.7
170.05986	6.4
171.06776	2.8
172.07538	5.2
174.05469	1.4
183.06754	26.1
183.08231	1.4
184.07536	55.4
185.06909	1.9
185.08360	2.6
186.09184	1.3
192.07729	1.2
196.07544	99.4
197.08313	5.8
198.09128	8.1
204.06529	4.8
205.07289	1.1
208.07594	2.0
209.08308	19.5
210.05684	1.3
210.09126	19.4
211.09840	2.0
212.10724	1.4
214.12463	2.0
220.07657	1.4
222.09210	2.3
223.09975	5.4
224.10658	39.4
225.11407	1.2
225.24329	1.3
226.12283	1.4
228.10214	5.7
228.13757	2.3
229.07286	2.5
236.06795	1.5
237.07790	1.8
238.12219	29.1
242.11749	1.7
255.11264	4.6
264.77557	1.2
266.11780	5.6
284.12756	100.0
301.12265	1.6
301.15305	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	301.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.50539	1.3
55.01860	8.7
55.05512	1.6
56.13005	1.2
56.96571	1.5
57.03429	8.0
64.45631	1.4
65.03922	7.3
67.05482	6.4
69.03435	3.1
70.06559	1.7
71.04922	1.4
72.08149	1.9
72.10155	1.5
72.33205	1.2
73.02900	39.1
79.05497	1.5
81.07046	3.1
82.70667	1.2
83.19620	1.4
84.08139	2.1
85.02894	7.4
91.05447	1.7
93.07008	2.4
95.04950	15.0
97.06533	3.6
98.09681	2.0
98.97544	1.4
103.05461	1.6
107.23811	1.4
108.76895	1.3
110.03632	3.2
111.04436	2.6
119.04950	1.8
119.08581	1.7
121.06454	2.0
121.10133	1.5
123.04388	16.2
125.02364	1.8
125.05973	5.8
138.09218	1.5
139.03813	1.6
139.24683	1.4
140.04663	87.1
142.02625	1.5
144.08061	2.7
149.05954	2.1
150.96385	1.4
151.03917	2.1
153.05460	2.6
155.07004	50.0
158.09650	2.7
167.07037	2.1
171.06497	9.1
173.08020	3.6
179.07048	3.2
181.04927	100.0
181.08531	3.5
209.08072	12.5
227.09145	32.2
301.12537	3.4
301.15533	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	301.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10188	0.9
50.36102	0.9
54.81399	0.9
55.05502	4.5
66.99924	0.9
67.05502	4.1
67.65994	0.9
69.07057	1.9
79.05463	4.4
81.07040	10.1
83.04973	2.2
85.06500	1.0
91.05462	7.2
93.07037	6.6
95.04938	2.2
95.08595	8.8
97.06501	1.8
98.97588	1.0
105.07018	6.1
107.04944	6.6
107.08581	7.2
109.06491	2.4
109.10135	2.2
115.05435	19.6
117.07000	96.9
119.08569	4.6
121.02832	2.6
121.06454	1.8
121.10139	4.6
122.03635	1.9
131.08612	1.5
132.74486	1.1
133.10133	2.2
135.04382	1.2
135.11633	2.7
135.31801	1.1
137.05956	32.6
143.08572	1.4
145.06474	100.0
145.10083	1.4
147.11671	1.9
149.57385	1.2
155.05989	1.3
159.11661	2.0
159.41753	1.1
170.60692	1.1
171.11742	1.2
177.09088	63.9
217.09589	1.3
301.10849	2.7
301.14215	5.0
301.24973	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.1067
Annotation	3'-Methoxydihydroformononetin
Peak:m/z	Relative Intensity
55.01852	1.1
55.19307	0.8
58.31466	0.7
67.05499	1.8
67.40585	0.9
74.75845	0.9
76.55598	0.9
76.63751	0.8
79.05460	4.7
81.03387	5.2
81.07037	1.7
81.54494	0.9
85.06528	0.9
86.27434	0.8
91.05455	3.6
93.07002	2.1
95.08562	1.2
103.05444	1.5
105.07011	5.8
107.04929	3.9
107.08584	0.9
109.02871	3.4
109.06480	2.0
123.03633	1.4
123.04406	20.2
127.03880	4.9
131.04930	1.9
135.04402	7.7
135.07991	2.2
137.02332	100.0
137.03409	14.5
137.05946	35.4
139.07518	1.0
148.05179	17.5
153.06955	1.0
162.03226	1.0
163.03880	15.4
163.07573	0.9
165.05446	5.0
176.04666	12.4
177.00766	0.9
191.06985	13.6
259.09595	36.8
301.10635	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	301.1068
Annotation	2,4-Dihydroxy-6,4'-dimethoxychalcone
Peak:m/z	Relative Intensity
51.02394	0.9
51.18171	0.8
53.03940	2.0
55.01862	2.4
55.05506	5.7
57.07060	2.2
67.05489	8.2
69.03407	3.6
69.07048	8.3
71.04987	1.4
76.62070	1.0
79.05467	17.4
81.07034	18.0
83.04978	1.6
83.08624	2.1
85.02907	1.3
85.06534	1.5
91.05469	8.0
93.07014	6.7
93.41210	1.0
94.67780	1.0
95.04955	9.1
95.08582	14.0
97.06520	1.6
97.10134	1.3
103.05455	5.2
105.03371	1.2
105.07033	6.1
107.04936	100.0
107.08568	7.8
109.02885	4.4
109.06520	5.8
109.10142	9.9
111.04427	1.0
113.02307	1.2
116.85547	1.0
117.03335	0.9
119.04896	1.4
119.08574	5.7
121.02861	1.2
121.06509	6.8
121.10077	2.2
123.04398	42.7
123.11681	2.3
127.03876	1.2
128.06210	1.1
131.03381	1.0
131.04912	10.5
131.08516	2.0
133.10136	5.1
135.04393	39.4
135.05376	1.7
135.08023	1.3
135.11592	1.2
137.05989	6.0
137.13254	1.5
145.10098	4.2
147.04399	1.6
149.05974	20.1
149.13246	1.2
151.03931	1.5
151.07526	1.9
153.01779	0.9
153.05486	1.9
153.06862	1.0
159.11670	1.9
161.05975	5.2
163.03897	1.9
165.05440	90.3
167.06990	4.9
171.98265	1.1
177.05496	5.3
179.07022	4.8
181.06430	1.7
195.06490	73.9
197.06097	1.2
207.06522	2.2
226.06219	1.0
230.25815	1.2
238.27257	1.0
255.10103	1.5
258.05179	17.7
283.09650	5.6
286.04657	19.3
301.07004	30.6
301.10672	42.9
301.14169	2.0
301.21649	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	300.165
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05494	2.8
56.96545	1.4
57.03428	14.1
57.07066	13.3
59.04988	18.5
61.02917	8.4
67.05493	16.0
68.45768	0.5
69.03412	3.9
70.06560	0.7
71.04975	2.7
73.02898	0.7
73.06557	0.5
81.03392	0.6
83.04990	1.1
85.02891	16.1
85.03365	0.9
85.06527	100.0
93.09611	0.5
97.02893	4.7
98.97530	0.9
99.04421	1.1
101.05986	3.1
102.06320	1.1
103.07558	40.4
119.06988	0.8
120.07361	0.7
120.08096	4.9
121.08584	33.7
127.03908	2.6
138.09126	3.7
145.04988	2.2
149.25935	0.5
155.03329	1.3
212.13902	0.7
214.43044	0.6
220.63777	0.6
228.24619	0.6
287.43362	0.6
290.11176	0.7
300.10391	3.5
300.13840	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	301.0916
Annotation	4-(beta-D-Glucosyloxy)benzoate
Peak:m/z	Relative Intensity
53.03936	2.9
55.01863	0.5
57.03427	0.7
58.73835	0.3
59.37071	0.2
60.83052	0.3
61.02911	0.8
62.11298	0.3
65.03929	0.6
65.63292	0.3
67.05486	0.5
69.03423	3.4
73.02895	0.3
77.03902	0.4
81.03391	1.4
82.97884	0.3
84.47565	0.3
85.02895	9.7
88.43056	0.3
95.04946	75.4
97.02873	2.1
103.10453	0.3
104.60855	0.3
105.04501	2.0
109.02850	0.5
111.04426	1.4
121.02843	37.4
127.03911	1.3
129.32152	0.3
139.03882	100.0
139.08647	0.8
145.04926	1.6
148.32466	0.3
154.89424	0.4
202.23218	0.3
202.34227	0.4
232.83812	0.3
262.21326	0.4
288.71982	0.4
301.12524	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	300.1287
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	1.5
55.05493	3.1
56.96556	1.4
57.03427	100.0
58.03759	1.6
59.04993	14.7
61.02909	2.4
61.91059	1.2
66.29652	1.4
69.03419	26.6
71.01342	11.7
71.04974	17.3
73.02920	1.9
74.49823	1.4
75.04457	40.5
75.38995	1.2
83.04964	2.6
84.05309	2.5
85.02888	81.5
85.06509	2.9
87.04461	23.6
87.91420	1.6
93.05498	57.3
95.01295	5.9
97.02864	47.7
99.00813	16.2
99.04421	14.1
101.06001	16.7
102.06319	7.6
103.03252	3.4
103.03922	87.6
103.07470	1.5
111.04415	8.7
113.02337	16.0
117.05479	1.6
119.06982	3.2
127.03876	6.3
131.03419	10.9
137.08090	2.5
141.01791	7.9
144.84421	1.3
145.04918	6.2
159.02869	1.8
163.80554	1.6
169.04926	6.5
169.13461	1.6
171.06526	2.5
173.04411	8.3
187.06007	3.2
215.05519	2.2
219.08583	30.9
237.09514	1.8
265.09067	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	300.0239
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93939	0.3
56.96558	6.9
60.75848	0.3
62.01934	0.3
65.09417	0.3
68.51361	0.3
71.95247	0.6
73.79497	0.3
79.89285	0.3
81.33098	0.3
98.05714	0.4
98.97561	100.0
107.76200	0.4
116.98598	64.3
134.99637	22.0
140.00221	0.6
153.00725	2.5
155.06972	0.5
187.08128	0.5
210.95822	0.3
216.98732	0.4
234.99872	0.6
235.06407	0.4
240.98648	1.7
258.99683	30.0
260.90689	0.4
277.00754	65.8
278.00946	0.4
294.98587	0.5
295.01822	1.3
300.02399	0.7
300.09702	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2579
Annotation	Ricinoleic acid
Peak:m/z	Relative Intensity
53.03926	1.0
54.81710	1.0
55.01866	0.9
55.05503	18.9
57.03426	1.0
57.07060	6.1
57.83283	0.8
59.04988	2.0
59.75379	0.9
65.03920	1.4
67.05492	28.9
69.03403	3.5
69.07049	23.5
70.82727	0.8
71.04962	4.9
71.08595	1.2
79.05468	15.5
81.07037	100.0
81.23158	1.0
83.08607	10.0
85.06535	10.8
86.11455	1.0
91.05483	9.7
92.08701	1.8
92.21681	1.0
93.07018	36.2
95.04900	1.4
95.08584	82.5
97.06503	4.1
97.10163	8.2
99.08064	6.1
105.06997	13.0
107.08578	38.0
109.10139	49.0
109.10742	0.9
111.08099	3.9
111.11743	1.1
113.09622	8.3
119.08554	15.3
121.10126	25.2
123.11680	21.8
125.09606	6.1
131.08588	1.3
133.10109	9.5
135.11670	28.1
137.13232	5.6
139.11153	2.0
145.10100	1.0
147.11650	9.2
149.02325	24.8
149.03407	2.7
149.13226	21.1
153.01898	1.0
153.12674	1.2
161.13191	8.5
161.45860	0.9
163.14806	13.2
165.16382	2.2
175.14731	7.0
177.16368	1.8
181.13593	1.0
187.87117	1.1
189.16402	6.8
191.17854	1.4
193.04924	13.3
193.15851	1.1
203.48810	1.0
237.07503	9.7
245.22630	14.6
253.00128	1.5
263.23636	17.1
281.24762	10.4
299.25705	5.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.1334
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	1.3
55.01865	1.4
55.05504	26.0
55.99858	0.6
57.03429	44.3
59.04718	1.3
59.04991	24.8
61.02913	10.1
67.14880	0.6
69.03414	5.5
71.04976	28.1
73.02898	3.6
73.06530	3.2
75.04445	1.1
81.03404	1.3
83.04966	39.1
85.02890	14.8
89.84853	0.6
92.08652	2.0
95.54789	0.7
96.04468	7.7
97.02886	4.0
99.64587	0.8
101.05994	100.0
102.06380	1.0
103.03907	1.1
109.02875	1.2
115.76418	0.7
119.07034	22.2
127.03859	1.0
137.08060	27.8
137.09058	1.3
140.03423	1.4
142.04967	5.3
170.57932	0.8
196.00134	0.7
197.47490	0.7
301.05655	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.2576
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00288	1.6
55.05505	33.1
57.03418	2.3
57.07064	10.5
63.14911	1.2
63.78211	1.3
67.05497	34.1
69.03426	2.3
69.07050	48.3
71.04974	7.9
79.05473	19.8
81.07037	100.0
83.04971	2.3
83.08608	13.9
85.06509	4.4
91.05464	8.1
93.07027	38.8
95.04995	1.4
95.08586	92.2
97.06536	1.8
97.10152	19.2
105.07003	13.5
105.17509	1.3
107.08588	35.2
109.06528	2.3
109.10144	48.0
111.11710	2.6
119.08554	15.3
121.10113	29.1
123.11678	31.6
125.09602	2.4
133.10110	8.6
135.11676	22.2
137.09642	1.7
137.13243	22.4
139.98592	1.2
141.49792	1.1
144.14743	1.3
147.11694	8.8
149.02298	5.4
149.13239	18.8
151.14745	2.0
161.13206	1.9
163.14819	12.5
175.14793	6.9
189.16422	7.8
191.17924	2.1
193.05002	2.4
203.17822	1.8
205.19510	1.4
215.57588	1.4
241.75948	1.3
245.22565	14.5
263.23752	10.2
275.35739	1.3
281.24649	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	299.1333
Annotation	3-O-(alpha-L-rhamnopyranosyl)-D-ribitol
Peak:m/z	Relative Intensity
50.06591	0.7
53.03925	3.0
55.01856	1.5
55.05500	31.1
57.03422	43.9
59.04981	19.1
61.02911	13.9
69.03402	3.6
71.04969	29.6
73.02872	1.4
73.06521	3.5
75.04394	0.7
83.04456	1.5
83.04957	40.8
85.02880	12.6
90.77494	0.7
96.04453	5.1
97.02863	1.4
101.05988	100.0
113.76872	0.7
119.06231	1.3
119.07011	24.1
119.07795	1.5
127.03872	1.1
137.08054	34.4
140.03366	1.2
142.04913	3.2
142.99240	0.8
155.61943	0.7
161.06960	0.8
222.31627	0.8
268.33777	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0759
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02361	0.2
55.05484	0.8
67.05479	0.7
69.03403	0.6
69.07055	0.3
77.27720	0.1
79.01836	4.2
79.05473	0.3
81.07038	0.9
83.04966	2.2
83.08627	0.2
85.02872	0.8
91.05445	0.2
93.07009	0.2
95.08574	0.4
97.02853	1.1
105.07002	0.4
107.01285	1.0
107.04938	0.7
107.08562	0.3
109.10145	0.2
111.04430	3.0
120.44314	0.1
123.00791	0.2
125.02333	3.9
131.08505	0.2
143.03375	9.5
145.06425	0.4
151.07480	0.2
153.01805	100.0
153.02834	4.5
163.03845	0.3
173.05949	0.3
179.03336	1.3
181.01332	1.0
189.05443	0.2
191.03348	0.3
195.02829	0.3
195.89514	0.2
201.05431	0.9
207.02896	2.3
209.04340	0.2
219.06535	1.4
221.04393	0.7
223.02376	0.8
237.03964	0.4
263.05383	1.0
281.06427	3.4
306.23495	0.2
322.49997	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	299.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
50.72284	0.2
55.05495	1.3
56.96556	0.3
62.34859	0.2
64.33554	0.2
65.03941	0.3
67.05476	1.1
67.05829	0.2
68.12534	0.2
69.03400	0.9
70.06586	0.2
71.04983	0.2
79.01839	3.6
79.05477	0.4
81.07043	1.7
83.04946	2.3
85.02886	0.5
91.05452	0.5
92.09299	0.4
93.07017	1.0
95.04922	0.2
95.08587	1.3
97.02865	1.2
98.97574	0.3
105.07002	1.2
107.01320	0.9
107.08565	0.6
109.10126	0.9
111.04423	2.2
117.06954	0.3
119.08574	0.4
121.10134	0.4
123.04403	0.3
125.02332	3.9
126.01044	3.2
127.01385	1.7
128.00740	4.3
128.02611	1.5
129.01123	1.4
129.02937	1.2
130.02359	2.1
131.02650	0.9
135.08069	0.3
142.02463	0.3
143.02150	0.3
143.03378	10.5
143.04562	0.3
145.06454	0.3
147.04398	0.3
147.11702	0.3
150.06151	0.2
153.01808	100.0
153.02841	4.6
161.05885	0.3
173.06049	0.3
179.03363	1.4
181.01321	0.5
201.05452	1.0
207.02858	2.4
219.06493	1.5
221.04562	0.4
237.03874	0.4
263.05386	0.4
281.06454	3.5
298.03326	0.4
299.03461	5.2
302.32596	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	298.0967
Annotation	5'-Deoxy-5'-(methylthio)adenosine
Peak:m/z	Relative Intensity
55.05485	0.1
57.03418	0.2
57.07063	0.2
59.15222	0.1
61.01136	7.6
69.03415	0.9
74.09678	0.2
75.02682	4.0
80.41103	0.1
83.08584	0.2
85.02887	1.6
92.09312	0.2
94.04028	0.3
97.02864	2.2
98.97548	0.5
103.02128	0.5
113.08246	0.1
116.98564	0.5
119.03498	0.9
120.08041	0.1
130.08664	0.2
130.15878	3.5
134.99651	0.2
136.06160	100.0
137.04576	0.5
145.03171	1.1
145.04961	0.3
163.04152	0.9
163.06105	0.1
163.43556	0.1
298.09601	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	298.1493
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	0.6
55.05500	5.3
56.96527	0.5
57.03419	2.7
59.04989	100.0
61.02914	0.7
66.67638	0.5
69.03401	3.6
73.06532	0.7
79.84700	0.4
81.03390	0.8
81.07056	1.7
83.04969	4.3
84.08116	0.6
85.02886	10.5
88.04260	0.5
92.08720	0.6
97.02853	3.1
98.97570	0.8
99.04456	0.6
101.05996	77.8
109.02817	0.7
119.07035	21.2
127.03846	0.7
136.09656	2.7
145.07567	1.0
149.15228	0.5
155.99606	0.6
163.08633	3.5
164.08963	3.5
166.07190	3.3
167.02534	0.6
178.33081	0.5
180.08647	1.4
187.65887	0.5
189.31560	0.5
297.14529	1.1
298.14746	6.5
298.17667	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.9918
Annotation	Unknow
Peak:m/z	Relative Intensity
55.93506	2.2
56.96552	11.6
70.95852	41.6
72.93787	1.9
88.96884	11.6
98.97562	55.8
108.69815	1.9
110.22620	1.8
116.98603	57.5
119.01157	1.9
119.01915	12.8
132.95827	3.6
134.99638	40.3
136.31625	2.0
137.02948	4.7
144.89397	2.0
148.50279	1.9
150.96873	3.1
153.00696	7.2
177.00864	9.3
190.94832	18.8
203.02484	9.9
208.95908	60.9
224.95320	4.9
232.95898	32.6
233.96596	9.9
236.85164	1.9
247.94556	7.3
250.96953	56.2
256.96283	3.1
265.95657	4.1
270.56796	2.4
274.97083	100.0
292.98203	74.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.242
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
54.91925	4.1
55.01628	5.5
55.01867	89.3
55.02122	7.5
55.05506	47.3
56.48831	3.8
57.07048	6.7
67.05493	56.7
69.06714	6.6
69.07054	100.0
70.28246	4.6
72.93755	7.5
79.05461	26.2
81.07027	44.4
83.04957	21.8
83.08583	38.3
86.84483	4.3
91.05449	6.5
93.07021	47.6
95.08573	36.3
97.06479	23.5
97.10166	4.6
105.07027	9.3
107.08605	31.7
109.10138	18.1
110.08281	4.2
111.08062	8.6
113.96366	4.2
119.08619	5.1
121.10133	19.3
123.11690	5.1
123.44331	5.4
131.08490	4.9
135.11664	20.2
138.52527	4.0
138.79903	4.4
153.12733	35.4
185.03001	4.2
191.88060	4.4
199.89795	4.5
208.88306	10.4
209.69595	4.8
214.09985	4.1
224.87926	5.8
226.89313	6.7
243.21013	8.6
250.89227	31.8
260.64853	6.7
261.22067	9.2
273.91043	8.7
279.23053	53.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.2421
Annotation	9(S)-HODE
Peak:m/z	Relative Intensity
53.00311	3.1
55.01627	5.1
55.01867	100.0
55.05506	56.1
56.77569	4.1
57.03425	6.4
57.07067	9.4
65.48135	3.3
67.05488	64.6
69.07053	98.3
71.04953	3.9
71.08614	3.8
72.93780	5.6
73.58237	3.2
79.05482	40.5
81.07039	55.2
83.04976	27.9
83.08603	60.2
91.05449	7.7
93.07029	64.7
95.08584	43.5
97.06506	21.5
97.10159	5.1
105.07029	8.2
107.08574	43.2
109.10153	24.0
111.08016	6.3
111.69493	3.5
113.96353	3.9
117.06970	4.6
119.08524	6.1
121.10133	23.7
123.11639	5.4
133.10075	4.7
135.11656	25.8
137.13225	4.1
149.09619	5.5
153.12727	48.9
159.11674	4.2
163.11023	5.1
187.14883	5.0
208.88362	17.3
209.89082	4.5
215.06487	4.0
226.89447	5.0
231.89859	7.5
233.22549	7.2
243.21069	4.2
250.89294	26.7
251.23985	5.3
251.89291	4.0
261.22122	7.6
273.90994	18.0
279.23157	51.6
297.14563	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	296.2583
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	22.0
57.07042	11.7
58.02952	8.8
60.04514	42.7
67.05486	70.7
69.07076	18.3
71.04966	23.5
72.04492	39.1
72.71237	5.2
77.07929	5.6
77.40420	5.0
78.96664	4.9
79.05470	46.9
81.07041	56.3
83.04936	5.5
83.08614	20.9
87.61388	5.8
88.65848	5.2
91.05450	25.9
93.07018	51.6
95.04961	7.7
95.08566	34.7
97.06499	7.0
105.06989	11.6
107.08579	20.9
109.10158	10.3
111.08031	11.5
119.08558	10.6
121.10104	24.0
131.08484	7.6
135.11674	8.9
145.10049	6.7
149.23416	5.7
176.96590	5.2
197.12854	5.3
237.22083	9.2
267.25641	6.8
278.24683	8.0
296.25754	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	297.1542
Annotation	Unknow
Peak:m/z	Relative Intensity
52.77294	1.3
53.03939	2.1
55.01863	2.9
55.05505	100.0
56.96563	2.0
57.03426	8.7
59.04995	11.5
61.02919	39.0
63.04476	34.3
66.69101	1.5
69.03405	12.7
71.04946	1.8
73.06530	27.9
74.06081	1.5
75.04463	72.1
75.04893	2.6
81.03397	4.0
81.07030	8.8
85.02893	53.7
91.05461	11.0
97.02870	12.9
98.97569	2.2
99.08070	11.0
102.05537	1.6
107.04890	2.3
109.02890	2.5
116.98563	3.3
117.09100	42.7
119.04918	25.8
120.06598	1.9
121.06487	2.9
123.04391	2.8
127.03922	2.9
134.99617	1.9
135.00514	10.3
135.10141	73.6
135.11185	2.5
145.04910	3.2
147.04391	36.6
152.05687	3.2
173.06033	2.1
178.03561	11.1
185.04173	18.0
207.02951	2.3
207.06526	6.8
234.37637	1.7
249.07597	1.9
297.05792	10.7
297.09424	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	295.2265
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
50.75213	3.4
55.05505	38.8
56.81991	3.5
57.07054	18.2
67.05487	86.4
69.07050	28.6
71.04990	4.3
71.08611	66.2
79.05473	73.7
80.89606	4.6
81.03410	8.3
81.07030	81.2
83.04959	21.8
83.08604	8.2
91.05443	28.4
93.07024	99.5
95.04956	20.8
95.08588	58.7
97.06490	8.7
97.10124	5.5
99.08077	31.3
105.06993	28.1
105.27586	4.5
107.04934	5.3
107.08585	44.8
109.10144	21.5
119.08545	8.3
121.10123	35.7
125.42445	4.4
129.06877	3.8
133.10091	6.3
135.11621	37.2
145.10103	5.7
151.11176	22.6
160.93802	4.2
161.13203	8.9
170.91310	5.1
179.14243	100.0
188.92410	23.4
192.57574	4.1
213.95619	21.8
267.83130	5.0
269.61719	4.5
269.98102	5.9
277.21600	50.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	296.1702
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	2.5
54.81521	0.5
55.01871	1.3
55.05509	20.3
57.03438	4.0
61.02899	3.5
69.03419	7.2
69.07044	3.7
71.04971	0.9
73.02902	0.8
79.05482	13.2
81.03400	4.7
81.07041	100.0
83.08619	2.1
85.02891	26.7
87.04459	0.9
91.03917	0.6
92.09310	0.7
97.02876	6.2
99.04433	1.0
99.08078	83.4
109.02847	2.4
117.09108	12.4
119.04928	0.7
121.07967	0.6
127.03893	4.8
127.42976	0.5
139.72963	0.5
145.04958	6.3
147.04372	2.7
155.82442	0.5
163.05992	3.3
167.10341	0.5
183.14856	0.5
224.57651	0.6
261.13254	2.7
279.81998	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2266
Annotation	Colneleic acid
Peak:m/z	Relative Intensity
54.81990	2.4
55.01849	11.6
55.05498	38.3
57.03402	2.1
57.07047	5.2
67.05148	4.2
67.05486	100.0
69.03403	4.5
69.07053	25.7
71.04980	3.8
71.08594	3.7
76.56638	2.0
77.19534	1.9
79.05468	37.3
81.07032	92.4
83.04951	11.0
83.08600	10.9
85.06511	3.2
91.05459	22.2
93.07024	29.8
95.04940	5.3
95.08582	62.4
97.06521	8.8
97.10134	4.7
99.08089	3.7
99.15981	2.0
105.06987	15.7
107.08589	16.3
109.10142	24.1
111.08075	4.3
119.08549	11.6
121.10115	8.3
123.11656	9.2
131.08563	2.7
133.06468	3.5
133.10100	11.1
135.11670	3.9
139.11177	4.0
147.11676	9.5
149.13295	3.6
151.11215	2.5
157.10075	2.4
165.12704	2.7
177.29837	2.2
277.21448	16.3
289.34280	2.5
295.22595	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	295.2266
Annotation	13-OxoODE
Peak:m/z	Relative Intensity
53.03942	24.2
55.01870	8.2
55.05506	38.6
57.03447	4.2
57.07065	4.7
57.22387	2.0
67.05495	72.3
69.03423	2.0
69.07056	48.3
71.04996	3.7
71.08614	2.2
77.03894	2.4
77.45454	2.1
78.14913	2.1
79.05473	51.9
81.03399	100.0
81.07040	70.4
82.39141	2.1
83.04978	20.3
83.08584	14.3
91.05466	29.9
93.07026	40.4
95.04958	45.3
95.08609	28.1
97.06521	8.7
97.10169	4.9
105.07020	33.2
107.08598	26.0
109.06490	10.4
109.10136	16.6
111.08093	2.7
111.15071	2.2
113.09635	2.1
119.08563	12.7
120.16373	2.0
121.10137	9.9
121.39961	2.1
123.08064	3.2
123.11683	3.5
125.09596	4.8
127.43338	2.0
131.08565	3.0
133.10098	17.6
135.08080	3.2
135.11710	5.1
147.11691	9.1
149.13260	3.2
151.11188	28.5
161.13205	3.3
165.03673	2.1
165.12726	10.0
171.11705	3.4
175.14771	2.7
179.14287	3.0
181.12292	2.1
200.33246	2.0
228.27573	2.6
228.69951	2.1
231.21078	3.2
241.19580	3.5
259.20691	2.0
274.85394	2.1
277.21579	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	295.2264
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.02356	1.2
53.00289	2.0
53.03925	2.7
55.01856	7.2
55.05502	34.5
57.03418	1.3
57.07066	13.5
65.03910	2.2
67.05489	89.9
69.06714	2.2
69.07053	36.3
71.04977	9.7
71.08601	3.1
73.19983	1.2
79.05468	78.4
81.07034	78.4
83.04951	2.6
83.08598	9.3
85.06525	6.4
87.04435	6.0
91.05456	74.4
93.07021	100.0
95.04934	15.6
95.08014	1.8
95.08588	39.2
95.09184	1.7
97.06509	11.8
97.10148	2.7
99.04411	1.8
99.88298	1.1
103.58685	1.2
105.04453	1.7
105.07008	54.8
107.04896	1.1
107.08568	38.1
109.06482	13.2
109.10123	16.5
117.07000	15.0
119.08554	39.7
121.02835	1.4
121.10106	26.8
123.11682	8.7
128.06178	1.6
129.06973	11.3
131.08531	16.1
133.06471	2.4
133.10101	37.5
135.08038	6.3
135.11646	11.2
135.59874	1.2
137.05946	1.5
137.09561	2.1
143.08530	7.5
145.10117	10.4
147.08022	7.2
147.11659	22.9
149.02321	24.9
149.09587	2.4
149.13229	8.3
151.07561	1.8
153.08989	1.3
157.10088	6.9
159.11618	1.6
161.09608	7.2
161.13211	10.3
163.11111	2.8
163.14824	7.3
165.09087	1.6
171.11652	9.3
175.11150	6.9
175.14752	6.9
177.16414	1.3
179.10612	2.2
181.12140	1.5
185.13240	4.5
189.12709	4.9
193.12210	5.5
199.14781	1.8
207.13785	5.6
217.19554	8.8
221.15218	1.8
231.17384	2.4
241.19417	5.6
247.87642	1.2
259.20496	5.7
277.21567	26.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.1382
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.1
55.01853	1.1
55.05268	0.3
55.05504	4.4
57.03225	0.2
57.03423	3.5
57.04543	0.7
59.04959	0.3
61.02643	0.2
61.02914	4.2
67.74614	0.2
69.03068	0.4
69.03411	8.7
69.07051	7.5
71.04960	0.6
72.46622	0.3
73.02908	1.9
73.06510	0.6
81.03379	3.1
84.08129	0.3
85.02884	36.0
86.09688	0.3
87.04432	1.6
87.08079	5.3
91.03919	1.6
94.04030	3.0
95.08608	0.2
97.02874	8.6
97.10143	9.0
99.04427	1.1
107.04922	1.2
109.02854	3.1
112.05118	0.3
113.92393	0.3
115.11176	2.7
123.06635	2.4
127.03880	5.3
133.02782	0.3
133.04991	0.6
133.08548	0.3
139.03938	0.3
140.19722	0.3
145.04922	4.9
148.06131	0.4
150.07716	100.0
154.84715	0.3
163.05933	1.3
195.56526	0.3
238.45055	0.3
247.37080	0.3
247.40221	0.3
295.11331	2.7
318.79617	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.175
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.3
55.05507	93.7
57.03428	2.3
59.04990	0.9
61.02910	2.4
69.03412	5.1
69.07057	10.2
69.46629	0.5
70.06570	1.2
73.02898	0.7
77.03921	1.4
81.03413	1.1
84.08122	0.9
85.02892	16.0
91.05450	0.8
95.04933	0.6
97.02892	2.7
97.10151	100.0
98.97564	2.7
103.05428	0.7
105.03384	3.9
105.07012	0.8
109.02876	0.9
115.11190	28.3
116.98585	0.8
120.08089	5.9
127.03879	0.7
133.02832	6.6
133.12241	6.0
145.05003	0.7
147.71300	0.6
151.34253	0.6
158.99611	0.7
164.34485	0.6
166.08632	0.7
177.00664	0.9
179.03413	2.3
190.27783	0.6
192.41109	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	295.2265
Annotation	(11R)-Hydroxy-6(Z),9(Z),12(Z)-octadecatrienoic acid
Peak:m/z	Relative Intensity
51.67950	1.0
53.03927	1.9
55.05503	15.6
57.03428	2.1
57.07062	2.9
58.91475	1.0
59.42287	1.0
63.65112	1.0
67.05154	1.4
67.05489	32.7
69.07054	16.5
79.05470	21.8
81.07039	100.0
83.04952	2.1
83.08594	3.0
85.06523	1.9
90.93965	1.2
91.05467	13.4
93.07020	28.6
95.04929	2.1
95.08582	72.1
97.06514	3.0
97.10157	1.7
97.54231	1.2
105.07023	20.8
106.17327	1.2
107.07861	2.6
107.08572	53.1
109.06494	2.2
109.10144	33.2
111.08068	2.3
112.16292	1.2
113.09646	1.9
119.08581	15.1
121.10130	19.1
123.08041	1.6
123.11648	9.3
125.09573	7.4
131.08534	1.9
133.10088	8.4
135.07956	1.6
135.11661	14.0
137.09584	1.8
137.13231	2.6
145.10092	5.5
147.11684	12.0
147.96692	1.2
149.13229	19.8
151.03403	1.2
151.14810	2.7
153.12674	2.2
161.13223	6.5
171.11711	2.1
173.13150	1.8
175.14742	2.4
181.78795	1.2
184.74243	1.4
185.13223	1.9
197.15378	1.6
201.16243	1.6
229.49907	1.3
231.21014	5.1
241.19545	2.9
259.20541	11.3
277.21613	19.6
295.22543	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	295.1146
Annotation	Unknow
Peak:m/z	Relative Intensity
52.07375	0.1
53.00293	0.1
53.03934	0.3
55.01843	0.3
55.05502	6.7
56.05035	0.1
57.03428	2.2
57.04538	0.7
61.02911	2.1
64.41017	0.1
69.03414	5.3
69.06710	0.2
69.07053	4.5
70.06567	0.2
71.04961	0.4
73.02882	1.0
73.06526	0.4
75.13282	0.2
81.03397	2.2
84.08123	0.2
85.02886	20.4
87.04433	0.7
87.08086	2.1
91.03928	0.8
91.05493	0.2
94.04030	3.2
95.04931	0.2
95.08572	0.7
96.05576	0.3
97.02866	4.3
97.10145	13.6
98.97550	0.2
99.04427	0.4
106.03905	0.2
108.00262	0.2
108.04344	0.3
109.02850	1.7
109.05101	0.2
112.05048	0.4
115.03878	0.3
115.11181	4.8
119.03522	0.3
120.04388	0.4
121.02827	0.3
123.06642	2.0
127.03878	3.2
133.05035	0.9
135.05354	0.3
145.04933	3.2
148.03883	0.9
148.06168	0.2
150.07724	100.0
151.08043	0.4
152.02803	0.2
163.05959	0.3
245.12935	0.2
295.11313	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	294.2426
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02726	1.5
53.01180	1.7
53.38980	1.5
55.05500	10.7
59.04982	2.4
63.53735	1.4
65.19903	2.0
67.05493	78.5
69.07052	9.4
71.04988	8.5
79.05476	20.7
81.06585	3.1
81.07037	41.1
84.85394	1.8
91.05461	18.0
93.07025	31.2
95.04945	10.0
95.08587	18.2
98.51131	1.6
98.72267	2.0
105.07028	17.9
107.08576	52.1
109.06487	8.9
109.10145	100.0
110.57710	1.8
117.06973	4.4
119.08558	17.0
121.10107	11.6
123.08042	3.9
123.11689	2.4
125.09583	7.4
129.06949	2.5
131.08560	9.7
133.10095	11.9
135.11720	2.7
137.09599	55.1
143.08569	4.2
145.10109	11.0
147.11705	3.2
151.11140	15.9
157.10120	3.1
159.11700	7.3
178.73979	1.8
185.13287	7.1
186.74525	1.9
201.16350	17.1
239.62827	1.8
241.19418	8.8
249.48123	2.1
259.20554	12.4
277.21533	11.4
290.70276	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2062
Annotation	DESMETHYLDIHYDROCAPSAICIN
Peak:m/z	Relative Intensity
51.93874	0.1
55.05503	0.2
57.07068	1.3
63.00186	0.1
66.04697	0.2
67.05480	0.3
71.08303	0.1
71.08611	1.2
72.03783	0.1
73.38457	0.1
79.05458	1.0
81.07034	0.8
91.05462	0.6
92.09307	0.1
93.07037	0.2
94.04162	2.5
95.08573	0.2
107.04960	0.2
121.10143	0.2
122.03621	9.2
124.74577	0.1
137.05954	100.0
138.06227	0.2
141.12708	1.2
158.15390	1.3
170.15379	0.2
174.69220	0.1
248.48375	0.1
294.20807	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.2061
Annotation	Unknow
Peak:m/z	Relative Intensity
54.50671	0.1
57.07058	0.8
62.65733	0.1
67.05485	0.6
68.85994	0.1
71.08599	0.5
79.05462	0.8
80.05827	0.1
81.07030	2.0
91.05455	0.6
92.09378	0.3
93.07001	0.2
94.04154	2.4
95.04909	0.2
95.64414	0.1
107.04927	0.5
109.06515	0.2
122.03623	7.9
123.11678	1.1
129.57291	0.1
137.05952	100.0
138.06227	0.2
158.15384	1.2
170.15392	1.2
171.92807	0.2
174.06319	0.1
204.07332	0.5
221.08098	0.5
222.08383	1.2
253.46227	0.1
269.93741	0.2
274.45294	0.1
294.14337	0.2
294.20798	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	294.0815
Annotation	Unknow
Peak:m/z	Relative Intensity
51.62603	0.6
54.60320	0.6
54.72171	0.6
54.81123	0.6
55.01860	1.6
57.03424	11.7
61.69084	0.6
62.77229	0.7
67.05489	1.3
69.07040	0.7
70.06563	1.0
73.02878	1.6
79.05469	0.9
83.01324	21.6
85.02889	58.5
85.06525	1.6
95.01307	1.0
97.02846	1.2
97.06500	2.9
101.02354	76.0
113.02348	52.3
113.06011	1.3
114.09171	0.9
119.03395	10.1
120.08092	3.8
126.69317	0.7
129.01813	100.0
131.03386	7.0
131.07002	1.1
132.10187	0.8
135.74927	0.9
136.07584	1.1
147.02863	56.5
150.05476	5.3
155.03239	0.7
165.03918	12.2
230.02095	3.4
235.31421	0.6
241.03389	2.7
244.27409	0.8
259.04416	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	294.1543
Annotation	Unknow
Peak:m/z	Relative Intensity
52.46376	1.0
53.03929	1.4
55.01850	2.9
55.05510	1.6
56.10682	1.1
56.96544	2.3
57.03437	9.9
59.49318	1.1
61.02909	15.1
62.67666	1.1
69.03410	22.7
69.07036	9.2
70.06538	1.8
71.04966	5.9
73.02898	5.6
76.17754	1.2
81.03393	8.6
82.69163	1.1
83.01311	1.3
85.02882	100.0
87.04443	4.7
91.03934	6.7
91.05459	1.3
97.02869	24.6
97.05839	1.0
97.06493	7.9
99.04433	2.9
109.02871	10.0
112.22055	1.1
115.07542	2.7
119.04905	2.5
119.43536	1.3
127.03881	17.6
135.04364	1.2
136.37488	1.4
136.68709	1.2
145.04959	18.4
147.04337	8.3
153.01826	1.3
163.06000	2.8
174.50809	1.2
180.08629	5.8
231.10141	2.5
285.84058	1.3
294.13507	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	294.0814
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01853	1.9
55.97600	0.8
56.96548	1.6
57.03423	11.8
67.01872	0.9
68.17108	0.8
69.03412	4.2
71.04983	1.1
72.04481	0.9
73.02889	1.7
73.62614	0.8
77.88100	0.8
81.02377	0.9
81.03378	1.1
81.15842	0.9
82.03757	1.2
83.00858	1.6
83.01323	28.8
85.02886	65.4
85.60552	1.0
88.25813	0.8
93.68515	0.8
97.02865	4.5
101.02355	92.7
109.02877	0.9
110.01246	0.9
113.02347	65.0
113.06027	1.1
114.06318	0.8
114.28596	0.8
115.03905	4.7
119.03381	11.2
129.01813	100.0
130.08701	0.9
131.00122	1.1
131.03381	5.7
139.22203	0.8
147.02858	63.7
156.54465	1.0
165.03877	12.4
186.48235	0.8
213.17256	0.8
220.49980	0.9
231.04979	1.1
241.03372	4.2
259.04419	22.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03922	2.2
55.01864	2.3
55.05505	24.7
57.03429	41.0
57.07059	1.5
59.04973	1.3
65.03941	1.5
67.05492	35.9
67.17231	1.0
69.03403	2.0
69.07050	15.9
71.04971	5.2
73.06519	1.1
79.05473	81.1
81.03412	1.2
81.07037	48.8
83.04967	4.6
83.08588	9.6
85.06533	10.6
88.07629	1.2
91.05458	71.2
92.86234	1.0
93.07018	100.0
95.04942	18.9
95.08584	31.9
97.06502	5.1
99.08067	2.0
103.05438	4.1
105.04408	1.4
105.07011	71.0
107.04925	4.0
107.08577	49.2
109.06491	12.3
109.10146	8.5
111.08068	2.1
116.13873	1.1
117.07006	18.8
119.08557	54.3
121.06465	5.8
121.10107	13.9
123.08022	6.0
128.06186	1.2
129.06960	13.4
131.08549	26.6
133.10109	25.3
135.08046	4.3
135.11682	8.2
137.09576	1.3
141.06979	2.3
142.07785	1.4
143.08534	15.1
144.09277	1.4
145.10098	18.9
147.07993	2.0
147.11671	17.6
149.05931	2.5
149.09584	4.9
149.13284	1.6
157.10081	9.1
159.11679	17.7
161.09589	2.2
161.13193	13.2
163.03854	4.7
163.07558	2.0
163.11177	2.1
169.10031	1.9
171.11682	2.3
173.13197	7.0
175.11182	2.3
175.14769	5.3
177.05426	36.4
177.12714	1.4
178.06210	35.2
183.11661	2.4
185.13234	26.2
187.11198	4.2
187.14854	1.7
191.07008	10.8
197.13196	1.9
201.16351	4.1
203.14293	19.8
205.12247	5.3
215.10567	1.6
219.14056	1.2
219.17444	15.3
221.15356	18.3
233.11662	23.2
239.17917	4.9
257.18878	14.5
275.20007	55.3
292.27353	1.4
293.21051	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	293.2108
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
50.12499	2.5
53.03941	33.4
55.01871	25.8
55.05505	100.0
57.07060	13.7
57.41379	2.3
63.36457	2.3
67.05142	3.6
67.05492	68.3
68.98810	2.4
69.07056	34.3
71.04976	3.8
75.28998	2.9
79.05477	50.0
81.03403	76.4
81.07040	55.8
81.29365	2.7
83.04967	6.7
83.08607	74.2
85.06526	3.7
91.05467	41.5
92.08613	4.8
92.09174	9.2
93.07030	47.8
95.04938	30.8
95.08568	27.2
97.06513	10.9
97.82436	2.5
105.07012	31.3
107.04929	48.8
107.08577	18.9
109.06522	12.1
109.10148	4.4
111.04427	4.5
111.08044	10.0
117.06997	17.0
119.08535	20.5
121.06467	3.2
121.10117	22.7
123.08056	10.3
125.05943	2.6
129.07028	3.4
131.04875	4.5
131.08562	18.8
133.10112	6.0
135.11673	10.5
143.08589	3.3
145.06496	6.0
145.10086	30.9
147.11649	6.2
149.09601	20.5
149.13205	3.5
149.96927	2.5
155.08540	15.7
159.11671	10.3
163.11140	26.9
165.12724	6.2
173.09599	22.3
181.04810	4.4
191.10655	6.1
201.12643	2.9
209.11737	4.3
237.11224	16.2
275.20056	26.1
293.20966	59.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.75645	3.2
50.98757	2.6
53.03930	2.8
55.01868	6.8
55.05508	39.6
57.03423	4.4
57.07066	44.4
67.05488	43.2
69.07058	31.3
71.04973	14.9
74.08475	2.7
79.05473	39.6
81.03390	6.5
81.07030	59.5
83.04971	13.1
83.07660	3.2
83.08599	14.4
87.04451	3.0
91.05457	32.5
93.07027	35.0
95.04939	100.0
95.08568	26.3
97.06515	14.8
97.10165	5.0
105.06999	20.5
106.73760	2.8
107.04932	17.6
107.08558	29.7
109.06483	13.4
109.10126	6.6
111.04426	17.6
111.30045	3.2
117.07003	13.6
119.08557	17.1
121.06483	6.0
121.10136	6.1
123.08080	6.9
125.05993	4.4
125.09628	4.8
129.05534	3.9
131.08542	11.5
133.10124	15.1
135.08075	5.5
135.11681	4.1
145.10143	15.8
147.08017	3.5
149.09648	22.4
153.05475	6.7
163.11169	17.3
175.07454	4.0
177.12738	4.7
181.04916	14.2
191.10651	19.6
191.14349	3.9
195.10153	6.5
205.12039	3.6
209.11737	28.7
219.10109	4.9
223.13252	23.4
237.11140	47.0
257.18866	3.3
258.20407	3.3
275.19940	23.5
293.17896	4.7
293.21072	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
51.95740	2.2
53.03941	39.5
55.01864	17.0
55.05499	28.5
57.07036	2.7
67.05489	60.9
69.06712	2.8
69.07054	38.7
79.05476	41.7
81.03397	78.9
81.07033	85.1
83.04964	11.2
83.08614	4.9
91.05460	75.4
93.07021	46.0
95.01306	10.6
95.04944	17.3
95.08581	42.8
97.06508	12.3
103.05409	2.8
105.06380	3.4
105.07010	100.0
107.04929	29.1
107.08578	14.7
109.06528	3.5
109.10155	5.8
117.06985	20.9
119.08559	40.8
121.06491	3.6
121.10105	5.1
123.08064	12.8
130.07684	3.5
131.08548	28.0
133.10104	39.9
135.07991	4.1
135.11635	5.3
143.08588	4.6
145.06442	3.9
145.10097	16.5
147.11667	12.4
149.09579	4.6
157.10126	3.0
159.11681	11.9
169.10126	3.3
179.14281	10.8
187.11070	3.3
223.13206	2.6
237.11079	3.5
257.19098	3.4
275.19971	48.0
295.98553	2.8
298.48788	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	293.2108
Annotation	Colnelenic acid
Peak:m/z	Relative Intensity
53.00288	1.9
53.03936	3.2
53.79460	1.1
55.01853	3.1
55.05500	22.0
57.03419	5.3
57.07066	1.5
59.24600	1.2
64.27505	1.2
65.03927	2.2
67.05138	2.1
67.05487	47.3
69.07053	24.4
71.04977	3.2
79.05477	44.8
81.03391	7.2
81.07037	100.0
83.04961	6.5
83.08595	10.0
85.06499	1.3
91.05460	33.9
93.07023	30.5
95.04938	16.1
95.08582	30.9
97.06487	5.5
97.10110	2.6
99.08030	1.3
105.07011	32.3
107.04917	6.5
107.08593	17.4
109.06506	14.7
109.10136	12.0
111.08054	2.1
117.07005	9.9
119.08556	29.7
119.26650	1.7
121.06498	5.9
121.10134	11.0
123.08041	9.3
123.11698	6.3
126.86388	1.3
128.87988	1.4
129.06921	2.7
131.08560	11.5
133.10126	19.1
135.08022	3.2
135.11674	2.9
135.48508	1.6
137.09560	2.4
145.10094	6.7
147.11685	12.0
149.09595	3.5
149.13133	1.3
151.11189	3.0
157.10172	2.4
159.11665	7.1
161.09628	1.7
163.11267	1.9
165.12860	2.1
173.13205	2.6
175.23456	1.4
177.12732	2.6
239.18013	1.7
257.18909	5.4
275.20023	28.0
293.21112	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	293.2108
Annotation	12-OPDA
Peak:m/z	Relative Intensity
55.01860	5.1
55.05506	19.6
57.03409	2.5
57.07064	3.7
67.05493	44.3
67.52145	2.5
69.07055	33.1
71.04984	6.4
79.05479	27.6
81.07038	45.6
83.04955	12.6
83.08618	4.8
83.38860	2.5
91.05454	26.1
91.81140	2.5
93.07011	32.1
95.04955	13.4
95.08584	26.3
97.06515	3.5
105.07010	31.1
107.04912	3.7
107.08568	22.7
109.06519	7.0
109.10149	12.8
117.07004	12.4
119.08563	19.1
121.06503	15.2
121.10126	5.4
127.66758	3.2
129.07011	4.0
131.08559	17.1
133.10080	23.6
133.39470	3.4
143.08597	3.7
145.10124	18.2
147.11685	14.6
149.09575	4.9
159.11690	4.1
173.13286	3.7
197.13048	3.1
245.45160	2.9
252.15781	3.2
257.18958	12.8
275.20026	100.0
293.21082	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	293.2107
Annotation	12-OPDA
Peak:m/z	Relative Intensity
50.09074	2.0
53.03923	5.7
54.81670	2.9
55.01857	14.2
55.05509	46.3
57.03424	4.7
57.07061	5.8
59.31086	2.8
60.92577	2.5
65.89374	3.0
67.05492	75.2
67.78902	2.6
69.03400	3.9
69.05286	2.7
69.07061	28.2
71.04974	15.3
79.05479	63.3
81.03411	5.3
81.07040	78.5
83.04965	14.4
83.08596	14.5
91.05466	65.1
93.07021	65.7
95.04944	45.9
95.08591	46.9
97.06506	13.3
97.10108	5.2
99.04462	5.6
105.07007	59.1
107.04937	14.4
107.08574	46.5
109.06513	16.8
109.10145	37.7
111.08029	10.6
117.06986	23.8
119.08567	48.0
121.06461	6.1
121.10142	28.4
123.08054	5.5
125.09598	5.9
127.20753	2.4
129.06961	3.7
130.59326	3.0
131.08525	31.6
133.10114	51.3
135.07999	6.8
135.11646	13.1
137.09601	14.6
143.08583	5.5
145.06537	2.9
145.10144	37.3
147.08022	2.7
147.11621	23.9
149.09605	39.0
151.11124	13.6
155.08511	4.0
157.10081	6.9
159.11696	15.3
161.13248	6.5
163.11148	28.9
165.12761	4.3
169.10094	6.3
171.11566	3.8
173.13234	6.5
176.70897	2.6
177.12712	5.1
180.10217	3.4
181.10501	3.4
183.11667	4.4
187.11217	3.4
188.64046	2.9
190.25510	2.9
197.13222	4.7
223.13176	4.6
229.19464	10.8
231.09877	2.9
237.16505	6.0
239.17928	16.8
257.18903	20.6
275.20020	100.0
293.20880	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	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.03937	2.1
53.82527	0.9
55.01851	7.4
55.05504	37.9
57.03428	2.1
57.07051	5.1
59.08593	1.0
62.40410	1.1
67.05491	22.2
69.03397	1.5
69.07053	11.8
69.82660	1.2
71.04967	2.2
76.85357	1.1
76.88747	1.0
78.82948	1.1
79.05473	32.8
79.32913	1.1
81.03378	8.5
81.06606	1.7
81.07037	25.8
83.04961	8.9
83.08594	17.1
85.00162	1.1
85.02876	3.0
85.06535	1.8
88.07569	1.2
91.05450	17.2
93.07020	21.0
95.04942	100.0
95.08577	16.7
97.06486	2.3
97.10149	14.6
99.04426	1.6
105.02880	1.3
105.07018	17.1
105.07680	1.7
105.22491	1.1
107.04934	9.0
107.08568	21.4
109.02737	1.4
109.06488	7.2
109.10124	2.1
111.04411	2.4
111.08044	1.7
117.06987	6.4
119.08537	14.3
121.06511	5.5
121.10125	10.8
123.08022	6.8
125.09618	9.8
129.06923	2.3
131.08560	9.4
133.10103	6.9
135.08043	2.6
135.11650	5.6
137.37169	1.2
143.08522	1.8
145.10080	12.1
147.08018	2.8
147.11615	2.0
149.09584	23.1
159.11641	4.4
163.11139	22.2
169.10077	1.5
177.12672	2.3
179.27594	1.2
187.11046	1.8
189.11195	2.0
191.10655	1.7
205.12181	2.2
209.11661	1.6
223.13258	29.6
237.11153	3.0
243.93080	1.1
244.25285	2.0
257.18958	2.1
275.19958	25.8
292.27505	2.1
293.21021	18.6
306.62802	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.2107
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
53.00299	2.1
53.03926	2.4
53.54069	1.2
55.01854	7.5
55.05502	26.5
56.96545	1.3
57.03415	2.9
57.07062	5.3
57.27225	1.2
62.11494	1.2
67.05136	2.4
67.05489	59.5
69.03395	2.6
69.07052	41.9
71.04967	8.6
73.70097	1.2
79.05476	40.7
81.03397	1.9
81.07038	61.0
83.04964	13.7
83.08601	8.5
85.06490	2.1
91.05461	36.3
93.07018	47.9
95.04951	19.9
95.08575	43.0
97.06491	6.5
97.10157	2.6
105.06274	1.8
105.07008	54.2
107.04938	15.2
107.08569	29.3
109.06511	26.3
109.10143	15.4
111.08057	2.6
116.98576	1.5
117.07014	12.3
119.08561	23.3
121.06476	14.3
121.10101	14.8
123.08028	9.6
123.11639	3.2
125.09570	2.4
129.06964	2.7
131.08542	27.9
133.06505	2.8
133.10104	26.5
135.08022	10.7
135.11653	6.8
137.09567	3.1
141.06895	1.6
143.08540	2.8
145.06493	2.8
145.10101	18.9
147.08015	5.4
147.11694	14.0
149.09586	8.9
149.13263	2.3
151.11157	8.4
155.08476	1.7
157.10060	5.9
159.08014	1.7
159.11685	13.8
161.09624	3.2
161.13245	1.7
163.11121	6.9
169.10072	1.9
171.11668	2.2
173.09587	2.4
173.13205	8.0
175.11169	2.5
177.12660	2.1
183.11594	2.4
187.11102	2.1
187.14742	1.9
191.14304	2.3
196.09546	1.4
196.13539	1.4
197.13188	1.9
201.12590	4.9
207.13690	2.8
219.13664	3.0
225.14839	1.4
229.19394	2.2
239.17921	2.6
247.20660	2.5
257.18918	12.2
265.60281	1.5
275.19995	100.0
293.21011	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	293.2108
Annotation	9,10-EOT
Peak:m/z	Relative Intensity
52.18237	2.3
53.00307	2.3
53.03931	6.3
54.81646	2.9
55.01863	18.1
55.05506	54.2
56.96552	5.8
57.03435	3.7
57.07058	6.0
60.36950	2.3
67.05495	73.0
69.03401	6.9
69.07053	51.1
71.04985	22.1
78.65868	3.1
79.05476	82.0
81.03409	12.4
81.07038	100.0
83.04974	15.1
83.08581	20.0
85.02871	4.5
85.06540	5.6
90.47897	3.1
91.05457	68.8
91.48192	2.6
91.68800	2.4
93.07020	66.5
95.04935	24.3
95.08569	59.5
97.06500	16.9
97.10151	18.9
98.97565	11.7
99.04450	11.9
105.07014	73.5
107.04935	14.5
107.08585	73.4
109.06496	40.2
109.10136	32.3
111.08067	6.4
116.98585	12.5
117.06985	15.8
119.04948	10.8
119.08557	60.4
121.06444	5.8
121.09241	3.0
121.10065	21.5
123.08002	6.4
123.11745	11.8
125.09599	17.5
127.11179	5.1
128.06230	3.0
129.06992	11.4
131.08522	37.5
133.10103	44.0
134.99680	5.9
135.08043	16.6
135.11635	12.0
137.09583	4.7
137.13278	3.6
138.34959	2.9
143.08553	12.7
145.10098	23.0
147.04396	33.6
147.07996	4.3
147.11691	22.9
148.28574	3.0
149.09579	19.7
149.13309	4.0
151.11177	11.0
157.10101	15.8
159.11664	11.8
161.05727	6.5
161.09682	3.7
161.13232	5.5
163.11145	14.8
171.11665	14.0
173.13235	3.8
175.11047	4.7
177.12653	3.0
183.11690	3.4
185.13106	3.5
189.11137	4.4
189.12715	3.4
199.14821	5.0
213.16339	3.2
229.19560	4.5
233.04698	2.9
239.17949	4.7
240.32671	3.4
241.18974	2.8
241.46117	2.6
257.18954	11.5
275.19922	85.8
293.17175	3.7
293.20648	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	293.1855
Annotation	Unknow
Peak:m/z	Relative Intensity
54.80992	0.1
57.03434	0.1
75.46647	0.1
86.09746	0.1
91.05453	0.6
93.07013	1.0
95.04929	0.1
105.07001	3.0
111.76667	0.1
117.07010	0.2
118.06499	0.5
119.07291	9.8
132.08101	0.1
134.09624	100.0
135.09917	0.2
184.25151	0.1
200.09407	0.1
212.10614	0.1
213.10002	0.1
226.83466	0.1
228.08917	0.2
228.58800	0.1
229.09714	0.2
242.10391	0.6
254.44084	0.1
257.12692	0.8
275.13870	0.5
293.18512	6.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1228
Annotation	Unknow
Peak:m/z	Relative Intensity
52.37924	0.9
53.03940	2.3
53.22005	0.8
55.01859	1.3
57.03431	13.7
57.07066	20.9
59.04980	1.5
61.02921	15.1
64.33368	1.1
67.05489	28.2
69.03419	25.5
69.07059	1.2
71.04984	10.8
73.02897	2.5
76.68002	0.9
81.03390	10.3
85.02887	100.0
85.06535	9.8
91.03940	4.6
95.04948	38.3
95.19265	1.0
97.02867	21.5
99.04449	1.6
109.02872	6.3
113.05195	2.3
113.05985	57.8
113.69633	0.9
123.45322	1.1
123.82712	0.9
127.03904	12.3
131.07014	82.7
142.63007	0.9
145.04944	13.9
155.99606	1.1
163.06027	1.6
299.95636	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1227
Annotation	Itoside L
Peak:m/z	Relative Intensity
51.23945	1.2
53.03923	2.2
55.01852	2.7
57.03421	6.1
57.07064	22.2
59.05001	1.7
61.02905	13.1
67.05491	33.5
69.03411	24.1
69.07053	2.8
71.04969	9.2
72.01554	1.2
73.02885	5.5
81.03393	8.8
85.02882	100.0
85.06519	15.1
87.04419	2.0
91.03929	3.3
95.04939	46.5
97.02859	22.3
99.04459	2.2
101.02327	1.6
109.02867	9.7
113.05984	78.2
127.03918	15.4
131.07008	85.0
145.04921	15.3
153.03938	1.3
163.05943	2.4
222.09164	1.4
269.30380	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.063
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96548	6.0
98.97561	16.7
107.02124	3.7
116.48141	3.0
116.98621	6.0
119.01801	2.7
128.88007	2.7
131.00102	2.8
133.93178	3.0
142.01178	2.8
143.00185	3.4
157.01694	2.8
157.03453	4.5
160.02148	5.4
161.02939	6.8
175.04477	4.5
183.99599	2.9
293.06253	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	293.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
52.11421	0.7
53.03925	0.7
54.81365	0.7
55.01856	1.3
55.05505	7.1
55.15100	0.8
55.25834	0.7
57.03423	17.7
57.07059	0.8
59.04982	1.4
61.02908	1.6
63.35213	0.7
67.05485	3.9
69.03411	8.4
69.07061	1.5
71.01325	6.4
71.04973	44.9
73.02893	4.9
75.04458	9.0
79.05467	1.4
81.03411	1.0
81.07038	1.8
83.04961	36.7
84.04027	0.8
84.11965	0.8
85.02885	100.0
86.75740	0.7
87.04447	4.0
91.05480	1.2
92.08574	0.9
92.55656	0.7
92.63263	0.9
93.07005	1.5
94.38712	0.8
95.04937	8.5
95.08569	1.7
95.80791	0.8
97.02857	3.3
97.06526	1.9
99.04430	4.4
101.06001	1.6
105.07004	1.7
107.08591	1.2
109.02872	5.8
109.06491	1.2
111.04424	23.7
111.05152	1.1
113.05962	3.7
116.63519	0.7
119.04973	0.8
121.06478	1.5
121.10062	0.8
121.52917	0.8
121.74464	0.7
123.08064	0.8
125.06014	1.1
127.03869	1.5
129.05443	17.3
135.04350	1.0
137.05963	1.4
139.03908	1.1
147.06540	6.3
151.07487	1.0
153.05450	12.6
171.06444	7.5
187.82965	0.9
201.07593	1.8
239.09027	6.7
257.10138	1.7
275.11163	5.3
293.12247	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	292.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	3.6
55.01863	9.5
55.05497	1.5
56.96547	1.1
57.03428	7.6
59.04976	1.1
61.02914	17.2
67.05479	4.4
69.03415	26.0
69.07060	6.1
71.01330	1.1
71.04974	19.3
72.05311	1.9
73.02904	5.4
79.05504	1.1
81.03397	9.7
81.80017	0.9
83.08609	3.6
84.08963	1.1
85.02893	100.0
86.03249	1.9
87.04446	2.2
91.03936	4.5
91.05439	1.0
95.01312	31.1
95.04943	11.0
97.02875	29.2
98.97488	1.2
99.04443	4.0
107.04937	1.7
108.06673	0.9
109.02843	9.8
111.04440	2.3
111.08080	7.8
112.02183	1.4
112.03950	1.3
112.07603	2.1
112.08397	1.2
113.02355	67.9
113.05980	18.8
123.04375	1.4
124.25287	0.9
125.05978	2.1
127.03906	16.8
129.09099	6.3
130.04988	2.3
130.08609	10.7
130.09467	1.6
135.04405	1.5
136.38892	0.9
145.04938	16.3
163.05988	1.7
171.06541	2.1
174.83104	1.0
180.08643	4.9
183.06425	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1951
Annotation	Ecklonialactone A
Peak:m/z	Relative Intensity
55.01863	1.7
55.05505	14.2
67.05476	7.5
69.07039	6.0
79.05465	10.6
81.07014	9.3
83.04974	2.5
83.08614	6.2
91.05470	9.4
93.07004	10.4
95.04956	3.0
95.08587	2.2
97.10142	2.0
105.06996	8.0
107.04959	1.9
107.08575	2.6
117.06968	3.0
119.04909	2.3
119.08543	3.4
121.06494	2.0
128.06090	1.7
131.08525	1.9
133.06413	5.4
133.10088	3.3
145.10143	2.0
146.52017	1.6
147.08005	2.6
149.09564	2.1
162.10391	2.3
192.13351	1.5
200.85753	1.7
273.18353	2.4
278.63785	1.6
291.19467	100.0
291.22528	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	291.1951
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
55.01863	2.0
55.05502	10.1
57.07061	6.6
59.04982	1.9
61.72064	1.1
65.82394	1.0
67.05497	8.6
69.03422	1.9
69.07054	2.7
70.06557	1.5
71.04980	9.5
72.58341	1.0
79.05476	10.8
81.07031	11.6
83.04963	6.2
83.08620	4.7
85.02874	1.4
85.06529	2.5
87.04427	1.5
88.07602	2.4
91.05464	10.1
93.07024	17.6
95.04951	9.4
95.08597	16.3
97.06508	7.4
102.09175	1.9
105.07011	21.9
107.04916	8.6
107.08574	16.9
109.06501	16.4
109.10150	7.8
111.08051	23.8
113.73990	1.1
115.05417	1.6
117.07024	5.3
119.08563	24.7
121.06493	2.8
121.10159	10.4
122.07277	2.3
123.08041	48.0
125.09634	1.3
129.06973	2.6
130.07768	5.3
131.08528	13.7
133.06454	5.9
133.10106	10.7
135.08022	11.0
135.11662	1.6
137.09605	5.6
142.07759	1.9
143.08557	5.9
144.09305	2.0
145.10117	27.1
145.80502	1.3
147.08087	5.3
147.11647	12.9
149.09613	6.2
151.07521	100.0
155.08531	1.6
155.10600	2.8
156.09305	2.0
157.10056	10.7
158.10864	1.3
159.08081	1.5
159.11671	8.7
161.09601	3.0
161.13194	1.4
163.11105	2.1
171.11710	6.8
173.09618	1.6
173.13246	6.9
174.10400	6.1
175.11110	5.3
177.09076	1.6
177.12689	2.3
179.10600	2.3
182.10773	1.6
187.11115	2.9
187.14780	2.5
189.12715	26.9
191.10599	2.0
191.14302	6.0
192.11497	4.9
197.11713	8.1
197.13295	2.4
203.14290	1.9
207.13759	46.3
211.14720	2.0
213.16422	1.9
215.14301	7.0
228.23241	3.0
229.23477	1.5
231.17458	1.6
233.15358	15.0
255.17329	2.6
273.18509	6.3
290.26764	5.2
291.19501	34.9
291.27185	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	291.1953
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.48106	1.5
53.29783	1.5
53.92690	1.5
55.05499	11.1
56.96563	3.4
66.96375	1.7
67.05479	10.5
67.38316	2.0
68.70113	1.8
69.03408	4.6
69.07059	16.0
71.04980	7.6
79.05484	22.3
81.07030	18.8
83.04957	3.8
83.08595	2.8
83.70998	2.0
85.64692	2.0
91.05473	15.7
91.28031	2.2
93.07024	48.7
95.04946	11.0
95.08593	11.3
99.04433	9.0
105.07015	26.1
107.04959	4.8
107.08552	14.4
109.06503	27.4
109.10143	4.7
111.11723	3.1
114.37962	2.2
117.07017	4.4
119.08562	12.6
121.06503	2.3
121.10130	58.4
123.04375	2.3
123.08051	10.4
129.06966	2.0
131.08546	7.5
133.10092	4.3
135.08034	4.1
139.03937	2.5
139.11179	2.5
141.06949	2.2
142.07756	2.1
143.08571	8.5
145.10120	7.8
147.07985	2.6
147.11681	3.3
149.09608	20.3
156.09311	3.0
157.10117	7.4
159.11702	4.3
165.06953	2.8
167.10645	100.0
173.13177	3.3
195.11774	2.2
197.13269	8.8
199.11118	2.7
209.87746	2.0
212.00697	2.4
233.15308	9.3
255.17416	4.2
273.18542	3.6
291.19736	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	291.1952
Annotation	Tuberatolide A
Peak:m/z	Relative Intensity
52.62996	1.0
53.03931	1.4
55.05503	19.8
57.07064	5.1
59.04985	2.7
62.44684	1.0
67.05486	8.2
67.48932	1.0
69.03413	4.9
69.07050	1.7
71.04980	8.1
72.54015	1.2
73.73333	1.1
75.36457	1.2
79.05476	23.9
81.07038	11.6
83.04961	1.8
83.08588	14.1
85.02876	2.0
85.06523	1.8
91.05437	11.8
93.07024	19.3
95.04952	10.3
95.08585	30.6
97.06497	10.4
105.06999	20.5
107.04933	36.9
107.08569	16.1
109.06511	13.4
109.10114	2.7
111.08071	37.1
113.09597	1.3
113.72827	1.2
117.06991	1.6
119.08557	17.0
121.06458	4.5
121.10107	11.8
123.04349	1.5
123.08046	54.0
125.09540	4.1
129.06953	1.4
131.08516	8.9
133.10100	17.9
135.08028	6.2
135.11687	1.9
137.09622	2.7
142.07759	1.6
143.08536	1.7
145.10094	7.1
147.08041	2.6
147.11673	9.6
149.09595	11.6
151.07526	100.0
152.66513	1.1
155.10617	1.6
156.09360	1.9
157.10068	9.3
159.11661	1.7
161.09633	2.2
161.13274	1.5
163.11128	2.1
171.11711	1.7
173.09496	1.9
173.13193	11.0
175.11140	8.0
179.10622	2.3
182.10979	1.4
189.12704	22.6
191.14273	34.2
192.11398	5.4
197.11703	6.5
197.13271	2.1
207.13768	53.1
215.14249	5.6
217.12138	2.1
231.17163	1.8
233.15321	61.5
245.18913	1.3
249.18396	1.8
273.18466	5.8
289.73700	1.3
291.19507	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	291.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03931	5.7
54.48446	1.0
55.01627	1.6
55.01869	35.7
55.05508	11.2
56.96552	1.3
57.03431	10.1
59.04995	11.0
61.02915	13.6
67.05482	1.2
68.05009	5.6
69.03416	35.7
69.06728	1.0
69.07041	11.3
71.04975	100.0
71.35774	0.9
73.02905	2.2
81.03391	16.6
81.06987	1.2
83.01351	1.7
83.04955	4.3
83.08610	31.6
85.02888	77.3
87.04439	1.7
91.03951	2.3
93.07011	6.3
94.02920	2.3
95.04949	9.9
97.02869	27.2
98.97539	4.6
99.04436	2.1
107.04977	1.0
109.02860	7.7
111.08068	48.5
112.03948	13.9
116.98603	1.8
119.08428	1.0
123.04368	1.8
127.03883	10.5
129.05463	3.9
129.09099	56.0
135.08067	1.1
137.05986	1.2
139.03813	1.6
144.05898	1.1
145.04942	4.5
147.04366	1.2
164.67789	1.0
233.56383	1.3
234.12381	1.1
241.98718	1.1
264.06201	1.0
291.12903	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1183
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
53.40894	0.3
55.01131	0.3
55.05505	1.2
56.96551	1.5
57.03424	0.7
61.02923	1.3
62.51232	0.2
67.06988	0.3
68.05015	84.2
69.03409	2.5
70.06589	0.3
70.79785	0.3
71.04980	0.3
71.66063	0.3
73.02885	0.7
74.09713	1.1
77.65022	0.3
81.03396	1.0
83.04969	3.2
84.04445	0.3
84.96001	0.4
85.02889	7.0
87.04453	0.3
94.02908	9.1
97.02869	1.7
97.56655	0.3
98.97583	0.3
99.04457	0.6
111.04417	4.7
112.03947	100.0
116.98593	0.7
127.03924	0.6
129.05452	6.8
129.06447	0.6
131.93889	0.3
143.00101	0.6
144.13812	0.5
145.04860	0.5
145.06425	0.4
146.05974	0.4
161.01234	1.3
172.07562	3.1
184.07610	0.7
191.20111	0.3
200.06964	2.0
218.07967	1.8
231.07559	0.4
243.59998	0.3
246.19460	0.3
291.08310	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.1074
Annotation	Osmundalin
Peak:m/z	Relative Intensity
53.03929	0.9
55.01860	1.1
55.05495	2.6
56.96546	0.7
57.03181	0.8
57.03432	15.3
57.27595	0.5
60.39325	0.4
61.02914	4.5
69.03121	0.5
69.03427	9.0
71.04972	2.8
73.02907	0.9
81.03393	5.2
83.04964	6.7
83.08591	2.0
83.39130	0.5
83.93893	0.5
85.02893	21.0
85.06529	0.6
86.06058	0.5
87.04440	1.9
93.07011	0.9
97.02870	6.8
98.97544	0.8
101.05994	12.4
107.93710	0.5
109.02861	2.8
111.04439	4.5
111.08070	3.1
118.24435	0.5
119.04972	0.5
123.04398	4.9
125.89191	0.7
127.03905	2.8
129.05460	100.0
129.09106	3.5
134.99643	0.6
139.03876	7.5
145.04965	1.1
147.04411	2.9
161.01186	0.8
161.05933	0.9
207.06366	0.6
219.35551	0.5
291.09198	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
51.07272	0.5
55.01863	3.9
55.05483	0.8
56.96564	0.9
57.03410	0.6
57.27679	0.4
58.65693	0.5
60.40318	0.5
65.03920	0.6
67.05486	3.1
68.02508	0.5
68.99780	1.3
69.03400	1.0
70.06569	1.4
71.04958	0.9
79.05499	0.4
79.65108	0.6
83.04977	1.2
83.08629	0.8
85.02863	2.0
91.05445	3.7
93.03388	2.5
95.04951	4.3
97.02863	1.0
98.97560	1.2
99.62591	0.5
111.04420	5.6
111.08043	1.1
115.05421	1.3
116.98572	0.9
119.04926	6.9
123.04404	68.5
126.49738	0.5
127.03881	1.0
131.04872	0.7
133.06448	2.3
135.04381	0.5
135.51678	0.5
137.02304	0.7
137.06003	0.9
139.03880	100.0
143.04909	3.7
147.04382	23.3
151.03871	2.4
153.05408	0.8
161.05959	13.6
163.03835	0.8
165.05438	9.1
169.04922	0.8
171.04387	0.6
171.08000	0.7
177.05379	1.1
177.80092	0.5
179.06972	3.7
181.04805	0.8
189.05447	1.0
207.06464	5.8
230.69574	0.6
273.07434	0.9
291.08551	5.5
291.12982	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.086
Annotation	(+)-Epicatechin
Peak:m/z	Relative Intensity
53.33029	0.4
54.82244	0.4
55.01862	1.1
64.33954	0.5
65.03927	1.1
67.05497	2.0
68.99769	3.1
83.04984	1.0
91.05479	1.1
93.03370	2.6
95.04926	3.2
103.49502	0.6
105.07034	0.7
109.22565	0.4
111.04403	4.0
115.05437	2.1
119.04913	7.0
123.04405	63.1
133.06477	1.0
137.05980	0.8
139.03882	100.0
143.04892	4.1
147.04390	21.2
150.88474	0.5
151.03894	1.1
161.05937	10.9
163.03900	2.4
165.05420	8.5
166.90073	0.4
168.75069	0.5
169.04930	0.5
177.05383	0.9
179.07036	3.4
189.05429	2.2
191.66150	0.5
206.53746	0.5
207.06537	6.3
249.07655	0.5
291.08496	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	291.0859
Annotation	[3aR-(3aalpha,3bbeta,7aalpha,8aalpha,8bbeta,8cbeta,9abeta)]-3a,3b,7a,8a,8b,8c,9,9a-Octahydro-8b-methyl-3-methylene-5H-difuro[4,3,2-ef:3',2'-h]oxireno[a][3]benzoxepin-2,5(3H)-dione
Peak:m/z	Relative Intensity
54.48369	0.4
55.01877	0.8
55.05502	0.7
55.22893	0.4
56.96553	0.9
61.52978	0.4
67.05497	2.5
69.03432	0.6
69.07030	0.6
79.05463	2.5
81.07035	4.7
83.01315	0.9
83.04961	0.7
85.02911	0.9
85.06528	0.5
91.05466	3.7
92.08636	0.5
93.07024	3.3
95.04948	2.0
95.08553	2.4
98.97549	1.9
101.06034	0.5
105.07018	2.4
107.08585	1.8
109.06498	0.8
109.10143	1.0
114.37313	0.5
115.05413	2.3
119.08566	0.9
121.06457	1.9
122.03621	2.1
123.04423	2.0
129.07007	0.5
131.08591	1.0
132.05630	0.7
133.06413	0.7
133.10088	0.8
135.04346	1.9
135.08063	0.5
136.61685	0.5
139.03874	2.1
144.05760	0.7
145.06456	5.5
145.10123	0.8
147.04425	0.6
147.07991	1.1
147.11740	0.6
149.09505	0.6
151.03937	1.9
151.07529	1.1
155.06984	5.1
158.03554	0.5
159.08029	0.9
160.05171	1.1
161.05936	4.8
162.06673	1.0
163.03877	2.2
163.07512	0.6
165.05435	22.1
167.07042	0.6
171.55734	0.5
173.05905	3.8
174.06740	2.7
175.03883	0.7
175.07495	6.5
177.05443	1.7
177.09042	0.8
178.06224	2.2
186.03098	0.5
188.04640	4.2
189.05453	4.8
189.09026	1.2
190.06175	1.2
191.06990	2.8
193.04890	1.0
202.06241	0.7
203.05222	0.8
203.06999	15.3
205.04973	2.6
206.05687	13.3
209.04451	3.3
216.04134	7.1
217.04875	0.7
217.08533	4.7
220.07329	1.0
221.08017	6.4
231.06468	22.2
233.04413	2.3
234.05191	8.8
245.08020	11.0
249.07516	100.0
263.09143	4.6
273.07468	1.2
291.08554	34.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2686
Annotation	Unknow
Peak:m/z	Relative Intensity
52.14654	0.7
55.05499	0.9
56.05030	18.6
57.06807	1.1
57.07061	16.0
58.06587	9.9
60.04499	1.8
69.68194	0.6
71.08613	6.1
74.06055	16.4
85.10164	1.5
86.06032	1.3
88.07611	68.9
104.07061	0.9
118.08635	12.0
122.08110	8.3
131.15302	0.7
211.73418	0.7
242.24733	66.0
272.25784	3.6
290.26828	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	290.2685
Annotation	Unknow
Peak:m/z	Relative Intensity
51.63480	0.2
55.05482	1.2
57.07069	16.7
58.06598	3.2
68.04987	0.3
69.20861	0.2
70.06576	31.0
71.08613	3.8
72.08134	0.4
74.04732	0.2
81.17811	0.2
84.08091	0.5
85.10155	1.7
86.09669	0.2
88.07611	44.0
102.09158	25.9
102.09707	0.3
132.10170	1.4
137.21405	0.2
146.11737	1.8
150.11234	0.6
156.00797	0.3
181.40620	0.3
184.20602	2.5
202.21780	0.2
227.78505	0.3
228.23189	70.5
272.25812	4.2
290.26837	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	291.0861
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01868	3.0
58.43281	0.4
65.03922	1.0
67.05478	2.4
68.99764	2.6
83.04960	1.6
91.05457	2.7
92.87843	0.4
93.03378	2.1
95.04938	4.2
97.02837	0.8
105.03312	0.8
111.00718	0.4
111.04406	4.0
115.05430	1.9
119.04920	7.1
123.04408	69.2
127.03863	0.6
129.10323	0.4
133.06464	1.6
137.02350	1.7
137.05954	1.7
139.03882	100.0
140.72176	0.4
143.04947	4.0
147.04384	22.7
151.03860	2.4
153.05524	1.5
161.05939	9.7
163.03851	0.5
165.05450	9.7
165.06683	0.7
169.05040	0.6
177.05447	0.8
179.07045	4.3
189.05450	2.3
207.06491	6.2
249.07423	0.6
256.62241	0.4
273.07449	0.6
291.08603	4.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2158
Annotation	Unknow
Peak:m/z	Relative Intensity
52.83150	5.8
55.05497	45.1
57.07071	55.1
59.04989	69.9
67.05481	35.1
69.07048	33.4
71.08607	16.7
79.05453	27.4
81.07027	36.4
83.04984	11.4
85.06528	100.0
88.11963	7.4
91.05469	45.1
93.07025	73.4
94.82421	8.1
95.04927	7.1
95.08589	71.8
99.08063	9.0
105.06973	55.4
107.08582	17.9
113.23411	7.7
119.08566	37.4
121.10101	10.4
125.09612	48.4
131.08548	35.5
133.10117	30.4
142.07790	10.6
143.08508	18.1
144.05466	9.3
145.10069	35.4
147.11681	9.5
155.08565	10.0
156.09332	8.5
157.10112	41.9
158.10909	17.3
159.11681	29.9
161.13223	10.4
169.10135	10.6
171.11615	9.2
173.13228	48.8
183.11661	34.0
197.13297	9.4
209.13379	9.9
271.20367	12.7
289.21558	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	289.2371
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05503	80.8
57.03431	5.3
57.07056	22.8
65.03922	6.3
67.05490	50.7
69.07052	100.0
71.04967	8.9
79.05464	30.2
81.07045	93.8
83.04944	6.7
83.08595	59.2
91.05472	32.4
93.07022	48.0
95.04978	7.3
95.08582	77.8
97.06506	9.7
97.10133	37.2
99.08055	4.2
103.05453	22.0
105.07028	22.4
107.04903	4.4
107.08578	31.9
109.10142	39.0
111.04443	16.9
111.11716	6.3
119.08557	24.1
121.10099	37.0
123.04416	56.7
123.11703	9.2
131.04890	44.5
133.10094	31.5
135.04395	26.6
135.11694	32.9
137.09563	6.9
139.03838	8.8
139.07585	4.6
146.54555	4.2
147.11609	15.3
161.05934	11.1
161.13284	8.9
164.07048	29.5
165.12665	4.9
167.07025	17.5
217.19514	25.0
235.20589	21.1
253.21600	27.0
268.19623	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	289.2372
Annotation	Unknow
Peak:m/z	Relative Intensity
54.06805	3.4
55.01839	3.8
55.05507	86.5
57.03426	4.2
57.07059	22.8
67.05500	69.3
69.06716	5.0
69.07060	100.0
71.04999	6.5
74.76127	3.7
79.05461	25.8
81.03382	5.3
81.07038	97.1
83.04955	5.0
83.08601	50.3
85.06531	5.7
89.24274	4.1
91.05453	32.3
93.07029	49.6
95.04929	4.9
95.08586	98.1
97.06523	10.7
97.10145	50.9
103.05437	26.2
105.07001	35.3
105.41473	5.0
107.04917	7.6
107.08581	36.2
109.10165	31.8
111.04423	24.1
111.08050	7.7
111.11687	17.7
119.08549	31.4
121.10130	36.0
121.60966	4.1
123.04420	47.8
123.11665	5.8
127.03939	6.2
128.89789	4.5
131.04927	62.9
133.10107	20.3
135.04414	37.6
135.11681	19.4
137.09607	7.4
137.13287	8.3
139.03854	10.5
147.08038	4.4
147.11673	18.7
149.13292	9.7
151.14810	5.1
153.59677	5.0
161.05977	5.1
161.13255	20.2
163.03891	6.0
164.07028	41.9
167.06960	32.0
171.13683	6.1
175.70572	4.5
178.83095	4.5
211.61124	4.4
217.19411	32.2
221.55016	4.9
231.26540	4.4
235.20465	33.7
241.26053	5.0
246.81039	4.2
253.21533	34.0
263.97894	5.3
289.06885	7.2
289.15295	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.2159
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03943	4.8
53.22745	2.4
54.81309	2.5
55.05513	19.8
67.05493	38.4
68.75591	2.6
69.07048	19.2
71.04974	24.7
79.05467	37.3
81.07043	55.3
81.95496	2.3
85.06531	4.3
91.05458	45.7
93.07021	88.1
95.04941	11.2
95.08581	72.8
97.06502	18.3
97.67442	2.5
103.37321	2.8
105.07014	83.7
107.08573	32.5
109.06495	17.3
109.10149	17.2
111.08038	6.2
115.05453	2.6
117.06998	15.2
119.08563	100.0
121.06490	4.0
121.10092	34.6
123.08007	2.5
123.11712	3.2
128.06215	4.2
129.06978	4.1
131.08534	29.3
133.10081	18.6
135.08060	3.1
135.11685	6.4
137.09570	14.1
142.07742	5.2
143.08542	11.1
144.09293	5.0
145.10110	32.1
147.11653	36.7
149.09604	3.7
157.10112	15.7
159.11646	25.7
161.13194	10.4
163.19182	2.7
171.11630	5.6
173.13249	4.0
175.44977	2.6
177.12688	3.8
183.11642	3.5
187.14824	13.7
197.13168	2.8
213.16380	4.2
245.04704	2.4
289.21512	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	289.2159
Annotation	17beta-Hydroxy-2alpha-methylestr-4-en-3-one
Peak:m/z	Relative Intensity
53.03943	1.9
55.05509	19.1
57.03441	2.0
57.07064	3.5
64.06886	1.8
65.31628	1.7
67.05495	20.6
69.06707	1.8
69.07049	17.5
71.04982	13.7
71.25610	2.0
73.06558	1.6
75.19473	1.6
77.09405	1.9
78.52193	1.7
79.05475	27.7
81.07038	100.0
83.08594	10.3
83.52647	2.2
85.06520	7.8
91.05464	30.5
93.07022	73.0
95.04972	14.6
95.08580	44.2
97.06515	2.8
105.07009	72.6
107.04893	3.8
107.08575	51.8
109.06503	24.2
109.10127	19.4
111.08057	15.3
117.06988	13.2
119.08559	93.8
121.06457	2.7
121.10120	40.3
123.04389	13.7
123.08038	8.6
123.11661	8.6
124.95193	1.9
129.06944	4.9
131.08513	24.1
133.10112	30.2
135.04396	2.1
135.08031	10.2
135.11691	15.5
137.09575	9.3
142.07787	9.3
143.08571	18.7
144.09355	3.0
145.10104	46.0
147.08022	2.4
147.11679	27.7
149.09598	10.2
149.13214	4.6
151.11230	2.6
155.08534	3.5
156.09334	10.6
157.10089	39.6
159.11635	25.4
161.13184	14.4
163.11234	3.7
163.14801	4.6
165.09102	2.6
167.08374	2.4
169.10103	12.5
171.11658	18.4
173.13258	23.3
175.11104	2.1
177.12703	10.4
183.11642	10.5
185.13208	10.7
187.14810	17.2
191.14218	2.8
197.13219	10.7
205.15843	15.3
211.14749	4.9
213.16373	34.1
227.17969	3.5
229.19461	11.5
231.17375	7.9
247.20573	4.9
250.35312	2.2
253.19379	11.5
271.20523	26.3
289.18491	2.2
289.21552	17.7
297.82565	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	289.1641
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03925	3.8
55.01868	5.3
55.05492	13.1
56.96573	2.0
65.03940	3.4
67.01871	2.4
67.05497	30.8
68.99761	3.5
69.03402	10.5
69.07042	21.5
71.04961	13.7
76.56345	3.2
79.05472	39.7
81.03382	2.7
81.06595	4.2
81.07036	73.6
83.04961	18.5
83.08614	5.8
85.06516	13.4
91.05453	29.9
93.03373	5.4
93.07018	100.0
95.04939	27.5
95.08575	35.9
97.06509	40.5
98.89238	2.5
98.97582	3.3
99.04420	15.1
105.07008	64.3
107.04913	13.7
107.08572	51.6
109.06496	43.5
109.10109	8.8
111.04429	12.8
111.08054	31.3
113.05992	5.6
117.06985	2.8
119.08554	33.9
121.06472	86.2
121.10115	11.6
123.04403	30.8
123.08044	10.3
123.11688	12.6
125.06007	10.4
127.03866	3.0
127.07494	14.3
129.06973	8.5
131.08559	11.8
133.06450	3.5
133.10085	41.3
135.04367	20.1
135.08034	17.0
137.05974	10.8
139.03874	66.4
139.07477	24.6
142.07733	11.9
143.08534	11.1
145.10146	18.5
147.07986	4.5
147.11662	74.1
151.03850	4.2
151.07512	4.3
151.11169	8.8
153.01773	22.1
157.08720	6.1
157.10098	19.7
161.09641	3.2
161.13203	13.8
163.03923	3.8
165.06969	4.9
165.12729	28.0
166.49403	2.2
169.12210	11.6
171.11687	16.7
175.11168	47.7
181.10025	2.4
189.12697	12.4
192.96480	2.2
193.12231	25.8
199.11122	27.4
202.46878	2.4
207.13809	10.4
211.13278	17.5
217.12192	74.8
229.08403	11.0
233.40564	2.7
235.13237	59.1
237.85092	2.3
253.14345	27.9
253.16943	2.7
271.09479	2.8
289.06412	4.2
289.10342	3.0
289.25140	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	289.1066
Annotation	7,2'-Dihydroxy-4'-methoxyisoflavanol
Peak:m/z	Relative Intensity
53.03927	1.0
55.01846	2.0
55.05500	1.0
56.96547	0.8
57.07065	0.5
62.36162	0.5
65.03912	3.0
67.01864	0.4
67.05491	8.1
68.99760	3.8
69.03371	0.5
69.07034	0.5
71.04977	0.5
72.98042	0.4
76.17458	0.4
79.05465	1.0
81.03381	0.6
81.07046	2.3
83.04948	1.7
83.08586	0.5
89.89640	0.4
91.05460	2.3
93.03383	6.7
93.06999	2.0
95.04945	4.4
95.08586	2.2
97.02861	1.0
97.06514	0.9
97.10127	0.5
98.97554	2.0
103.23908	0.5
105.07043	0.9
106.18173	0.5
107.04943	1.2
107.08591	1.1
109.02861	0.5
109.71781	0.5
109.75818	0.5
111.04414	5.6
116.98603	1.0
121.02830	1.0
121.06475	1.0
123.04391	5.5
126.84774	0.5
127.03884	0.8
127.07286	0.4
131.04927	1.1
135.04375	5.0
137.05951	12.2
139.03879	100.0
149.02287	0.5
151.03879	1.9
151.07521	5.3
163.13528	0.5
165.05467	0.6
179.06905	0.5
245.08080	0.9
289.10742	3.8
289.18939	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0915
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03917	0.3
55.01862	0.4
57.03426	0.4
61.02911	0.9
69.03417	2.1
74.17020	0.2
74.42394	0.2
81.03397	1.3
85.02891	5.6
91.03907	0.3
91.52070	0.2
95.68510	0.2
97.02868	1.9
99.04451	0.3
100.98004	0.2
109.02850	1.0
124.26461	0.2
127.03889	100.0
128.04222	0.4
274.07788	0.2
279.47086	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.1066
Annotation	6-Deoxydihydrokalafungin
Peak:m/z	Relative Intensity
53.36649	1.3
54.37897	1.2
54.81221	1.4
55.01852	8.6
55.05495	2.8
56.05049	1.3
56.96563	3.5
58.98336	1.3
63.40792	1.3
65.03918	1.8
67.05486	11.6
68.99767	9.9
69.03413	2.4
69.07043	1.6
70.06568	2.0
71.04967	2.7
72.08160	1.4
79.05482	6.9
81.07049	3.2
83.04972	2.5
85.02889	2.4
86.09660	2.5
89.03889	2.0
91.05460	7.8
93.03379	2.1
93.07013	1.8
93.12598	1.5
95.04939	7.7
95.08569	2.1
97.02856	2.6
97.06541	1.5
98.97543	7.8
103.05434	1.8
105.03340	1.8
105.07014	6.3
107.04967	11.8
109.10146	14.1
111.04420	11.1
112.11256	2.4
115.05396	6.6
116.98607	1.8
117.03333	1.9
117.06976	3.5
119.04927	1.9
119.08583	2.9
121.06499	1.7
121.10131	1.6
123.04410	73.0
126.53209	1.6
127.03853	3.2
130.12248	8.4
131.04922	3.9
131.08530	1.8
133.06442	7.5
135.04399	16.2
139.03889	19.6
141.06992	6.9
143.04880	1.8
145.06474	8.0
145.97334	1.6
147.04369	2.2
149.02214	2.5
149.05989	2.3
151.03850	8.2
153.01791	3.2
155.08554	6.7
157.06436	1.8
159.04390	2.0
160.05081	2.2
161.05995	7.6
163.03909	13.1
165.06976	3.2
169.06479	10.7
173.05959	27.9
173.09543	2.5
177.00629	1.7
177.05502	2.3
178.07751	3.3
179.08542	8.9
181.06464	2.1
182.07208	8.1
183.07988	8.2
184.05139	3.5
185.05925	22.3
187.07529	6.5
189.06882	1.9
197.05928	51.9
197.09578	7.9
200.04694	3.7
201.09113	6.3
207.08044	13.5
210.06718	10.0
211.07475	3.7
212.04648	2.2
213.05418	54.4
214.06119	2.8
215.07014	17.7
225.05499	20.8
225.09030	28.9
227.07018	2.1
229.04912	17.8
229.08629	2.0
230.05692	2.9
231.06509	8.7
235.07562	6.4
238.06209	7.9
239.07024	2.0
241.04906	2.3
242.05728	28.9
243.06480	100.0
243.10141	32.6
253.08531	53.7
256.07205	16.5
271.09589	51.7
289.07379	2.4
289.10785	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	289.0913
Annotation	Dianthoside
Peak:m/z	Relative Intensity
53.03936	9.3
57.07073	1.4
67.05489	2.2
67.30719	1.0
68.99776	2.3
69.07069	2.3
71.04963	1.7
79.05447	1.7
79.25961	1.2
81.03400	51.7
81.07050	2.6
93.07045	1.5
95.04927	2.3
95.08593	2.3
96.46015	1.2
97.02864	2.6
98.36674	1.2
98.97530	1.7
99.04420	16.4
105.07016	1.5
107.08591	2.0
109.02863	100.0
111.04441	2.5
111.73789	1.2
119.08598	1.3
123.04424	5.1
127.03893	30.5
131.31584	1.1
135.04396	2.7
137.79745	1.4
159.20872	1.3
169.04926	74.9
211.05922	9.4
242.83221	1.2
289.18143	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0702
Annotation	naringenin dibenzoylmethane tautomer
Peak:m/z	Relative Intensity
55.01864	0.6
55.08434	0.4
65.03614	0.5
65.03924	3.5
66.40966	0.5
67.01850	3.0
67.05485	0.8
68.99773	4.0
69.03411	1.3
69.98843	0.5
71.15219	0.5
79.05460	3.0
81.03419	0.6
85.02896	0.7
89.03884	0.6
91.05450	3.1
92.09331	0.8
93.03366	1.0
93.07016	0.8
95.04942	2.9
107.04932	71.9
107.08517	0.8
109.10088	0.5
111.00779	0.6
111.04420	7.3
117.03343	0.6
119.04914	4.8
121.02840	14.7
121.03699	0.8
121.04097	0.6
123.04409	20.0
127.03895	0.6
131.04849	1.1
131.08571	0.7
135.04376	11.7
139.03835	7.1
141.06966	4.0
143.74594	0.6
145.02846	0.9
147.04390	3.3
147.08000	0.7
149.02310	71.4
151.03912	1.2
153.01797	100.0
159.04372	0.6
163.03864	8.2
167.03339	7.4
169.06430	7.8
171.02885	1.2
173.06035	1.0
185.06035	0.7
187.07622	1.2
195.02818	5.2
197.05925	9.2
201.05354	0.9
213.05562	0.8
215.06978	60.9
225.05444	1.0
229.08569	0.9
242.05650	3.5
243.06462	27.6
271.05975	10.5
289.06958	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	289.0703
Annotation	(2S)-5,7,2',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
54.81792	0.3
55.01846	0.5
58.15035	0.2
60.50842	0.2
61.53267	0.3
63.02334	0.3
63.18226	0.2
65.03928	1.0
67.01852	3.5
67.05500	0.5
68.99765	2.8
69.03403	1.9
79.05450	1.4
81.03394	0.4
81.07035	0.3
83.01330	0.4
89.03890	5.4
91.05452	0.5
93.03353	1.5
95.04932	1.2
97.02866	1.5
105.06960	0.3
107.04923	4.2
108.20187	0.3
109.10155	0.5
111.00781	2.6
111.04428	7.5
117.03340	8.8
121.06428	0.4
121.10101	0.3
123.04400	10.6
127.03889	1.5
129.01807	0.3
131.04913	0.5
135.04387	22.8
135.39380	0.3
137.02296	0.7
139.03882	4.7
145.02824	10.8
149.02365	0.4
149.05965	1.4
151.03859	2.4
153.01796	100.0
156.35518	0.3
157.06412	0.3
159.04366	1.2
161.06007	1.0
163.03860	52.3
171.02835	4.5
177.05415	0.5
179.03352	5.8
187.03880	1.5
197.05956	0.3
201.05321	0.5
205.04961	0.7
214.61160	0.3
225.05443	0.4
231.06479	0.4
243.88014	0.3
247.05937	1.1
253.04848	0.3
271.05920	1.9
289.06995	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	289.0703
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
58.32743	0.6
60.16698	0.5
64.97137	0.6
65.03922	1.2
67.01875	0.8
67.05492	0.8
68.99768	4.6
69.03415	1.0
69.91626	0.6
91.05439	7.0
92.65254	0.7
95.04953	1.1
107.04935	38.4
111.04401	1.3
117.07017	0.9
119.04926	6.4
121.02834	12.0
123.04412	2.9
127.03925	1.0
131.04933	2.5
133.02788	0.7
133.52263	0.7
135.04390	3.1
139.03891	2.6
141.06923	6.5
145.02827	0.7
145.06450	1.4
147.04430	3.5
147.08006	3.6
149.02315	87.7
153.01804	33.6
153.02765	1.0
157.06497	0.9
159.04420	0.9
159.08064	1.0
163.03815	0.7
167.03386	1.4
169.06433	9.8
173.05885	1.1
181.06490	1.2
187.07449	1.5
195.02887	0.9
197.05925	11.3
215.06989	100.0
225.05496	2.5
243.06467	64.8
253.04890	2.6
259.96649	0.8
271.05933	33.9
289.06995	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0704
Annotation	2,6,3',4'-Tetrahydroxy-2-benzylcoumaranone
Peak:m/z	Relative Intensity
50.99330	0.3
53.03930	0.9
55.01856	2.6
55.05500	0.5
56.96520	0.4
60.86169	0.4
64.32813	0.5
65.03912	1.7
67.05492	6.1
68.99780	3.2
69.03407	0.7
77.03897	1.9
79.05479	2.0
81.03424	0.5
81.07036	0.9
83.01328	1.0
83.04954	0.7
85.02908	0.8
86.09711	0.7
89.03885	2.9
90.63642	0.4
91.05456	2.0
92.63422	0.5
93.03399	2.3
95.04942	8.8
97.02863	0.5
98.97552	2.2
103.05449	2.0
105.03358	4.2
107.04918	3.4
111.00792	0.9
111.04436	5.3
115.05426	0.6
116.98580	0.5
117.03355	2.6
119.04881	0.6
119.66800	0.4
123.04401	100.0
127.03873	0.7
131.04913	4.1
135.04395	12.8
139.03880	30.1
141.06956	1.0
145.02840	3.4
149.02348	0.7
149.05920	0.8
150.03082	0.5
151.03886	4.9
153.06949	0.5
159.04366	5.4
163.02496	0.8
163.03864	21.4
169.06395	1.0
173.06039	0.7
177.05376	1.0
181.08636	0.4
182.08424	0.8
183.04367	0.7
187.03816	1.8
197.05983	4.0
201.05449	0.7
205.04956	3.0
211.08699	0.9
213.05412	0.6
215.59831	0.5
225.05423	1.1
225.08969	0.7
229.05081	0.6
242.76892	0.5
243.06409	3.2
245.04388	2.6
253.04924	0.6
256.07156	0.5
271.05951	2.0
289.07022	7.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	5,7,3',5'-Tetrahydroxyflavanone
Peak:m/z	Relative Intensity
53.03931	0.3
56.21876	0.2
57.19553	0.2
58.88008	0.3
59.99384	0.2
67.01846	3.8
68.99776	2.9
69.03404	1.7
70.96593	0.2
79.05460	1.1
81.03382	0.3
81.07031	0.3
81.62949	0.2
89.03896	4.9
91.05489	0.5
93.03369	0.6
93.06992	0.2
95.04949	0.4
97.02866	0.6
107.04955	2.2
109.02869	0.3
111.00797	3.4
111.04433	2.8
111.86391	0.3
117.03358	8.6
123.04401	5.1
127.03848	0.3
131.77798	0.3
135.04391	18.3
137.02280	0.4
137.05930	0.4
139.03909	2.0
145.02826	11.4
145.03937	0.5
151.03867	1.3
153.01805	100.0
159.04375	1.5
161.06004	0.5
163.03871	49.0
164.07027	1.6
171.02821	2.6
179.03371	3.8
183.57083	0.3
187.03905	1.3
205.04980	1.2
215.06834	0.3
247.05939	0.4
253.04866	0.5
271.05966	1.4
289.06998	46.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Eriodictyol
Peak:m/z	Relative Intensity
51.02348	0.2
53.03906	0.2
54.82032	0.3
55.01847	0.5
56.96531	0.3
57.03394	0.3
57.07041	0.4
58.09722	0.2
65.03893	0.5
67.01842	2.8
67.05458	1.0
68.99757	2.5
69.03418	2.3
69.07048	0.5
79.05443	1.3
81.07000	1.4
85.02879	0.3
89.03889	5.3
91.05445	0.7
93.03362	0.4
93.07013	0.7
95.04911	0.4
95.08570	1.2
97.02861	0.6
98.97575	2.8
105.07002	0.5
107.04928	3.8
108.05241	0.5
109.10152	0.4
109.87681	0.3
111.00779	3.1
111.04428	4.1
116.98581	1.8
117.03353	8.5
121.06472	1.3
122.06783	0.6
123.04399	5.3
127.03865	0.5
131.04901	0.4
131.08533	0.4
131.63734	0.3
133.10095	0.4
134.99637	0.6
135.04391	20.5
137.02264	0.4
139.03865	2.8
140.07910	0.3
145.02824	11.9
151.03886	1.3
151.07516	2.0
152.07817	2.3
153.01802	100.0
154.02135	0.6
154.36565	0.3
156.89392	0.2
158.99597	0.4
159.04373	1.7
163.03868	50.2
170.89603	0.3
171.02846	3.7
177.00681	1.1
179.03325	4.6
187.03925	1.8
205.04967	1.0
217.15938	1.1
219.01704	0.3
221.16269	0.3
229.04948	0.4
239.83237	0.3
243.05861	0.3
243.11327	0.3
247.06026	0.5
271.05972	1.9
271.14236	0.4
288.05722	2.4
289.07004	42.1
303.68573	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Maesopsin
Peak:m/z	Relative Intensity
51.20256	1.0
51.91724	1.0
53.03939	2.4
53.70370	1.0
55.05497	1.9
57.68544	1.2
59.16259	0.9
65.03923	3.0
66.86235	1.1
67.05487	2.9
68.99768	5.1
69.03436	4.4
69.07059	2.0
79.05485	1.8
81.07038	7.3
91.05452	6.7
93.03368	1.5
93.07001	2.4
95.01175	1.2
95.04964	2.9
95.08571	1.7
97.02898	2.2
105.07021	6.8
107.04937	100.0
107.08588	1.6
109.06509	1.6
109.10124	1.8
111.04425	17.2
117.03373	1.5
119.01880	1.6
119.04955	1.7
119.08591	1.9
119.39546	1.3
121.02831	11.4
121.06507	1.5
123.04405	22.9
127.03907	5.7
131.04889	1.6
133.06488	1.6
133.10094	6.3
135.04391	26.1
137.02292	5.8
137.05949	6.2
137.26149	1.2
139.03865	18.5
141.07037	1.7
141.31407	1.3
145.03424	5.6
145.06506	1.8
145.09975	1.1
147.04358	1.9
149.01128	2.2
149.02322	61.2
151.03896	7.1
153.01804	62.8
158.06032	1.3
159.11594	1.4
163.03932	1.4
167.03395	6.0
169.03331	1.4
169.06441	6.3
175.11310	1.4
175.14764	1.9
181.06497	1.5
187.04523	9.6
197.05951	10.4
213.05443	2.0
215.06992	52.2
235.16795	1.5
242.05771	2.2
243.06502	23.4
271.05963	10.3
289.06894	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	289.0703
Annotation	Maesopsin
Peak:m/z	Relative Intensity
55.05505	4.3
57.60789	1.6
63.88365	1.8
65.03934	2.6
67.05470	9.5
67.84072	1.8
68.99776	3.7
69.03410	2.1
69.07044	10.5
71.04980	4.2
75.69385	1.7
79.05464	12.6
81.07045	28.2
83.04973	7.8
83.40833	2.1
83.91000	1.9
85.06532	3.7
91.05439	10.7
92.63298	1.9
93.07013	32.8
95.04937	11.9
95.08579	11.2
97.02885	2.0
97.06506	15.0
99.04441	3.0
105.07009	22.9
107.04200	3.1
107.04934	93.0
107.08577	22.1
109.06497	11.5
109.10138	3.0
111.04426	4.0
111.08067	7.8
119.04852	2.4
119.08561	14.0
121.02837	15.1
121.06465	30.8
121.10097	2.7
123.04429	3.0
123.11645	3.1
125.05943	2.0
127.07526	3.3
131.08517	2.9
133.10072	11.4
135.04399	12.1
135.08029	8.1
139.03880	4.7
139.07526	8.0
141.06969	3.5
143.08565	3.2
145.10051	2.7
147.11658	26.4
149.02321	82.6
153.01805	100.0
157.10063	9.4
159.07976	2.3
161.13120	3.0
165.12738	10.8
167.03345	12.1
169.06409	7.1
169.12201	2.5
175.11116	14.2
184.08771	2.0
189.12630	3.2
193.12204	9.6
193.81715	2.3
195.02904	4.6
197.05928	13.1
199.11140	10.6
203.17224	2.1
211.13316	7.0
215.06973	76.8
217.12148	25.1
235.13165	17.9
243.06471	36.5
253.14359	4.9
271.05988	11.0
289.06894	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	289.0703
Annotation	Tragopogonic acid
Peak:m/z	Relative Intensity
53.03924	0.4
53.09732	0.4
55.01863	0.9
65.03913	2.2
65.32686	0.4
65.95177	0.4
67.01830	1.0
68.99783	5.1
79.05470	0.9
91.05459	7.0
91.45610	0.5
93.03394	0.5
95.04971	0.7
103.05483	0.6
104.91830	0.5
105.07001	0.6
107.04932	40.7
108.05252	0.6
109.05476	0.5
111.04420	2.2
115.05402	0.6
119.04915	5.5
121.02831	15.3
121.03667	1.0
123.04393	3.2
127.03839	0.8
128.35464	0.6
129.06920	1.0
131.04881	2.3
131.08501	0.9
135.04356	2.7
139.03899	2.0
141.06947	6.0
144.05612	0.7
145.02835	3.0
145.06474	2.7
147.04427	4.5
147.08018	3.3
149.02316	89.7
152.06233	0.5
153.01799	29.2
153.06956	0.7
155.04878	0.5
159.04379	1.0
159.07983	2.6
163.03918	1.0
167.03360	2.8
167.06978	0.9
168.07405	0.7
169.06432	10.9
169.07652	0.8
173.05949	1.9
175.07492	0.6
185.05922	0.8
187.07507	2.9
197.05930	13.9
200.04483	0.8
213.05429	0.8
215.06993	100.0
225.05362	1.7
243.06467	69.1
253.04889	3.4
271.05936	32.8
289.07022	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	289.0703
Annotation	Eriodictyol chalcone
Peak:m/z	Relative Intensity
50.68840	0.9
53.03945	1.3
54.81739	1.0
55.01860	1.8
55.05510	1.6
56.96563	2.4
57.03426	1.2
57.07059	1.2
59.48199	1.0
65.03926	4.9
67.01851	8.5
67.05497	4.3
68.99767	2.7
69.03429	2.8
69.07050	2.4
70.91015	1.3
73.02922	1.1
73.15164	1.0
77.84739	1.2
79.05502	2.3
81.03376	2.2
81.07049	6.8
83.04976	2.4
85.02866	2.3
85.06541	1.4
89.03905	2.1
91.05449	4.4
93.03394	2.8
93.07040	3.0
95.04965	5.8
95.08588	3.0
97.02873	2.0
98.97578	8.8
104.01235	1.5
105.07030	2.8
106.20879	1.3
107.04940	43.0
107.08581	2.7
109.10137	1.5
111.04427	20.7
113.78368	1.1
116.98618	5.4
117.03365	3.1
119.08540	2.8
121.02832	2.5
121.06492	1.4
121.10146	2.5
123.04401	30.1
127.03883	3.0
131.04976	1.8
133.06465	1.6
133.10016	1.4
135.04393	38.8
137.05952	2.1
139.03888	15.6
140.25000	1.2
144.05708	2.0
145.02846	6.8
145.06471	1.9
145.10004	1.6
147.04385	1.7
147.11697	1.6
149.02328	23.0
149.13368	1.5
151.03868	9.6
153.01804	100.0
157.06422	1.5
157.10095	1.6
159.08055	2.7
161.05989	4.9
163.03862	39.5
165.05489	11.2
167.03345	2.7
170.03619	1.6
171.02832	26.4
177.05408	1.5
179.03421	1.9
185.05928	2.2
187.07509	5.6
195.02785	1.5
197.05946	2.4
201.09048	2.3
204.04149	2.2
211.07579	2.0
213.05510	6.4
215.07002	23.1
218.05850	1.8
219.06500	8.1
225.09155	2.4
229.05022	1.7
229.08542	1.8
231.65013	1.3
233.07985	6.6
243.06464	20.8
245.08025	1.5
247.06020	6.3
261.07562	12.4
271.05945	5.7
271.09659	1.7
289.07022	40.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	289.0703
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20256	1.0
51.91724	1.0
53.03939	2.4
53.70370	1.0
55.05497	1.9
57.68544	1.2
59.16259	0.9
65.03923	3.0
66.86235	1.1
67.05487	2.9
68.99768	5.1
69.03436	4.4
69.07059	2.0
79.05485	1.8
81.07038	7.3
91.05452	6.7
93.03368	1.5
93.07001	2.4
95.01175	1.2
95.04964	2.9
95.08571	1.7
97.02898	2.2
105.07021	6.8
107.04937	100.0
107.08588	1.6
109.06509	1.6
109.10124	1.8
111.04425	17.2
117.03373	1.5
119.01880	1.6
119.04955	1.7
119.08591	1.9
119.39546	1.3
121.02831	11.4
121.06507	1.5
123.04405	22.9
127.03907	5.7
131.04889	1.6
133.06488	1.6
133.10094	6.3
135.04391	26.1
137.02292	5.8
137.05949	6.2
137.26149	1.2
139.03865	18.5
141.07037	1.7
141.31407	1.3
145.03424	5.6
145.06506	1.8
145.09975	1.1
147.04358	1.9
149.01128	2.2
149.02322	61.2
151.03896	7.1
153.01804	62.8
158.06032	1.3
159.11594	1.4
163.03932	1.4
167.03395	6.0
169.03331	1.4
169.06441	6.3
175.11310	1.4
175.14764	1.9
181.06497	1.5
187.04523	9.6
197.05951	10.4
213.05443	2.0
215.06992	52.2
235.16795	1.5
242.05771	2.2
243.06502	23.4
271.05963	10.3
289.06894	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	289.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99330	0.3
53.03930	0.9
55.01856	2.6
55.05500	0.5
56.96520	0.4
60.86169	0.4
64.32813	0.5
65.03912	1.7
67.05492	6.1
68.99780	3.2
69.03407	0.7
77.03897	1.9
79.05479	2.0
81.03424	0.5
81.07036	0.9
83.01328	1.0
83.04954	0.7
85.02908	0.8
86.09711	0.7
89.03885	2.9
90.63642	0.4
91.05456	2.0
92.63422	0.5
93.03399	2.3
95.04942	8.8
97.02863	0.5
98.97552	2.2
103.05449	2.0
105.03358	4.2
107.04918	3.4
111.00792	0.9
111.04436	5.3
115.05426	0.6
116.98580	0.5
117.03355	2.6
119.04881	0.6
119.66800	0.4
123.04401	100.0
127.03873	0.7
131.04913	4.1
135.04395	12.8
139.03880	30.1
141.06956	1.0
145.02840	3.4
149.02348	0.7
149.05920	0.8
150.03082	0.5
151.03886	4.9
153.06949	0.5
159.04366	5.4
163.02496	0.8
163.03864	21.4
169.06395	1.0
173.06039	0.7
177.05376	1.0
181.08636	0.4
182.08424	0.8
183.04367	0.7
187.03816	1.8
197.05983	4.0
201.05449	0.7
205.04956	3.0
211.08699	0.9
213.05412	0.6
215.59831	0.5
225.05423	1.1
225.08969	0.7
229.05081	0.6
242.76892	0.5
243.06409	3.2
245.04388	2.6
253.04924	0.6
256.07156	0.5
271.05951	2.0
289.07022	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	288.2892
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00285	0.5
55.05500	0.5
57.06811	0.6
57.07067	14.0
58.06578	1.7
61.66979	0.4
62.06067	0.4
70.06198	0.8
70.06577	19.4
71.08614	6.3
73.63100	0.4
74.06067	0.5
76.69942	0.4
85.10155	1.9
86.16244	0.4
88.07611	24.5
91.05489	0.8
92.05795	0.4
92.08673	1.0
93.07052	0.5
95.08636	0.5
97.54755	0.4
97.68034	0.4
102.09158	5.6
102.87860	0.4
103.05447	0.4
105.06997	0.9
106.08651	16.1
107.04924	0.9
107.08596	0.5
107.89003	0.4
108.05268	2.1
111.52150	0.4
118.81570	0.5
121.06496	0.9
122.06774	1.8
143.13640	0.5
151.07506	2.7
152.07858	2.9
226.25267	0.6
244.26315	0.8
270.27881	8.0
288.28903	100.0
289.29285	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1439
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	0.7
55.01859	0.7
55.05507	0.7
57.03432	1.5
61.02899	1.6
64.32487	0.9
69.03420	6.7
72.08150	1.4
73.02899	1.2
81.03421	1.0
85.02890	26.2
85.98751	0.7
91.05461	100.0
93.07001	0.6
97.02865	15.6
99.04438	0.8
114.35693	0.8
127.03905	4.3
129.06992	0.7
133.06377	0.9
145.04945	4.2
156.38141	0.7
161.04364	0.8
163.05969	1.1
167.35182	0.7
192.52274	0.7
203.58871	0.7
212.01520	0.6
239.56839	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	288.1074
Annotation	Volkenin
Peak:m/z	Relative Intensity
52.98623	0.2
53.03936	0.5
55.01852	1.4
55.05479	0.2
56.96552	0.5
57.03424	0.4
57.07066	0.3
61.02900	0.6
69.03423	1.6
70.06569	1.4
70.95820	0.3
71.44523	0.2
72.08134	0.4
72.93775	1.0
73.02890	0.3
78.88864	0.2
79.05485	0.3
80.05000	5.5
81.03397	1.1
81.03873	0.2
84.08125	0.5
85.02885	4.8
86.09676	0.5
90.94791	0.4
91.05473	0.3
92.09382	0.2
95.01301	0.6
95.97072	0.2
96.04460	1.6
97.02867	2.0
98.02352	0.2
99.04417	0.3
108.04459	100.0
109.04807	0.2
113.96367	1.4
114.06616	0.3
126.05492	21.5
127.03901	3.6
128.03401	0.4
131.97429	1.1
137.05949	0.5
138.05501	0.4
138.46663	0.2
139.03889	0.3
140.03369	0.3
140.07060	0.3
150.96889	1.1
156.06514	0.3
158.04535	0.3
167.84480	0.2
174.03926	0.4
181.99031	0.2
182.04379	0.2
186.07600	0.2
193.00156	0.4
228.05003	0.3
229.15445	1.4
252.08710	0.4
288.20255	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.2214
Annotation	Unknow
Peak:m/z	Relative Intensity
51.64746	2.8
53.03932	5.1
54.81597	3.3
55.01856	4.5
55.05504	56.3
57.03407	4.5
57.07064	4.1
57.41307	2.5
65.03914	4.8
67.05485	73.5
69.03413	5.1
69.07056	64.8
71.04974	6.1
79.05463	49.3
81.06557	3.4
81.07032	92.5
82.71535	3.2
83.04965	20.0
83.08577	27.9
83.25574	2.7
85.06516	15.8
88.32222	3.4
89.03979	3.3
91.05458	29.2
93.07018	67.7
95.04945	5.6
95.08582	100.0
97.06509	24.7
97.10159	15.9
105.07027	16.4
107.04935	41.9
107.08574	27.9
109.06474	4.2
109.10148	44.7
111.08096	6.8
111.11720	3.9
117.06956	3.3
119.08577	22.2
121.02827	5.6
121.06490	38.8
121.10107	48.2
123.11635	5.0
131.08543	13.6
133.10074	12.1
135.11644	5.9
139.07555	6.4
139.11139	15.9
141.51402	3.1
143.08495	4.1
145.02867	4.7
145.10083	16.1
147.04407	16.8
147.11671	4.3
151.07518	82.5
153.01811	7.8
157.02773	4.0
159.11636	5.8
161.13261	5.1
173.02338	5.7
175.03877	5.3
203.03346	32.7
215.17926	6.1
233.18991	21.1
251.20016	89.1
269.21085	28.1
287.05502	70.1
287.08603	6.7
288.05856	3.9
289.90781	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	287.2365
Annotation	11-cis-Retinol
Peak:m/z	Relative Intensity
55.05502	8.3
57.07069	60.1
61.47538	4.8
62.06079	20.4
63.23901	5.0
63.32154	4.9
67.05501	36.3
69.07052	20.7
70.57001	4.9
71.08611	24.9
76.67785	5.6
77.87926	5.9
79.05486	25.0
81.07037	100.0
83.08574	8.3
85.10188	7.4
91.05469	20.9
93.07029	82.7
95.04932	6.8
95.08585	60.2
97.06511	11.7
97.10246	4.9
98.68865	4.6
105.07020	55.5
107.04956	53.1
107.08584	61.7
109.10164	50.2
114.22435	4.9
117.06998	7.2
119.08568	60.5
121.06495	29.2
121.10129	51.6
123.11651	9.1
131.08571	11.9
131.52394	4.9
131.89850	6.3
133.10107	24.7
135.11716	13.1
137.09581	6.7
137.71957	5.8
139.07512	7.1
145.10144	21.6
147.11662	12.9
149.13231	20.5
151.07520	61.6
157.10129	11.3
159.11667	26.4
161.13297	21.5
163.14851	7.8
171.11729	19.7
173.13255	8.4
175.14888	5.7
180.95178	5.0
189.16335	6.3
199.14697	9.6
213.16524	6.7
223.83733	5.9
269.22604	38.2
286.31027	89.4
287.05481	30.8
287.20602	8.0
287.23703	63.5
287.31274	90.8
305.68619	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	287.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01844	0.6
55.05504	0.9
57.03417	1.4
67.01862	1.0
67.05480	2.7
68.99768	1.6
69.03399	1.0
69.07040	1.5
69.48596	0.6
71.04953	1.0
78.04678	1.1
79.05478	9.1
81.07040	2.9
85.70987	0.6
89.03895	0.8
91.05464	6.1
93.07024	2.8
95.04932	4.9
95.08591	1.4
103.05443	6.8
105.07000	9.9
107.04936	61.8
107.08566	1.7
109.10099	0.7
110.56052	0.6
111.04436	1.1
115.05414	3.1
116.06203	0.9
117.06990	3.8
119.08578	0.8
120.05704	1.5
121.06449	3.0
123.04414	2.8
124.05166	2.8
125.05980	1.2
126.72851	0.7
131.04929	1.4
133.06465	1.5
133.10086	0.8
133.39095	0.7
135.04378	6.3
135.08022	15.8
137.02313	3.6
137.05943	4.2
144.05629	1.2
145.06500	1.2
147.04329	1.0
149.05994	2.9
152.04660	1.5
153.01801	15.6
154.06258	1.3
161.02289	1.0
163.07503	24.0
167.06999	84.1
168.07829	0.8
171.02858	1.0
171.04277	1.1
180.07779	3.1
181.71429	0.7
193.08536	3.1
195.10126	14.6
199.03850	1.7
211.09540	1.3
213.11182	19.2
231.06471	4.1
241.04794	1.4
241.08539	1.4
287.05441	100.0
287.17560	1.0
288.05823	2.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1274
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
53.03929	1.0
53.04739	0.4
54.99502	0.5
55.01814	0.5
55.05496	0.8
65.03928	0.5
78.04646	0.6
79.05470	1.3
81.07034	3.0
85.07766	0.5
89.78725	0.5
91.05457	15.6
92.09347	1.1
93.07007	3.6
94.39344	0.4
95.04932	3.9
95.08580	2.2
97.06513	0.5
103.05422	0.6
105.07024	3.3
107.04939	30.1
107.08576	1.8
109.06518	0.8
119.08556	2.4
121.06482	40.5
123.04365	0.8
133.10100	0.6
135.07997	0.7
137.05930	1.0
139.07521	13.1
145.06432	0.8
145.10101	1.2
149.07039	2.0
151.07523	100.0
151.95006	0.5
153.01753	0.8
160.82013	0.5
163.07512	1.1
181.08607	2.6
192.10756	0.6
211.08525	0.6
214.12141	3.7
225.10065	0.6
226.10793	1.7
241.13351	1.0
245.15538	0.6
261.18970	0.6
269.12793	11.1
287.05441	8.6
287.13538	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1487
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03945	0.3
55.01870	0.4
55.88646	0.3
57.03426	2.9
72.90881	0.3
74.76456	0.3
78.04681	1.3
79.05041	0.6
79.05471	8.9
81.07050	0.6
85.21777	0.3
91.05447	3.6
92.09422	0.4
93.07017	0.4
95.04932	2.7
98.80219	0.3
103.05448	9.4
105.07018	7.3
106.04140	0.6
107.04935	69.6
109.06491	0.6
111.04404	0.4
115.05451	3.6
117.07010	0.7
119.04929	0.6
120.05679	2.6
121.06471	1.5
123.04375	4.5
124.05195	3.3
125.05958	0.7
131.04881	3.1
133.06487	2.5
135.04404	0.5
135.08029	16.5
137.05965	1.5
145.07593	1.7
147.04401	1.5
149.05975	1.5
150.06767	0.6
151.03867	0.8
151.07632	0.3
152.04655	2.6
154.06215	2.9
161.05959	0.7
163.07507	22.7
165.05432	1.7
165.09090	0.7
167.06998	100.0
180.07796	3.6
181.08549	0.7
193.08560	3.7
195.10130	17.0
211.09602	2.6
213.09132	0.6
213.11182	18.7
260.99744	0.3
287.05490	0.5
287.14734	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1273
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
51.91180	0.4
53.03930	0.8
54.81203	0.6
55.01883	0.5
55.05497	2.3
56.96551	1.1
57.03413	0.8
57.07056	1.0
61.67654	0.5
67.05478	3.7
68.99773	0.6
69.03418	0.6
69.07043	1.3
69.10143	0.5
71.04960	3.2
72.34818	0.5
78.04700	0.8
79.05466	4.5
81.07034	5.8
83.04961	2.3
85.02876	3.8
87.04416	0.6
91.05444	5.0
93.07014	4.7
93.75056	0.5
95.04914	4.3
95.08568	3.1
97.06478	0.7
98.97547	3.7
105.03364	0.6
105.07002	5.1
106.04201	0.7
107.04930	100.0
107.08567	3.1
109.06489	0.9
109.10116	2.4
116.98576	1.3
117.06969	1.0
119.08566	1.2
121.02818	1.1
121.06470	88.3
121.10142	0.8
123.04358	0.9
128.98558	0.9
131.08542	1.2
133.10110	2.6
134.99625	0.6
135.07983	3.9
135.11575	0.8
137.05966	4.7
139.07507	0.9
145.06474	4.5
145.10100	0.8
146.99664	0.7
149.05951	71.9
151.03786	0.6
151.07503	8.9
153.01817	4.2
159.11578	0.9
163.07494	6.6
165.01817	1.2
165.05458	0.8
170.99559	0.6
177.00745	0.6
203.02182	0.8
213.05511	0.6
237.02727	0.7
246.11307	0.6
255.11594	1.1
258.05084	0.9
269.11703	1.1
287.05435	22.1
287.08795	1.4
287.12549	2.8
287.19830	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1273
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
50.26942	0.4
50.82105	0.4
53.03920	0.7
54.72216	0.4
54.81241	0.5
62.35489	0.5
65.03922	0.7
75.86767	0.5
79.05472	1.1
91.05463	10.7
95.04967	4.1
95.08537	0.6
95.93849	0.5
103.05431	0.9
105.04486	0.9
105.10224	0.5
107.04934	53.9
107.08588	0.6
110.41819	0.6
118.78790	0.5
121.02857	0.7
121.06477	41.5
131.04938	0.6
139.07527	10.7
149.05989	1.0
149.07057	0.9
151.03922	5.3
151.07515	100.0
153.01750	1.9
165.05505	2.5
166.05792	2.7
167.05977	3.2
174.89989	0.5
176.30164	0.6
199.17773	0.6
219.11496	0.5
234.04933	0.5
281.45779	0.6
287.05417	9.3
287.11908	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	287.1276
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
53.00303	0.1
53.03931	1.3
54.36957	0.1
54.51198	0.2
55.01855	0.6
55.05514	0.2
57.07061	3.3
58.06591	0.6
58.07402	0.2
62.06075	1.8
63.13335	0.1
65.03928	0.7
67.05508	0.2
69.07044	0.3
71.08611	1.3
72.08936	0.1
76.57970	0.1
78.04692	0.6
79.05487	1.1
80.68446	0.1
81.07040	0.7
85.10137	0.2
91.04878	0.4
91.05456	10.8
92.63801	0.2
93.03423	0.2
93.07016	1.0
95.04942	3.2
95.08610	0.3
101.42369	0.2
103.05449	1.0
105.03383	0.2
105.04472	0.8
105.06999	0.4
106.04147	1.0
107.04933	52.2
107.08562	0.7
109.10127	0.2
119.04911	0.7
119.08598	0.3
121.06475	42.2
123.08012	0.4
125.48340	0.2
131.04866	0.4
136.05177	0.2
137.06026	0.2
139.07510	12.4
143.08586	0.2
145.09975	0.2
149.05940	2.1
149.07083	2.1
151.07513	100.0
152.07860	0.3
153.01778	0.7
156.09279	0.2
156.17432	0.4
162.06766	0.3
174.18483	1.4
181.08551	0.9
193.08563	1.1
212.23683	0.9
213.24017	0.2
230.24728	4.4
231.25105	2.1
269.11594	0.3
286.30966	12.1
287.05426	2.1
287.12305	0.7
287.19870	0.3
287.31287	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	287.1274
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
53.23339	0.2
55.01865	0.4
55.05498	0.3
65.03922	0.9
66.31132	0.2
67.05489	0.4
68.99802	0.2
69.04551	0.4
71.85229	0.2
73.15034	0.2
78.04697	0.4
79.05463	1.2
79.29441	0.2
81.03386	0.9
81.07043	0.5
89.03938	0.2
91.05461	11.1
92.08663	0.7
93.07001	1.7
95.04951	3.4
95.08601	0.4
103.05454	1.2
105.03374	0.3
105.04498	0.9
105.06980	1.6
106.01360	0.2
106.04153	1.1
107.04939	54.3
107.08571	0.9
109.06531	0.4
113.09609	0.3
117.03350	0.8
119.04898	0.4
119.08569	0.8
121.02831	1.2
121.06482	41.1
121.10142	0.4
123.08022	0.4
126.51336	0.2
131.04922	0.4
131.08557	0.3
136.05168	0.5
137.02315	7.2
137.05910	0.9
139.03893	0.4
139.07523	11.9
143.08545	0.3
145.02814	1.6
145.10103	1.0
149.05939	3.2
149.07089	2.2
151.07523	100.0
152.07938	0.2
153.01778	0.5
159.11668	0.4
162.06718	0.3
163.03807	1.0
177.05414	1.9
181.08588	0.3
193.08551	0.3
219.17404	0.9
241.04756	0.2
258.05743	0.2
269.07919	0.3
280.61374	0.2
287.05417	4.1
287.08978	2.6
287.19821	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1274
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
52.79873	0.4
55.70704	0.5
55.99968	0.5
57.07068	4.1
62.06067	1.1
71.08616	0.8
74.22808	0.5
79.05465	0.7
82.05415	0.5
85.10155	0.5
91.05455	10.8
93.07051	0.5
95.04924	3.3
103.05465	0.6
107.04935	52.7
107.59196	0.5
119.04942	0.5
121.06477	39.9
137.05972	0.6
139.07520	9.1
147.11688	0.6
149.05952	2.8
149.07086	2.3
151.07515	100.0
255.52660	0.5
286.30945	8.7
287.05472	0.7
287.31268	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	287.1274
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
50.87257	0.3
53.03924	0.9
55.01857	0.7
55.15084	0.4
65.15199	0.4
67.02950	0.4
78.04671	0.5
79.05468	1.0
91.05459	11.5
92.08744	0.7
93.07002	0.6
95.04945	3.8
103.05392	0.5
105.04461	0.6
107.04936	55.6
109.06423	0.5
119.04862	0.5
119.08547	0.4
121.02866	0.8
121.06477	41.3
123.04376	0.6
123.08031	0.5
131.04909	0.6
136.05270	0.5
137.05931	1.8
139.07521	12.5
149.05948	3.4
149.07100	2.1
151.07515	100.0
153.01822	0.6
159.02104	0.4
172.52654	0.5
181.08495	0.5
181.51819	0.4
182.42172	0.5
243.85786	0.4
287.05475	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	287.1275
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
50.97148	0.4
53.03940	0.7
55.05510	0.9
56.96560	0.6
57.03421	0.5
67.05486	3.7
69.07040	2.5
70.24014	0.5
78.04708	0.5
79.05472	4.5
81.07026	5.1
85.02882	0.7
85.27821	0.5
88.24462	0.5
89.78554	0.5
91.05460	5.5
92.54234	0.6
93.07015	3.3
95.04934	2.6
95.08582	3.2
103.05437	0.5
105.03368	0.7
105.07018	3.2
107.04938	100.0
107.08549	1.1
108.33460	0.5
109.06503	0.7
109.10143	2.1
117.07025	1.0
119.08580	2.6
119.57105	0.6
121.02866	4.8
121.06483	87.3
121.10028	0.8
131.04924	0.5
132.87674	0.6
133.06464	0.9
135.08026	2.8
137.05934	5.6
145.06436	6.4
145.10167	1.0
147.04355	0.7
147.08009	0.9
149.05959	83.3
151.03903	7.7
151.07559	1.3
153.01787	2.4
155.06102	0.7
163.07495	7.3
165.01801	0.9
177.65274	0.5
179.27400	0.5
183.08185	0.6
213.05374	0.7
251.19954	0.9
259.06094	0.8
269.11639	0.8
287.05441	21.1
287.12677	4.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.1273
Annotation	Tupichinol A
Peak:m/z	Relative Intensity
53.03942	1.4
55.01871	1.1
55.05512	1.5
60.55653	0.5
65.03930	1.1
67.05479	3.9
69.03408	1.2
69.07047	2.6
78.04639	0.6
79.05462	4.1
81.07043	5.9
83.04971	1.0
85.02868	1.1
91.05458	15.3
92.09317	0.6
93.07018	4.9
95.04926	4.6
95.08591	3.3
96.91846	0.6
97.02886	1.0
97.06512	0.7
98.97575	1.0
103.05455	1.2
105.07010	3.1
106.04152	0.6
107.04939	55.4
107.08593	2.5
109.02877	0.7
109.06534	0.9
109.10155	2.7
116.98576	1.2
117.06987	1.4
119.08529	1.4
121.02853	3.0
121.06480	42.7
121.10081	2.3
123.04379	1.0
123.08163	0.6
133.10106	1.3
137.02368	0.7
137.05966	3.8
139.07524	11.7
145.10136	1.1
147.11607	0.7
149.05965	2.3
149.07092	1.3
151.03920	3.9
151.07521	100.0
153.01807	4.1
161.05997	0.6
165.01843	1.2
171.04475	0.6
177.00729	0.7
183.02853	1.1
189.05405	3.0
213.05412	1.1
213.09048	2.3
241.08598	1.4
256.97400	0.6
258.05191	0.7
287.05457	29.1
287.10178	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	287.1236
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23304	0.3
55.05506	0.3
56.05014	0.7
57.03408	0.5
59.84951	0.2
60.04493	1.6
68.05000	1.4
69.03399	0.3
70.06581	2.5
83.04957	0.6
84.04468	1.4
84.08083	0.3
85.02866	0.5
86.02412	0.5
86.06052	3.5
88.03970	14.1
93.71533	0.3
98.06064	0.3
99.04467	0.3
100.07581	0.6
102.05476	0.3
112.07580	6.2
114.05501	8.6
128.07065	1.3
130.04977	14.8
130.08632	0.5
140.07057	6.2
142.04990	4.2
142.08609	4.9
158.04486	3.0
158.08095	1.7
168.06633	0.5
169.09685	2.0
186.07582	100.0
197.09171	1.5
202.67062	0.3
241.11702	0.5
269.11093	0.3
287.12323	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	287.0912
Annotation	Coeloginanthrin
Peak:m/z	Relative Intensity
53.03937	0.5
54.22673	0.4
55.01865	0.5
55.05492	1.0
58.41448	0.3
61.43838	0.3
62.63940	0.3
65.03935	0.5
67.05482	2.4
68.99774	0.7
69.07042	0.8
71.04957	1.0
72.46368	0.4
75.23232	0.4
77.36386	0.4
79.05476	4.2
81.07044	8.6
83.04967	0.7
85.06515	0.7
91.05463	9.1
92.09399	0.8
92.22992	0.4
93.07015	6.6
95.04955	4.0
95.08571	2.5
98.74628	0.4
103.05454	0.9
105.03374	0.5
105.04516	0.5
105.07011	7.1
106.04188	0.5
107.04943	20.2
107.08587	3.8
109.06501	3.6
109.10085	0.5
111.08076	0.7
115.05404	1.6
117.06976	1.9
119.08559	4.5
121.02846	0.6
121.06488	15.5
122.03620	0.7
123.04404	6.6
128.06194	2.2
129.06969	2.6
131.04897	2.4
131.08539	3.0
133.10112	3.0
135.04346	2.4
135.08026	1.0
135.11676	1.0
137.06055	0.4
139.07523	2.7
141.06947	1.4
142.07745	1.7
143.08531	2.1
144.05722	1.0
145.06442	2.2
145.10150	2.8
146.07188	0.6
147.04364	0.5
147.08026	1.6
147.11746	0.5
149.05959	3.1
149.07057	0.6
149.09538	0.6
151.07526	30.6
152.06146	0.4
153.06969	0.8
154.07718	0.6
155.04922	0.5
155.07050	0.5
155.08511	0.7
157.06438	1.9
157.10133	1.0
158.07254	4.0
159.08009	3.8
159.11679	2.4
160.05150	0.5
161.05934	1.0
161.09518	1.5
163.07454	1.6
163.11169	0.6
165.05481	7.3
165.06854	0.8
168.05649	1.7
169.06444	0.9
169.10081	1.5
170.07292	1.8
171.08017	2.1
171.11627	0.7
172.08824	2.2
173.05942	2.8
173.09554	0.7
174.06740	6.8
175.07489	3.7
175.11108	0.7
177.09065	0.4
177.12743	0.5
181.06364	0.6
181.08557	0.5
182.07254	0.6
183.04402	0.7
183.07967	0.5
184.05197	0.9
184.08765	0.5
185.05975	4.9
185.09557	0.7
185.13196	0.5
186.06779	1.0
187.03836	0.8
187.07487	2.2
187.11223	0.6
188.08327	5.3
189.05449	0.7
189.09085	6.7
195.04497	0.5
196.05135	0.6
197.05974	1.0
198.06744	2.6
199.03940	0.9
199.07489	2.7
200.08325	4.4
201.05446	9.1
201.09058	0.5
202.06239	4.0
203.07040	3.1
203.10599	3.7
205.12184	0.9
211.07439	0.6
212.08298	0.6
213.05479	5.2
213.08965	3.0
214.06187	3.2
215.03394	0.9
215.07057	2.4
216.07791	5.9
217.08562	24.0
226.06279	3.5
227.07001	4.5
228.07796	11.3
229.04930	8.4
230.05701	7.4
231.06615	4.5
231.10114	14.2
241.08452	3.5
242.09624	0.5
243.06450	2.2
243.10144	1.7
244.07280	13.6
245.08055	27.5
254.05646	1.0
255.06586	1.0
256.07196	0.6
257.04388	2.4
259.06860	0.9
259.09613	20.1
269.08115	2.8
271.06021	0.9
272.06747	9.6
287.09085	100.0
307.50058	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.091
Annotation	Coeloginanthrin
Peak:m/z	Relative Intensity
57.07066	9.3
58.06582	0.9
62.06063	5.7
64.33762	0.9
71.08604	4.8
79.05458	1.5
81.07015	0.9
83.04993	1.0
91.05473	7.3
95.04934	1.4
95.73878	1.0
105.06990	1.4
107.04945	24.6
107.08530	1.2
118.91192	0.8
119.08578	1.1
121.02865	1.0
121.06464	17.9
128.06200	1.0
139.07518	6.0
146.80977	0.9
151.07513	55.6
171.04367	1.1
171.08083	1.1
173.05913	0.9
174.18529	3.2
182.07272	1.1
185.05919	2.2
186.06705	1.7
187.07526	1.9
188.08339	1.8
189.06886	1.0
189.09145	0.9
196.05092	1.0
197.06017	1.1
198.06776	3.6
199.07552	1.9
200.08249	1.9
201.05408	16.8
212.23738	2.1
213.05464	4.0
213.08972	2.2
215.07034	5.8
216.07756	5.2
226.06267	1.5
227.06946	4.8
228.07755	9.6
229.04918	59.8
230.05540	3.6
230.24745	18.9
231.10135	6.5
231.25050	5.7
241.04916	1.5
241.08632	1.6
242.05647	4.5
243.06480	8.5
244.07253	87.6
245.08064	3.4
254.05634	1.8
257.04428	1.3
258.08804	3.6
259.09589	17.5
270.05081	7.5
271.05890	6.5
272.06726	42.1
286.30978	32.6
287.09061	100.0
287.31320	19.7
288.06137	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.3
60.71732	0.3
68.99784	3.5
69.03396	0.4
79.05450	0.6
81.07034	0.6
91.05472	0.6
91.58556	0.3
95.04934	0.3
95.08595	0.4
98.97551	0.5
103.05418	0.3
105.03344	1.5
107.04914	1.7
109.02847	1.3
111.00780	2.5
111.04422	0.6
119.08578	0.4
121.02844	9.8
133.02786	0.7
135.04350	0.3
137.02316	4.1
137.33591	0.3
145.06517	0.7
147.04398	2.0
153.01797	16.2
157.06454	2.4
161.05904	0.7
165.01797	5.0
171.04416	1.6
183.02852	1.8
185.05945	1.5
203.07036	0.4
213.05414	5.2
224.25296	0.4
231.06468	2.5
241.04816	2.3
258.05167	3.1
259.06021	0.7
287.05426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0543
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.4
54.48416	0.4
61.17764	0.4
66.26983	0.3
68.99782	3.4
71.05007	0.5
80.60130	0.4
83.04930	0.5
101.93015	0.4
105.03332	1.0
107.04920	2.3
107.22659	0.4
109.02839	0.8
111.00774	1.8
111.04426	0.8
121.02847	10.1
133.02820	0.9
137.02284	2.7
145.06490	0.7
147.04372	1.0
153.01811	15.6
157.06444	1.0
165.01836	5.5
171.04350	0.8
183.02864	2.1
185.06024	1.0
213.05406	5.3
231.06462	1.9
241.04955	2.7
258.05170	2.4
259.05936	1.0
287.05447	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
51.98496	0.5
61.22190	0.5
65.17995	0.4
68.99769	4.7
69.29469	0.4
71.26724	0.5
72.25146	0.5
79.05457	0.6
80.00139	0.5
95.04921	0.7
96.15704	0.5
96.95077	0.5
97.83765	0.5
103.05398	0.6
105.03349	1.0
107.04939	1.3
109.02885	0.7
111.00761	2.9
121.02846	10.6
129.06979	0.7
133.02750	0.9
137.02299	4.4
147.04384	1.2
153.01804	16.7
157.06488	2.3
165.01826	4.5
183.02856	2.4
185.05969	2.2
200.67613	0.6
213.05418	5.0
231.06502	1.2
241.04868	2.5
258.05142	3.2
259.05988	1.9
287.05429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0547
Annotation	Fisetin
Peak:m/z	Relative Intensity
52.54204	0.1
54.81871	0.2
55.01861	0.2
56.13522	0.1
57.43820	0.1
65.03915	0.3
67.01850	0.3
68.99431	0.2
68.99777	3.8
79.05461	1.1
81.03406	0.3
81.07057	0.3
89.58512	0.2
91.05437	0.4
92.09296	0.3
93.07045	0.2
95.04952	0.3
97.02876	0.2
105.03373	1.5
107.04922	2.3
109.02850	1.1
109.06459	0.2
111.00790	2.4
111.04408	0.8
117.07043	0.3
119.04905	0.3
121.02850	9.2
121.03805	0.4
121.06438	0.3
129.06993	0.8
133.02849	1.1
135.04411	0.7
137.02313	3.7
145.06474	1.1
147.04424	2.1
151.03867	0.2
153.01813	16.3
157.06483	2.2
161.05913	0.7
165.01813	5.1
171.03029	0.2
171.04248	1.3
183.02861	2.7
185.05997	2.0
197.05951	0.3
203.06961	0.4
213.05444	5.0
217.04982	0.3
222.18692	0.2
229.04880	0.8
231.06471	2.1
241.04932	1.9
245.20686	0.2
258.05157	2.9
259.05936	1.0
269.04211	0.2
286.04471	0.2
287.05450	100.0
298.99225	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0541
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03895	0.3
67.01814	0.3
68.99773	3.6
69.03417	0.3
73.56969	0.3
79.05458	0.6
81.07037	0.3
95.04927	0.5
98.39696	0.3
102.20718	0.3
105.03343	1.6
107.04913	1.6
107.08475	0.3
109.02827	1.3
111.00787	2.3
111.04376	0.6
117.06949	0.4
121.02834	10.0
122.61375	0.3
123.62840	0.3
125.02207	0.3
133.02815	1.2
135.04387	0.6
137.02319	3.2
145.06476	0.7
147.04395	2.0
153.00555	0.6
153.01801	17.5
157.06459	2.5
161.05888	0.6
165.01811	5.1
171.04346	1.3
171.26859	0.3
183.02823	2.4
183.04250	0.3
185.05927	1.9
195.08202	0.4
200.56606	0.3
203.07082	0.3
213.05429	4.7
217.05031	0.3
225.94250	0.3
231.06511	1.8
241.04855	2.2
258.05176	3.3
259.05966	1.5
269.04321	0.5
282.77692	0.3
287.05426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.31
Annotation	ES-285
Peak:m/z	Relative Intensity
53.00286	0.9
53.44169	0.4
54.07536	0.4
55.05503	0.8
57.07065	26.4
58.06575	3.2
62.06068	12.8
69.07037	1.0
71.08608	10.9
83.08578	0.6
85.10159	4.3
91.05454	2.7
92.63686	0.5
103.56325	0.5
107.04935	14.0
119.61588	0.5
121.06471	9.2
139.07498	2.6
146.61908	0.5
149.06029	0.5
151.07515	23.9
151.75082	0.5
159.13940	0.4
161.38330	0.5
165.36345	0.5
173.65469	0.5
222.78014	0.6
268.29886	8.1
286.30966	100.0
287.31448	0.6
295.49945	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0544
Annotation	Unknow
Peak:m/z	Relative Intensity
65.03865	0.5
66.82585	0.4
67.96567	0.5
68.99764	3.0
69.03393	0.6
72.44456	0.5
73.47474	0.4
79.05486	0.8
85.08654	0.5
87.83958	0.5
87.88890	0.5
91.05442	0.8
95.04928	0.6
103.11889	0.5
105.03313	0.7
105.70976	0.5
107.04932	2.4
109.02815	0.6
111.00778	3.3
115.67635	0.5
117.32999	0.5
118.58935	0.5
119.08579	0.6
121.02840	11.4
121.03694	0.7
121.04060	0.5
127.03912	0.6
133.02814	0.7
135.04474	0.7
135.43410	0.5
135.80794	0.6
137.02322	3.9
147.04362	2.0
153.01805	15.7
157.06445	2.1
161.05840	0.5
165.01816	4.9
183.02840	2.8
185.06030	2.0
213.05362	5.0
231.06496	1.9
241.04871	2.6
258.05167	4.1
287.05429	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	287.0545
Annotation	Fisetin
Peak:m/z	Relative Intensity
62.81438	0.2
65.03916	0.4
65.90042	0.2
67.01871	0.3
68.99770	3.6
79.05467	0.5
81.03407	0.4
104.15743	0.3
105.03369	1.5
107.04929	1.2
109.02855	0.6
111.00784	2.5
111.04464	0.4
112.06904	0.3
121.02837	10.1
127.03869	0.3
129.07010	0.4
133.02829	1.5
135.04329	0.4
137.02301	3.4
145.06502	0.7
147.04398	1.9
153.01802	16.8
157.06415	2.4
161.05902	0.5
165.01793	4.5
171.04483	0.9
175.07558	0.3
183.02876	3.1
185.05905	2.0
203.03349	0.3
203.07031	0.4
213.05418	5.3
229.04924	0.4
231.06416	1.9
241.04913	2.3
258.05179	3.4
259.05927	1.6
264.78110	0.3
269.04211	0.4
287.05426	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.3101
Annotation	ES-285
Peak:m/z	Relative Intensity
50.91183	0.4
54.81400	0.5
55.05489	1.0
57.07064	23.7
58.06586	4.0
58.11002	0.4
61.72021	0.4
62.06075	10.2
62.64056	0.4
71.08246	0.6
71.08611	9.4
78.85224	0.4
84.35105	0.4
85.10144	1.0
85.75963	0.5
91.05440	2.6
93.44788	0.4
95.04930	0.7
100.07603	0.8
100.58704	0.4
100.59372	0.4
104.45750	0.4
107.04934	12.5
121.06477	8.2
135.64706	0.4
139.07513	1.8
151.07518	21.2
156.17447	2.0
174.18515	5.7
212.23686	10.3
226.25131	0.6
230.24739	51.0
268.29825	0.8
286.11517	0.9
286.30972	100.0
287.05487	3.6
308.80978	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1284
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01547	0.3
53.03931	0.9
55.01860	0.5
56.96545	0.4
57.03428	2.0
59.05019	0.3
61.02911	4.5
63.69893	0.3
69.03409	7.9
69.07043	0.4
70.06577	17.0
71.04974	2.3
72.08123	0.5
73.02885	1.2
76.87166	0.3
77.39510	0.3
81.03389	3.4
81.07049	0.6
83.06102	0.4
84.08119	1.4
85.02887	18.1
87.04440	0.6
89.05981	0.4
91.03928	1.3
92.09311	0.3
95.06075	0.4
96.04448	1.7
97.02863	6.2
98.97539	0.5
99.04428	0.8
101.91884	0.3
106.06535	100.0
109.02850	2.0
109.08229	0.4
110.07140	7.6
112.07592	16.4
124.03940	7.7
124.07564	68.0
126.01041	11.2
127.03899	2.8
128.02611	4.5
130.08615	6.8
140.07016	5.1
144.10075	0.5
145.04956	0.8
157.05235	4.3
163.12262	2.1
190.13278	0.4
228.05441	0.4
254.15004	0.6
264.93582	0.4
286.12775	5.4
286.17593	3.4
296.91077	0.3
308.87515	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	286.1494
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29792	0.7
53.03930	2.1
55.01852	1.1
56.05442	0.8
56.96564	1.2
57.03425	22.6
59.04985	14.1
61.02914	5.9
69.03411	12.0
70.06577	8.3
71.04974	78.2
73.02898	4.5
75.04461	11.1
81.03395	5.3
83.04967	1.9
84.04498	1.6
85.02888	46.3
85.56214	0.8
85.83224	0.8
87.04462	1.3
88.03996	2.0
89.06011	100.0
91.03970	1.3
93.05495	24.5
95.01305	13.2
96.04461	1.0
97.02890	10.2
99.00822	1.0
99.04431	1.8
101.02347	1.1
103.03965	1.1
106.06522	0.9
107.07050	77.7
109.02887	1.8
109.70005	1.0
112.07572	8.5
113.02354	2.0
114.05521	4.1
116.07059	1.1
124.03922	14.6
124.07586	1.1
127.03893	3.7
130.04997	1.3
135.98384	1.0
140.07056	3.6
141.01797	26.5
145.04933	3.5
150.09184	1.0
150.10297	1.0
159.02902	1.7
161.02910	0.9
185.09230	9.1
186.07576	16.1
251.07597	2.0
273.14502	1.0
287.12354	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	286.0919
Annotation	N-(beta-D-glucosyl)nicotinate
Peak:m/z	Relative Intensity
52.33397	0.1
53.03927	0.2
53.51168	0.1
56.96545	0.3
57.03427	0.2
58.94197	0.1
60.53197	0.1
61.02924	0.3
69.03394	0.3
69.07052	4.6
69.07409	0.3
69.61642	0.1
70.06576	1.1
70.07384	1.8
71.04975	0.3
80.05000	3.0
84.08123	0.2
85.02879	1.6
87.08086	1.6
88.08408	0.7
89.06017	0.3
96.04463	1.6
97.02843	0.8
98.97550	0.3
105.09122	1.0
106.09449	0.3
107.07030	0.3
112.05042	1.0
116.98588	0.4
123.04386	0.7
124.03927	100.0
127.03836	0.2
150.96840	0.2
154.06049	0.2
158.99611	0.3
162.05473	0.2
171.05984	0.5
177.00708	0.3
204.10184	0.2
211.10739	0.6
252.01189	0.2
268.15366	0.2
269.11301	0.6
286.13162	0.2
287.10971	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.221
Annotation	Vitamin A2
Peak:m/z	Relative Intensity
52.61593	7.4
54.88589	7.5
55.05501	34.2
60.23821	7.3
67.05500	37.2
69.07056	56.1
72.73148	8.4
75.67954	7.1
79.05495	9.6
81.07031	51.5
91.05466	34.7
92.08831	46.8
93.07023	42.0
95.04965	11.6
95.08582	48.7
97.06578	11.4
102.73330	7.3
105.07007	100.0
107.08582	48.0
109.06507	32.9
109.10136	39.3
119.08557	98.8
121.10125	15.8
123.11739	12.8
128.98534	8.7
131.08501	10.9
133.10066	67.4
135.11650	8.4
143.08556	10.5
145.10158	35.1
147.11714	10.8
161.09627	50.2
173.13216	9.5
175.14784	21.4
209.15512	8.7
216.27930	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	285.1845
Annotation	Methyltrienolone
Peak:m/z	Relative Intensity
53.03929	1.2
55.01873	2.0
55.05507	14.9
57.03417	1.5
57.07051	7.8
59.04958	1.5
67.05483	15.6
69.03404	8.3
69.07055	13.1
69.82545	1.2
71.04962	1.3
79.05473	12.3
81.03390	1.5
81.07037	18.8
83.08590	5.0
85.02902	1.4
91.05441	22.8
92.08703	2.9
93.07030	20.0
95.04955	2.9
95.08581	29.2
95.66621	1.4
97.02875	7.7
97.06497	2.6
105.07008	35.3
107.08582	22.5
109.06503	2.7
109.10149	14.2
111.04433	2.3
111.08012	1.7
115.05412	2.6
117.06999	14.2
118.07756	6.6
119.08553	32.7
121.06503	3.1
121.10094	14.8
123.04400	2.7
123.08013	1.7
123.11720	2.4
128.06184	3.0
129.06992	8.9
130.07764	7.4
131.08534	44.2
131.09453	2.4
132.09314	6.0
133.10110	30.8
133.35855	1.2
135.08054	5.9
135.11650	5.7
137.05975	2.5
141.06956	7.3
142.07771	12.1
143.08528	28.7
144.09323	9.4
145.06451	1.3
145.10100	89.2
146.10896	3.1
147.08043	2.2
147.11646	13.8
149.09627	2.2
153.06963	2.3
154.07704	3.1
155.08513	21.3
156.09326	24.7
157.10098	30.2
158.07242	2.3
158.10896	12.0
159.08067	9.1
159.11647	39.0
160.12448	2.0
161.09596	7.1
161.13211	5.1
163.07451	2.3
167.08516	5.7
168.09320	8.9
169.10074	27.2
170.10880	13.6
171.07956	2.5
171.11639	61.0
171.40163	1.3
172.08856	2.3
172.12375	5.1
173.09642	14.6
173.13220	74.7
175.11154	5.2
175.14803	2.1
177.09109	1.9
179.08549	2.0
180.07973	2.6
180.09404	2.3
181.10068	12.0
182.10889	13.5
183.11652	33.8
184.12433	3.0
185.09592	7.4
185.13193	21.0
186.10425	2.6
186.14008	17.0
187.07463	2.0
187.11147	9.8
187.14778	37.9
188.15570	29.3
191.10612	2.8
193.10115	3.1
194.10870	1.4
195.08072	5.0
195.11661	11.5
196.08820	6.1
196.12424	10.8
197.09557	6.1
197.13223	32.1
198.10420	1.6
199.11127	21.6
199.14813	8.1
201.12753	9.5
203.10632	2.8
207.11635	6.0
209.09622	5.1
209.13217	14.8
210.10342	6.0
210.14014	5.7
211.11166	15.3
211.14734	14.9
213.12674	6.2
215.10631	7.3
215.14285	3.1
219.11644	2.6
221.13181	1.6
223.11205	2.2
223.14722	1.5
224.11938	5.5
224.15558	10.6
225.12741	18.3
225.16385	5.4
227.10576	2.2
227.14285	7.5
229.12193	7.7
234.13989	1.9
237.12727	5.3
239.14229	5.3
239.17906	30.9
241.19464	2.4
242.12904	6.3
243.13766	9.4
252.15147	2.5
257.15280	2.3
257.18924	10.1
267.17300	19.0
268.13306	1.8
285.18430	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1821
Annotation	Phomoenamide
Peak:m/z	Relative Intensity
51.63132	3.5
54.81384	4.9
57.07051	4.4
57.26736	3.7
64.65460	3.9
67.05501	4.0
71.08616	6.2
79.05482	11.5
85.10196	5.2
91.05450	7.8
93.07027	7.8
95.08582	6.6
105.07014	7.4
107.04922	100.0
114.36415	4.2
115.35308	6.0
121.02843	24.6
123.49361	4.7
131.04794	5.0
133.06474	9.9
137.05922	5.2
137.25050	4.6
151.07530	6.7
161.57953	4.1
285.18149	96.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1694
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02345	1.2
51.97498	1.3
53.03933	6.3
54.81722	1.7
55.01861	9.5
55.05503	40.1
56.96565	11.9
57.03428	81.2
57.07067	2.7
57.79148	1.2
59.05011	1.2
63.84443	1.1
65.03928	1.4
67.05489	49.7
69.03412	6.1
69.07053	17.6
71.04978	23.2
73.02889	1.3
73.06522	1.4
76.56319	1.6
79.05475	49.9
81.03397	98.0
81.07036	60.9
83.04966	36.0
83.08602	28.7
84.96006	2.0
85.02888	100.0
85.06511	2.3
91.05459	58.5
93.07022	34.7
95.04945	44.6
95.08585	24.5
97.02903	2.6
97.06519	6.7
98.97549	2.6
105.07014	44.3
107.04929	12.0
107.08572	11.6
109.05762	1.3
109.06510	7.9
109.10132	6.8
111.04428	8.7
111.08062	11.2
113.05992	8.0
115.05448	2.1
117.06976	2.3
119.08565	34.8
121.06489	3.4
121.10098	17.5
121.10713	1.1
123.04394	1.9
123.08057	2.6
123.11694	2.4
125.60052	1.4
128.98639	1.5
129.05482	2.0
129.06976	18.7
130.00978	2.4
131.08562	16.3
133.06403	5.5
133.10101	15.4
137.09584	2.7
142.07697	2.6
143.00247	1.5
147.08014	2.3
147.11684	17.6
149.09602	7.0
153.01794	14.9
157.10085	18.7
161.01184	2.7
163.01436	1.6
165.12741	3.0
167.01859	2.7
175.11192	18.8
176.64427	1.4
181.01620	1.7
184.00359	2.0
189.00941	1.4
193.12187	52.4
201.00528	1.7
203.02338	2.2
211.13281	30.1
227.02357	3.2
238.10980	3.0
239.11786	1.8
245.03424	1.5
256.12006	6.7
267.15723	7.7
272.38007	1.5
285.16879	69.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1597
Annotation	Unknow
Peak:m/z	Relative Intensity
51.72607	2.3
53.03933	2.9
54.21359	2.1
55.05503	6.9
56.75154	2.5
56.96561	4.3
57.03435	5.7
57.07062	16.6
64.72662	2.6
65.03950	5.1
65.76820	2.4
67.05498	16.4
67.39190	2.9
69.03414	3.8
69.07056	6.5
71.04963	4.5
71.08636	3.3
71.25256	2.5
71.46640	2.4
79.05471	22.5
81.03402	12.5
81.07040	47.9
85.02886	3.8
85.06605	2.9
91.05474	20.8
93.03386	5.2
93.07047	5.3
95.04948	4.9
95.08586	6.4
98.97578	3.1
103.05454	3.4
105.07024	17.6
107.04900	4.8
107.08589	4.1
109.10159	3.3
110.51685	2.7
119.01885	4.7
119.08550	12.1
121.02827	3.1
121.10136	12.3
123.11716	3.5
125.05994	5.6
129.06995	4.9
130.06493	26.2
131.01897	4.3
131.97447	3.5
133.10081	3.4
143.07309	5.2
144.08099	21.9
146.06058	5.1
147.11697	11.4
149.09535	3.4
153.05444	85.9
156.08028	5.6
157.10168	4.0
158.92085	2.9
163.03809	2.9
167.07269	19.3
168.08046	79.1
170.09645	3.8
173.02953	5.6
180.08063	100.0
181.08832	9.6
182.09650	10.9
191.03377	12.4
193.08879	19.1
193.12254	3.9
194.04227	11.8
194.05972	3.8
194.09644	27.0
203.36780	2.7
207.10403	3.7
208.11143	44.8
212.05247	13.5
212.14423	3.4
213.07835	6.8
217.05867	3.5
222.12787	30.3
268.13293	71.7
278.40518	2.8
285.16425	14.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1693
Annotation	Unknow
Peak:m/z	Relative Intensity
50.07083	2.7
50.48368	2.8
51.00057	2.6
53.03923	3.8
54.48804	3.1
55.01861	8.7
55.05265	3.6
55.05502	59.7
56.26429	2.6
56.96553	48.7
57.03168	4.5
57.03424	73.4
57.07055	12.5
59.04968	2.8
62.10920	3.3
67.05488	79.6
69.03409	21.2
69.07055	25.5
70.95804	3.1
71.04965	14.8
71.08619	3.4
79.05473	62.4
81.03395	94.4
81.07032	81.6
83.04964	44.3
83.08598	32.6
84.96014	4.9
85.02428	4.8
85.02890	100.0
85.06461	4.8
87.04434	3.7
91.05455	79.2
93.07009	55.7
95.04935	44.1
95.08577	57.1
97.02850	22.2
97.06508	6.2
98.97552	33.1
105.07008	70.6
107.04931	29.5
107.08549	29.7
109.06501	17.7
109.10139	17.6
111.04393	27.6
111.08052	16.9
113.06001	5.9
116.98592	21.9
117.06961	12.9
119.04907	6.3
119.08549	53.7
121.06470	19.3
121.10089	30.1
123.04421	4.4
123.08047	8.1
123.11681	4.2
128.98578	7.1
129.05458	7.5
129.06979	26.8
130.07744	4.6
131.08534	39.4
133.10098	33.1
134.99625	16.8
135.04379	5.3
135.07979	3.9
135.11679	4.8
137.05948	6.3
137.09615	5.3
142.07736	8.1
143.00108	5.3
143.08565	7.2
145.10085	42.9
146.99593	4.5
147.08047	4.9
147.11673	30.1
149.01204	4.7
149.05974	6.7
149.09608	5.4
153.01794	59.7
156.09302	5.8
157.10107	28.5
158.10811	3.9
159.11655	27.6
161.01166	19.5
161.09669	3.9
163.02635	4.3
163.03873	17.8
163.11140	28.5
171.11613	39.1
173.09602	5.9
173.13223	45.2
175.02768	8.4
175.11130	22.0
179.02199	5.4
183.11623	6.4
185.01151	5.4
185.13185	6.7
186.13968	13.1
187.14803	15.9
188.15538	16.1
189.00955	4.1
193.12173	45.4
197.09538	4.3
197.13213	4.4
201.12675	4.8
203.02316	14.2
211.02762	6.9
211.11365	4.7
211.13258	20.8
219.01773	6.2
225.12796	4.7
237.02876	7.7
239.17902	4.3
240.55547	4.5
243.13770	4.8
254.04349	22.9
257.18762	3.9
285.04230	3.9
285.16980	54.0
289.07126	17.7
303.04886	73.4
304.05298	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	285.1117
Annotation	Comptonin
Peak:m/z	Relative Intensity
53.03950	0.7
53.04144	0.1
54.81456	0.1
55.05489	0.1
55.77672	0.1
57.03416	0.2
57.07053	0.2
63.83998	0.1
65.03913	0.2
67.05469	0.2
69.07011	0.1
69.12321	0.1
70.80972	0.1
71.08634	0.1
77.03882	0.2
79.01825	0.2
79.05466	1.6
81.03381	0.4
81.07042	1.1
85.02876	0.5
85.88256	0.1
89.52061	0.1
91.05454	1.6
92.02577	0.6
93.06989	0.2
94.04137	0.5
95.04941	1.9
95.08583	0.2
99.34966	0.1
105.03370	0.6
105.04495	0.2
105.06999	0.4
107.01273	0.2
107.04948	1.0
109.06500	3.2
113.34411	0.1
119.04915	3.6
119.08518	0.4
120.05708	0.1
121.06499	0.2
121.10172	0.1
122.03620	5.7
123.04419	0.2
125.05968	1.7
131.04887	0.4
133.06407	0.1
135.04373	2.1
135.05499	0.5
135.08032	0.2
137.05968	1.5
147.04385	5.1
147.11655	0.2
149.43509	0.1
150.03082	0.8
150.40399	0.1
151.07584	0.1
152.67548	0.1
161.05806	0.1
163.07579	0.1
165.05435	100.0
166.05736	0.6
168.04123	2.8
191.07034	0.1
193.12181	0.1
210.06717	0.4
211.13370	0.1
225.09090	0.5
227.07013	0.2
253.08459	0.5
270.08856	0.6
280.87848	0.1
285.11148	18.5
285.16418	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Phenethyl caffeate
Peak:m/z	Relative Intensity
55.01877	0.4
62.33363	0.4
65.03932	5.3
71.47895	0.3
71.62010	0.3
79.05470	0.7
81.65040	0.4
92.29234	0.4
92.58981	0.3
95.05003	0.4
102.54627	0.3
103.05449	0.6
105.07010	0.9
107.04314	0.5
107.04939	12.9
109.06476	0.5
111.04418	7.0
117.49443	0.3
121.02844	100.0
121.03908	6.4
135.08017	1.5
136.78088	0.4
137.05948	7.0
147.04364	0.7
148.05142	5.9
149.05957	0.5
165.05473	1.3
176.04662	4.6
191.06990	8.3
232.47815	0.4
243.10110	12.4
285.11163	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	285.1118
Annotation	Comptonin
Peak:m/z	Relative Intensity
53.03926	0.7
54.81627	0.1
57.07057	0.2
65.03926	0.2
67.05476	0.2
76.32037	0.1
77.03883	0.1
78.13607	0.1
79.05484	1.4
81.03389	0.2
81.07017	0.6
85.02873	0.6
91.05459	2.0
92.02608	0.3
92.09357	0.2
94.04159	0.6
95.04939	2.3
105.03376	0.5
105.04472	0.2
105.07016	0.5
107.01284	0.2
107.04932	0.6
109.06506	3.5
110.97398	0.1
117.92948	0.2
119.04926	3.5
121.06432	0.2
122.03619	6.1
123.04360	0.2
125.05947	1.6
129.35379	0.1
131.04919	0.2
135.04375	2.2
135.05421	0.4
137.05936	1.2
147.04384	4.8
150.03078	0.8
165.05434	100.0
166.05772	0.8
168.04129	2.6
191.06989	0.2
210.06862	0.2
225.09024	0.2
253.08575	0.3
267.10092	0.2
270.08942	0.3
285.11145	18.5
286.11322	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Phenethyl caffeate
Peak:m/z	Relative Intensity
55.01855	1.0
55.88478	0.1
65.03924	4.9
66.69877	0.1
68.99794	0.2
71.01326	0.3
72.38573	0.2
79.05460	1.1
79.76754	0.2
81.07030	0.2
86.58982	0.1
91.05457	0.7
93.03383	0.3
95.04961	0.3
103.05438	1.1
105.07018	1.0
106.69475	0.2
107.04931	13.1
109.06487	0.3
111.04420	6.1
119.04907	0.3
120.05657	0.2
121.02837	100.0
121.03898	5.9
122.03150	0.2
125.94515	0.2
131.04875	0.7
133.02815	0.3
133.06494	0.3
133.09186	0.2
135.04425	0.3
135.08035	1.3
137.05943	7.0
139.07520	0.3
140.18027	0.2
145.06508	0.2
147.04372	1.7
148.05161	5.7
149.05991	0.4
151.07518	0.2
161.05934	0.3
163.07486	0.2
165.05432	1.7
165.06786	0.4
167.07005	0.3
176.04625	4.7
181.06345	0.2
183.07999	0.3
191.06989	8.7
210.06656	0.6
211.07433	0.7
225.09081	0.7
243.10098	11.9
253.08542	0.8
255.06540	0.2
285.11139	23.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.1118
Annotation	Glypallichalcone
Peak:m/z	Relative Intensity
50.31398	1.4
53.03927	1.7
55.01860	7.5
55.05509	2.2
55.93544	1.9
57.03411	2.8
57.07063	9.7
65.03938	3.0
67.05495	9.0
67.26270	1.6
69.03391	2.4
71.08607	3.3
79.05479	23.2
81.03408	3.0
81.07032	4.3
83.04937	3.7
87.20665	1.9
91.05461	54.4
93.07036	7.8
95.04944	11.7
95.08579	3.6
97.06491	2.2
103.05435	11.2
105.07014	90.3
107.04945	57.3
107.08575	3.0
109.06500	2.3
111.04433	25.5
113.06046	2.5
115.05428	3.3
117.06978	2.8
119.04916	47.0
119.08585	3.3
121.02837	9.8
121.06487	35.3
121.10159	2.4
124.05171	2.3
131.04933	11.0
131.08562	2.6
133.02754	1.9
133.06471	77.4
135.04427	4.5
135.08052	15.7
137.05975	38.6
138.06750	7.1
139.07559	3.1
141.06963	4.0
145.06503	20.3
147.04364	4.7
148.05173	3.4
149.04913	2.1
149.05949	17.5
151.07448	14.4
153.07016	4.7
154.07782	3.5
157.06523	6.7
159.08041	7.4
163.07495	8.6
164.08302	2.8
165.05791	2.2
165.06953	20.5
166.07753	4.0
166.66174	2.5
167.08528	2.6
171.07993	3.9
177.07124	2.3
178.07730	3.1
179.08551	7.9
181.06447	15.8
182.07257	20.6
183.07983	3.8
193.06328	2.6
194.07242	7.0
195.08029	2.8
195.11479	1.8
197.05997	2.5
197.09601	15.7
199.07498	15.8
207.07999	3.3
209.05919	4.0
210.06725	16.9
211.07515	21.0
213.09108	10.2
221.05878	2.7
224.08284	4.4
225.09082	26.6
226.09888	14.7
227.07027	12.4
241.08560	4.1
242.09338	28.7
253.08527	11.2
256.10886	7.7
257.11661	100.0
285.08087	2.7
285.11200	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	285.0754
Annotation	Mutabilein
Peak:m/z	Relative Intensity
53.03925	0.5
55.01853	1.2
55.05518	0.4
56.96562	0.4
57.03431	0.3
57.07054	0.5
64.22251	0.2
67.05475	0.4
69.07052	0.5
70.19353	0.2
71.08607	0.3
79.05477	2.6
81.03407	0.4
81.07040	1.2
91.05455	1.6
92.09457	0.3
93.03407	0.4
93.07016	1.6
95.04947	1.6
95.08597	1.1
103.05453	1.0
105.03404	0.3
105.04480	0.3
105.07007	2.8
105.07634	0.3
107.04935	100.0
109.06497	1.2
115.05447	1.1
117.06973	0.4
119.08578	0.6
121.02849	0.3
121.06470	2.4
123.08038	0.3
128.06165	1.9
129.06984	0.5
131.04953	0.4
131.08536	0.3
133.06465	7.4
133.07396	0.5
135.04399	2.4
135.07985	0.4
137.05931	5.1
139.05412	0.3
140.06195	0.6
141.06984	1.4
142.07756	0.2
143.04892	0.3
144.05638	0.6
145.06461	1.0
146.64450	0.3
147.07988	0.6
147.11679	1.3
151.07497	5.1
152.06157	0.5
153.06970	1.4
155.08556	0.3
156.05670	0.5
157.06467	0.6
158.07257	2.8
159.04395	0.5
159.08031	1.6
161.05956	11.4
163.03870	1.1
165.05453	3.7
165.06810	0.6
165.12791	0.3
168.05643	2.5
169.06477	1.8
170.07155	0.9
171.04384	2.6
171.07985	2.0
172.05119	0.4
179.07042	1.1
181.06369	0.4
182.07286	0.4
183.08070	1.9
184.05168	1.2
185.05959	3.6
186.06737	3.0
187.07507	1.1
193.12233	0.4
196.05174	1.7
197.06000	1.1
198.06735	1.7
199.03839	2.8
199.07462	1.9
200.04562	0.3
201.09001	2.0
209.05952	0.3
211.07463	2.2
212.04611	0.4
213.05374	3.0
214.06215	6.5
215.06989	3.2
224.04610	1.2
225.05492	1.9
225.08975	0.4
226.06213	0.6
227.03342	8.5
227.06989	1.1
228.07790	1.3
229.04932	0.4
229.08528	0.6
239.06941	1.9
239.10715	0.4
240.07758	1.7
241.04836	1.9
242.05719	7.2
243.06473	0.5
252.04112	0.3
253.04903	0.6
254.05656	0.3
255.06502	2.9
256.07266	3.3
257.08023	4.7
257.11694	0.9
267.06500	1.2
267.09915	0.4
268.07150	2.0
270.05203	1.0
285.07510	57.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.3309
Annotation	CETRIMONIUM
Peak:m/z	Relative Intensity
51.16916	0.6
53.00304	0.7
57.07063	12.5
58.06588	1.7
60.07861	1.4
60.08154	32.2
60.08456	1.5
62.34666	0.7
71.08601	5.4
73.89452	0.8
79.44766	0.8
81.04433	0.7
85.10159	1.5
87.99596	0.8
105.07048	1.0
214.05899	0.9
239.98668	0.8
269.79459	0.8
284.33044	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	285.0753
Annotation	Cicerfuran
Peak:m/z	Relative Intensity
53.03927	0.2
54.06956	0.3
55.01861	1.3
57.07055	0.5
70.84083	0.3
71.08607	0.4
77.22874	0.3
79.05447	1.2
80.57050	0.3
81.07056	0.3
91.05453	3.2
92.71684	0.3
93.07011	0.4
95.04942	0.6
103.05413	0.6
107.04953	2.5
109.06487	0.4
115.05424	3.2
119.04914	1.8
121.02850	0.5
121.06481	2.6
122.03609	0.6
123.04368	0.6
128.06204	2.8
129.07008	0.7
131.04878	0.5
133.06483	0.3
135.04413	2.1
137.05922	1.5
139.05380	0.3
139.07507	0.3
140.06163	1.3
141.06963	2.5
142.07785	0.4
143.04912	1.3
144.05698	2.1
145.06490	2.7
147.04382	7.1
151.07492	3.9
152.06163	1.3
153.06972	1.9
154.07780	0.5
155.04927	0.5
155.07048	0.4
155.08542	0.5
156.05696	1.4
157.06482	0.5
158.07233	5.8
159.08084	1.2
161.05931	1.2
163.07515	0.5
165.05440	8.4
165.06870	0.6
168.04291	0.6
168.05615	4.6
169.06450	3.9
170.07225	2.6
171.04352	3.9
171.08003	2.9
172.05132	0.5
173.09607	1.2
175.07518	2.4
180.05630	0.4
181.06467	1.3
183.04337	0.4
183.07988	2.5
184.05206	3.1
185.05914	5.9
186.06715	5.6
187.07460	2.7
196.05188	2.7
197.05936	3.1
198.06717	3.3
199.03903	5.6
199.07497	2.5
200.04668	0.7
201.05501	0.6
201.09056	3.1
209.05904	0.5
211.07553	3.9
212.04639	1.7
212.08263	0.6
213.05392	7.9
214.06201	11.1
215.06979	6.0
224.04655	1.5
225.05443	3.1
226.06248	1.5
227.03346	15.5
227.06784	3.6
228.07761	2.0
229.04973	0.6
229.08528	1.7
239.07033	2.9
239.10628	0.5
240.07710	2.8
241.04883	3.3
242.03218	0.5
242.05693	13.6
243.06430	1.8
252.04305	0.4
253.04904	2.3
254.09314	0.7
255.06453	4.9
256.07297	5.9
257.08038	9.7
257.11734	0.6
267.06494	1.5
268.07211	3.6
269.04297	0.4
270.05200	1.9
280.86493	0.4
285.07523	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	284.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
50.13612	3.6
52.29663	3.7
53.03923	8.0
54.81395	3.7
56.96560	4.9
57.03426	4.3
57.07071	51.4
61.02885	4.4
65.03902	5.6
67.05479	71.4
69.03414	44.5
69.07037	27.1
70.06571	6.9
71.08599	30.4
73.02892	6.0
81.03390	41.2
85.02881	30.7
85.10163	11.2
95.04945	100.0
95.08569	6.3
97.02866	61.7
98.97541	6.9
109.02893	37.6
112.07574	47.1
113.05984	10.1
114.36821	4.7
116.98586	8.9
124.07539	8.2
124.90018	4.9
127.03849	8.1
137.05925	6.0
138.07764	4.5
140.07039	95.3
144.46460	4.5
150.09077	9.4
178.08572	47.8
182.38713	4.1
205.67374	5.6
206.08083	83.6
218.08032	22.9
248.09145	7.2
284.11313	5.3
307.84329	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	284.17
Annotation	Unknow
Peak:m/z	Relative Intensity
52.87970	0.5
53.02736	0.6
53.03934	2.4
55.01867	1.4
57.03430	5.7
57.07061	1.0
61.02914	12.2
69.03062	1.2
69.03411	19.8
69.07052	26.8
71.04975	2.6
73.02898	5.5
75.43772	0.5
76.11025	0.5
81.03388	9.4
83.81755	0.5
85.02888	100.0
87.04456	2.2
87.08086	23.3
91.03936	3.7
97.02867	23.6
99.04423	4.2
101.02323	0.6
103.03926	0.9
109.02870	10.6
115.03860	0.8
120.39008	0.6
127.03890	17.4
139.63844	0.6
145.04941	23.3
163.05983	8.7
204.61092	0.6
231.12169	0.9
267.14410	3.2
284.08377	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2628
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
55.05508	43.6
56.96552	2.9
57.03418	2.6
57.07060	12.6
57.27928	1.5
60.58154	1.5
61.57468	1.4
67.05492	42.3
69.03397	2.1
69.07054	60.8
71.04974	10.4
71.08633	3.8
74.20776	1.6
79.05468	15.1
81.07037	100.0
83.08608	28.9
85.06525	3.4
91.05466	10.0
93.07017	23.7
94.65570	1.6
95.04950	3.3
95.08582	93.0
97.10162	13.3
98.97568	3.2
105.07030	3.3
107.08582	19.7
109.10142	49.6
111.08083	3.5
111.11706	9.4
113.09641	2.3
115.98225	1.7
116.98593	2.7
119.08572	1.9
121.10119	20.6
123.11662	23.7
125.09624	2.3
135.11665	13.9
137.13231	10.1
149.13271	8.1
151.14841	3.8
151.63474	1.9
163.14798	2.6
165.16313	4.2
173.13307	2.2
177.16327	2.3
183.08070	7.4
191.17886	3.0
222.36609	1.8
247.24150	8.5
283.26294	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	284.0914
Annotation	Evoxanthine
Peak:m/z	Relative Intensity
55.98189	0.2
57.07057	0.6
60.56917	0.2
70.85330	0.2
71.08614	0.4
81.07023	0.4
85.10188	0.3
89.78732	0.2
92.64140	0.3
105.06978	0.4
164.25719	0.2
167.07260	0.4
171.06841	0.4
184.07622	1.0
195.06758	1.0
196.07529	3.6
197.08325	0.5
198.05460	0.5
199.06175	0.4
210.09113	0.5
211.06082	0.5
211.07823	0.3
212.07040	7.5
213.07796	7.9
223.06218	3.3
224.07011	5.9
225.07841	0.6
226.04956	43.7
228.10161	0.3
238.08632	1.0
239.07155	0.7
239.09332	6.4
240.06511	16.6
241.07280	15.4
251.05826	2.0
252.06526	6.1
254.08043	11.0
255.08836	10.6
256.09564	1.6
266.08087	6.5
267.06204	0.5
267.08859	6.3
268.06024	0.6
269.06796	3.8
271.08173	0.3
282.07358	0.3
284.09122	100.0
285.09366	0.5
305.40967	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2629
Annotation	Octadecadiene-1,18-diol
Peak:m/z	Relative Intensity
51.02167	0.9
51.02409	0.8
54.29387	0.8
55.05501	40.1
57.03408	1.4
57.07061	11.2
59.04980	2.3
67.05147	1.6
67.05489	38.6
69.07051	59.4
69.53484	1.0
71.04971	9.6
71.08595	2.4
75.41115	1.0
76.55917	1.0
79.05471	12.7
81.07035	100.0
81.81512	1.0
83.04966	1.3
83.08598	31.4
85.06527	2.4
90.53098	1.0
91.05469	9.0
93.07013	23.7
95.04942	1.4
95.08581	77.3
97.06501	1.2
97.10130	16.5
99.08050	1.6
105.06995	7.2
107.04910	1.2
107.08577	16.9
109.10138	45.6
111.11655	5.3
113.09654	1.8
119.08542	2.6
121.10120	18.7
123.11671	24.8
131.08542	2.0
135.11684	11.3
137.13263	9.4
143.08466	1.4
145.10098	2.4
149.13239	6.5
151.14769	4.4
163.14810	4.2
165.16345	1.7
171.11679	1.4
173.13113	1.9
177.16374	2.6
191.17944	2.4
243.36531	1.1
247.24113	5.3
265.25281	4.1
283.09506	1.2
283.26379	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.2417
Annotation	Aikupikanyne B
Peak:m/z	Relative Intensity
55.05506	6.7
67.05507	8.1
69.07058	7.4
79.05454	8.4
81.07043	38.4
83.08650	1.5
91.05460	13.9
92.92207	1.3
93.07032	19.1
95.08585	20.5
105.07021	28.5
107.08578	12.7
109.10143	7.3
109.82050	1.1
117.06992	9.8
119.08559	100.0
121.10130	23.9
123.11700	4.7
127.11163	1.4
129.06981	1.6
131.08583	8.3
133.10138	6.8
135.11682	5.7
138.99066	1.3
143.08594	2.6
145.10104	8.8
147.11694	7.0
149.13228	5.7
157.10147	5.5
158.10880	1.1
159.11665	13.7
161.13237	6.5
163.14774	1.9
171.11662	7.2
173.13235	7.5
175.14809	5.0
185.13287	1.7
187.14809	5.6
199.14778	1.8
201.16357	2.3
213.16461	2.8
215.17917	1.7
225.16151	1.2
227.17972	9.4
250.48470	1.2
271.95844	1.2
283.24136	44.0
283.31006	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	283.2053
Annotation	11-cis-Dehydroretinal
Peak:m/z	Relative Intensity
55.05499	36.0
56.96552	6.8
67.05490	48.9
69.03410	8.4
69.07052	33.7
70.37569	5.9
71.04981	25.1
79.05473	39.7
81.07038	70.6
83.08614	7.7
91.05469	65.9
93.07039	45.8
95.04950	12.1
95.08578	47.4
96.91019	5.5
98.97562	7.7
102.46545	5.7
105.07018	100.0
107.04885	7.7
107.08574	57.5
109.06492	12.1
109.10129	30.4
116.98626	6.9
117.07009	25.4
119.08566	64.7
121.06454	9.3
121.10130	79.5
128.06235	14.7
131.08542	52.7
133.10132	51.4
134.99619	6.8
135.08000	10.7
135.11659	12.4
142.07791	10.8
143.08546	48.9
144.09329	9.4
145.01671	7.0
145.10095	66.7
147.11659	13.3
148.21709	5.9
157.10118	30.8
158.10893	14.4
159.11661	13.8
161.09572	27.8
169.10078	10.3
171.11642	15.1
173.13301	47.6
179.08582	9.5
185.13264	8.3
187.14777	6.8
209.13228	14.5
213.16452	10.6
227.14311	10.0
265.19366	22.0
280.20203	6.4
283.20560	63.0
286.71738	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	283.1536
Annotation	Qing Hau Sau
Peak:m/z	Relative Intensity
50.10151	3.5
53.73896	3.7
54.00486	3.8
55.01869	46.0
55.05505	100.0
57.03425	73.9
59.04993	7.0
64.33033	4.9
67.05486	35.9
69.07054	8.2
71.04990	17.8
75.13637	5.5
77.60622	5.8
79.05484	73.8
81.03402	21.2
81.07037	63.6
83.01328	43.0
83.04958	39.9
83.08607	42.5
84.05983	4.7
85.02853	9.7
90.13328	5.6
91.05476	39.6
93.07021	76.4
95.04926	24.5
95.08575	24.6
95.74911	4.6
97.02950	5.6
97.06501	19.4
105.07014	32.4
107.04935	23.2
107.08566	33.0
109.06499	22.1
117.06988	24.2
119.08533	10.7
121.10117	8.5
123.08025	10.4
128.06232	4.9
131.08643	5.3
135.07974	6.1
135.11678	29.1
145.10123	35.6
163.11171	44.8
209.11722	11.5
227.12779	6.4
228.76886	5.0
232.67047	4.8
267.51395	6.1
283.15320	91.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	1.2
55.01849	3.6
55.05484	1.0
57.03425	11.5
57.07058	0.9
59.04967	0.9
61.02911	14.8
67.05483	2.9
69.03413	21.7
71.04961	2.8
73.02888	5.4
74.92894	0.7
76.40130	0.6
81.03390	8.6
81.07005	0.8
85.02886	100.0
85.06527	34.4
87.04436	3.2
89.02499	0.7
91.03929	7.0
97.02869	20.7
99.04399	5.1
103.07554	13.3
104.07886	0.6
109.02840	8.9
115.03938	0.8
121.06478	0.7
127.03889	19.0
129.05371	0.7
145.04941	30.2
145.06085	1.3
163.05974	8.6
181.06978	0.6
229.10689	6.2
273.31219	0.7
294.91690	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	283.0963
Annotation	7,4'-Dimethoxyflavone
Peak:m/z	Relative Intensity
54.06723	0.6
55.05501	2.4
56.10827	0.6
57.03428	0.9
58.68353	0.6
63.58643	0.6
65.03926	3.4
67.05480	2.6
69.07053	3.4
79.05472	1.5
81.07032	5.1
83.08602	1.3
91.05443	2.9
93.07009	3.0
95.04891	0.8
95.08582	4.2
98.46844	0.7
105.06985	1.0
105.52867	0.7
105.57307	0.6
107.04206	1.3
107.04941	40.9
107.08569	0.9
109.10120	2.3
109.78410	0.7
111.04385	5.5
116.98531	0.6
119.08541	0.9
121.02845	100.0
121.03881	4.0
123.11654	0.7
131.04883	1.1
133.06493	1.4
135.04372	7.0
135.11646	0.7
136.24677	0.6
145.10124	1.0
149.13187	0.6
161.05971	3.7
163.11293	0.7
175.03841	0.9
181.30072	0.6
189.05553	0.6
211.07492	0.9
225.05392	8.1
237.08998	1.1
239.07114	0.8
241.38997	0.6
268.07224	9.2
281.13348	0.7
283.09564	20.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.0132
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81511	0.8
56.96314	0.8
56.96552	14.2
71.95253	1.2
86.80864	0.7
98.97554	98.8
105.78400	0.8
116.98593	100.0
119.01918	0.7
134.99626	72.1
135.32661	0.7
140.00139	0.8
153.00674	21.0
158.01271	1.3
159.76581	0.7
163.29483	0.7
219.01924	1.6
230.17667	0.8
240.98672	2.8
258.99683	22.2
275.35953	0.7
277.00729	68.1
295.01831	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	282.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.6
55.01856	2.9
57.03429	6.5
57.07065	1.2
57.61039	0.5
61.02915	12.1
65.68513	0.7
67.05499	12.8
69.03068	0.9
69.03419	15.8
71.04987	2.8
73.02898	6.0
81.03411	9.6
85.02891	100.0
85.06527	27.2
87.04458	2.4
91.03938	5.0
93.07079	0.7
97.02864	20.2
99.04435	3.9
100.22389	0.7
102.38290	0.6
103.07571	3.7
103.56976	0.7
109.02869	9.2
111.35522	0.6
127.03889	16.5
140.44530	0.5
145.04936	28.0
152.69461	0.7
153.07199	0.7
158.87944	0.9
163.06015	7.3
175.98076	0.6
229.10646	5.0
284.16000	0.8
294.47885	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.247
Annotation	Stearolic acid
Peak:m/z	Relative Intensity
53.03936	1.0
55.05504	31.7
57.03411	1.3
57.07067	9.9
67.05148	1.6
67.05493	36.1
69.03427	2.6
69.07051	43.9
70.75384	1.1
71.04966	6.1
71.08602	1.9
75.04430	1.3
75.66331	1.0
79.05470	16.2
81.07038	91.8
83.08605	12.3
85.06521	5.6
91.05461	7.8
93.07018	29.2
95.04993	1.2
95.08581	100.0
97.06499	3.0
97.10127	15.9
99.08049	1.4
105.07017	14.2
107.08575	34.2
109.06478	1.3
109.10136	41.4
111.11707	1.5
119.08570	13.4
121.10114	20.8
123.11694	24.9
125.09552	2.2
133.10100	9.4
135.11655	20.0
137.13235	22.9
139.11215	2.3
147.11732	2.0
149.13217	14.0
151.14726	2.0
153.12776	1.2
161.13268	4.7
163.14789	9.5
165.14134	1.1
175.14738	3.1
177.16338	3.0
189.16362	7.1
191.17821	1.6
205.19566	1.6
217.12424	1.1
245.22559	13.1
263.23666	7.5
280.21121	1.3
281.24686	12.9
294.29938	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1743
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
50.37735	3.0
51.15224	3.2
54.81673	3.6
55.01864	5.7
55.05501	49.0
57.03436	35.8
63.62209	3.7
64.49076	3.7
66.28209	3.6
67.05494	95.3
69.03427	3.9
69.07035	15.5
79.05473	100.0
81.03390	19.3
81.07044	67.0
81.89168	4.0
83.04961	40.3
83.08562	4.6
85.06506	6.0
91.05460	62.8
93.07024	61.1
95.04948	43.1
95.08585	46.2
97.06506	3.9
97.10137	8.2
98.97563	9.3
105.06998	59.1
107.04940	5.5
107.08574	23.6
109.06461	7.8
109.10130	9.0
115.55140	3.4
117.06991	7.5
119.08521	32.6
124.82351	3.8
129.06956	21.7
129.76118	4.0
131.08595	4.3
133.10092	16.6
143.08473	5.1
145.10117	6.9
147.11694	22.5
149.02383	5.6
150.02678	3.8
151.18190	3.7
161.13231	5.4
164.77199	3.9
171.11690	17.1
181.10193	4.1
281.17386	52.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1744
Annotation	Furodysinin hydroperoxide
Peak:m/z	Relative Intensity
53.00303	3.0
53.03933	10.2
54.81627	2.8
55.01866	5.5
55.05506	49.8
57.03434	33.2
57.07060	2.6
61.80235	2.4
65.03925	2.5
67.05493	97.8
69.03420	4.9
69.07051	17.5
69.63708	2.6
71.04980	6.6
79.05472	100.0
81.03396	20.4
81.07036	75.1
83.04958	39.9
83.06976	3.2
83.08607	11.8
85.06564	2.7
90.87005	2.5
91.05458	76.7
91.73647	2.5
93.07025	60.0
95.04932	37.8
95.08578	38.5
97.06506	6.8
97.10146	2.9
98.97558	4.5
105.07007	61.3
107.04913	4.1
107.08578	31.2
109.06497	10.8
109.10134	15.4
116.98624	3.7
117.07009	14.1
119.08540	32.8
121.06462	3.1
121.10094	6.3
123.08051	6.4
129.06985	15.3
131.08543	3.7
133.10118	10.7
135.08023	3.6
143.08524	5.5
145.10117	4.6
147.11671	21.6
150.02609	4.6
151.02789	4.2
159.08051	4.1
159.18465	2.9
161.13205	6.7
171.11685	16.2
207.13734	13.1
234.07503	2.9
246.95844	2.7
252.64243	3.0
281.17523	44.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1591
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03949	1.3
54.81671	1.5
57.03414	2.2
57.07069	100.0
61.02917	2.8
63.04479	39.9
63.92381	1.2
64.14292	1.4
69.03422	12.7
74.78086	1.3
75.71930	1.5
81.03380	1.8
85.02426	2.0
85.02893	37.3
91.03949	1.3
91.05469	2.0
97.02861	7.2
109.02865	3.1
110.43167	1.2
119.10664	37.9
127.03904	3.3
136.48642	1.5
145.04916	1.9
172.64293	1.4
292.78003	1.5
304.67331	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	280.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	1.4
55.01859	4.5
55.05510	12.1
56.96541	1.0
57.03165	1.2
57.03426	13.0
57.07072	1.3
59.04987	1.1
61.02926	8.3
67.05472	1.2
69.03419	21.3
70.06591	1.5
71.04977	5.1
73.02898	4.7
73.06539	4.4
79.05466	1.5
81.03405	8.3
81.62184	1.0
83.04964	20.8
85.02892	64.3
85.06532	20.2
87.04443	4.2
89.15545	0.9
91.03919	1.7
91.05460	1.1
95.01319	1.9
95.04933	4.3
97.02872	100.0
97.06494	2.0
99.04427	8.8
101.05998	84.5
103.03890	1.2
103.05446	1.3
109.02869	4.9
112.01218	0.9
113.05926	1.1
120.08073	14.1
120.61151	0.9
121.02841	1.1
121.06486	1.0
125.05966	2.2
127.03911	18.4
136.06184	2.0
137.05894	1.1
145.04965	12.8
149.02315	27.7
150.02660	18.5
162.04060	1.1
167.07112	1.4
197.08066	42.8
227.09151	10.1
234.11084	1.4
245.10162	32.2
263.11209	18.4
280.16800	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	281.1493
Annotation	7beta-Hydroxycatuabine I
Peak:m/z	Relative Intensity
53.03930	0.7
55.05489	0.4
57.03428	3.1
59.04990	0.5
60.05429	0.3
61.02908	2.2
65.82402	0.3
66.37442	0.3
69.03412	5.7
71.01317	0.7
71.04977	1.4
73.02876	1.2
75.04462	0.5
77.14835	0.3
81.03397	0.4
83.08595	0.3
85.02879	1.4
92.08772	0.5
99.04415	1.8
120.08058	0.7
132.06828	0.6
147.09151	100.0
148.09534	0.3
155.20421	0.3
157.06604	0.4
159.09090	0.5
160.09853	0.4
230.36574	0.4
261.29663	0.3
279.34109	0.4
281.14905	71.3
282.15460	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	[R-(E,E)]-13-Hydroxy-6,10,14-trimethyl-5,9,14-pentadecatrien-2-one
Peak:m/z	Relative Intensity
51.07218	0.7
52.85670	0.8
55.05503	7.4
56.96553	1.0
57.07068	8.9
59.04988	1.1
65.88371	0.8
67.05484	9.4
68.49004	0.8
69.03400	0.9
69.07048	10.3
71.04980	10.1
77.27670	0.9
79.05474	10.9
81.07039	37.8
83.04956	1.7
83.08595	4.1
83.59326	0.8
85.06531	1.7
91.05457	8.4
93.07024	40.2
95.04963	1.2
95.08578	23.7
97.06494	1.8
97.10234	1.1
104.99239	2.1
105.07007	16.7
107.08571	23.0
109.06533	1.3
109.10129	15.7
113.09655	1.3
119.08549	19.6
121.02821	5.1
121.03914	1.2
121.10120	30.7
123.08028	0.9
123.11676	5.3
125.09608	1.0
127.11165	1.3
131.08539	4.7
133.10107	12.3
134.99728	1.0
135.11662	19.3
139.11200	3.8
144.04224	0.9
145.10083	6.3
147.11678	6.8
149.02316	100.0
153.12701	6.0
156.74471	0.9
159.11644	5.6
161.13214	5.9
163.14758	1.3
167.03360	1.6
173.13232	4.1
175.14795	18.0
179.14240	1.4
187.14769	4.8
192.91090	0.9
193.15889	1.7
201.16380	2.1
203.17902	3.9
210.92177	3.7
219.05602	5.2
239.08815	3.7
243.21060	8.0
261.22208	1.7
261.62659	0.9
279.09232	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2315
Annotation	Gorlic acid
Peak:m/z	Relative Intensity
53.03936	0.9
55.05502	7.2
57.07061	4.0
65.03927	3.2
65.79150	0.4
67.05489	100.0
69.07050	8.3
71.04967	0.9
79.05474	11.9
81.07037	86.7
83.04980	0.8
83.08606	3.5
85.06559	0.6
91.05467	4.5
92.09338	1.1
93.07025	12.6
95.04955	1.0
95.08585	63.8
97.06499	0.7
97.10178	0.9
104.99253	1.1
105.07030	2.6
107.08578	7.0
109.06521	0.7
109.09483	0.6
109.10138	16.2
109.97391	0.5
117.07016	2.1
119.08559	2.4
121.02808	3.5
121.10103	5.1
123.08077	1.0
123.11687	7.5
131.08566	3.5
133.10136	2.4
135.07986	0.8
135.11638	2.7
137.13272	4.8
145.10115	3.1
147.11639	1.8
149.02313	46.7
149.09538	0.7
149.13271	2.6
151.14796	1.0
159.11690	2.1
161.13243	0.6
163.11192	0.7
165.16493	0.5
167.03403	0.6
173.13165	4.1
177.12831	0.9
181.12234	0.6
187.14763	0.6
191.14282	0.7
195.13811	0.6
201.89288	0.5
209.15352	0.9
210.92302	0.6
219.05736	0.7
223.17020	0.7
239.09062	0.6
243.21111	0.8
261.22211	2.0
279.09177	0.8
279.23114	13.4
285.19141	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.2316
Annotation	alpha-Linolenic Acid
Peak:m/z	Relative Intensity
52.86420	1.3
55.05484	3.6
57.07049	7.5
67.05144	2.3
67.05488	65.0
69.07049	3.7
69.20588	1.7
76.34168	1.5
76.35277	1.4
79.05465	7.4
81.07035	60.7
83.08618	2.4
93.07013	8.6
95.08579	46.8
104.99242	11.4
107.08568	3.4
109.10139	22.0
115.87327	1.8
121.02819	8.3
121.10078	2.4
123.11674	13.7
137.13156	3.1
141.95853	1.5
149.02318	100.0
219.05653	8.9
239.08963	2.3
279.09186	4.1
279.23120	19.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0471
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	0.6
55.01861	1.5
55.05492	1.4
56.96540	0.4
57.03423	4.2
57.07038	0.4
61.02915	6.2
65.03943	0.2
69.03411	12.2
70.06580	0.3
71.04965	6.4
73.02883	3.5
81.03399	5.5
83.01320	0.4
83.04951	0.5
84.04485	0.3
84.08124	0.3
85.02883	55.8
87.04442	0.7
91.03889	1.0
92.08587	0.6
97.02863	17.9
98.06015	0.4
98.98437	100.0
99.04424	6.4
101.02366	0.7
103.03903	0.5
109.02850	5.5
112.34805	0.3
115.03872	0.5
116.07034	2.3
116.99455	3.2
117.05453	4.6
117.07417	0.3
119.01768	0.3
121.02848	0.6
125.15871	0.3
127.02424	0.3
127.03890	10.1
145.04927	9.6
149.02307	13.7
154.94177	0.5
163.05984	3.7
172.95164	0.6
173.02904	0.3
197.06081	0.4
225.01561	1.6
261.03568	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.1072
Annotation	1-Tuliposide A
Peak:m/z	Relative Intensity
52.71652	0.5
53.03938	1.2
55.01857	3.3
55.05505	23.3
56.96535	0.9
57.03423	1.4
57.07077	1.4
61.02906	1.2
65.57790	0.6
69.03416	4.5
70.06572	1.1
71.04977	77.4
73.17704	0.6
81.03406	2.5
84.29784	0.5
85.02889	12.0
87.04457	1.4
90.45818	0.6
97.02882	3.9
98.97562	1.0
99.04432	55.9
99.93489	0.5
115.16612	0.7
115.23263	0.7
116.07087	2.9
117.00049	0.8
117.05469	100.0
121.02837	1.1
127.03941	0.7
137.01160	0.6
149.02315	37.4
174.04411	0.7
218.15253	0.7
279.09811	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0472
Annotation	Unknow
Peak:m/z	Relative Intensity
54.25183	0.3
54.82209	0.4
56.96542	0.7
57.03428	0.8
57.07064	5.3
58.86986	0.4
60.34303	0.4
61.02943	0.4
65.03926	0.6
69.03416	0.6
69.07049	0.5
71.04956	0.4
77.29331	0.4
79.05484	0.6
81.03401	0.7
81.07042	6.7
84.08105	0.5
85.02886	1.8
88.03882	0.4
90.45261	0.4
91.05424	0.4
92.08678	0.6
97.02857	0.4
98.97578	1.9
99.08050	3.4
115.78741	0.4
116.98594	1.0
117.06981	0.5
117.09090	2.5
119.04882	3.2
121.02847	7.2
123.04399	0.6
131.04886	0.8
133.06458	1.1
134.05916	1.0
134.99667	0.5
141.07002	0.5
145.06421	3.5
147.04404	3.9
149.02318	100.0
152.07040	0.6
155.05954	0.5
157.06473	0.7
160.52534	0.5
161.06023	1.0
167.03378	1.8
173.05951	2.1
188.06973	0.6
189.05467	0.9
190.96370	0.5
197.05945	1.8
199.07599	0.5
205.08603	0.7
205.13277	1.7
215.06941	1.0
219.06378	0.7
233.07993	1.0
233.12802	2.5
279.01590	0.5
279.04709	15.5
279.13132	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	279.0387
Annotation	Unknow
Peak:m/z	Relative Intensity
51.78957	0.7
56.96558	13.0
57.03416	1.4
69.03410	3.9
71.04965	2.0
73.02895	0.8
74.97588	1.3
75.86639	0.7
80.20440	0.8
81.03400	7.3
84.04482	0.8
84.08128	5.9
85.02903	3.9
90.68045	0.7
98.97559	100.0
99.04440	0.8
100.07550	0.8
101.00854	5.8
103.00602	7.9
108.55536	0.7
109.02855	5.4
110.97543	12.7
112.99105	1.6
116.98596	59.4
117.02141	1.3
119.01882	20.1
120.00857	1.2
120.01981	3.8
121.01646	24.7
124.99123	0.9
127.03913	1.3
128.07178	0.9
128.98576	15.0
130.28725	0.8
131.00134	1.4
131.01892	1.9
132.98120	1.5
133.01637	1.8
133.03465	1.2
134.99638	24.4
135.03197	4.5
136.93100	4.9
137.02957	5.0
139.02667	9.7
143.00122	3.6
143.01863	6.3
145.01625	3.5
145.03421	1.9
146.03548	1.0
146.99606	9.8
147.03188	4.6
149.01219	2.9
150.99132	4.1
153.00677	4.2
154.94196	8.5
157.03462	1.8
158.99608	17.9
159.03156	12.9
159.48872	0.8
161.01234	2.9
161.02930	18.6
162.03011	0.8
163.02614	13.1
165.00574	1.1
165.04222	1.1
169.00143	1.3
169.01584	1.1
170.99594	3.5
172.95187	13.9
173.01399	0.8
173.02843	1.2
174.99132	1.0
175.04456	1.6
176.04707	1.4
176.99077	1.1
177.00684	32.6
177.02327	1.5
177.02682	1.1
177.04190	12.5
178.00969	1.6
179.03915	1.2
187.02722	3.6
189.00728	9.3
189.04301	1.9
190.96257	6.5
191.02267	1.7
191.04050	1.3
191.05824	1.0
193.00179	5.3
193.01790	0.9
195.01741	6.7
201.04187	0.8
205.03838	3.7
207.01762	4.2
214.96254	1.3
219.01805	5.2
219.05405	1.2
237.02837	9.6
255.03845	5.1
278.07767	1.3
279.04639	25.2
279.07623	9.1
295.08630	1.2
296.08832	3.9
297.05103	1.7
297.08493	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	278.1232
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03944	3.1
54.81628	0.3
58.41697	0.2
59.65408	0.2
61.02914	0.4
61.13505	0.3
61.76408	0.2
67.31609	0.2
68.88124	0.2
69.03419	0.6
75.66572	0.2
75.83641	0.2
78.13182	0.2
81.03402	100.0
82.04861	0.2
85.02890	4.2
97.02865	1.1
99.04429	0.3
104.34093	0.3
155.54195	0.3
167.77925	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03954	3.5
53.50761	2.4
55.01863	3.5
55.05505	21.2
57.07061	28.3
58.93612	2.2
59.88437	2.6
67.05495	31.2
69.03410	38.3
69.07059	18.4
71.04983	17.9
73.34193	2.5
79.05477	36.5
81.03407	2.8
81.07040	82.1
83.04960	4.6
83.08576	6.6
85.06543	5.4
91.05447	23.3
92.08764	4.0
93.07023	100.0
95.04966	11.8
95.08573	58.3
95.29903	2.6
97.06487	23.9
105.07021	54.2
105.48670	3.0
107.08581	67.9
109.06527	28.5
109.10147	28.7
111.08041	11.4
113.09655	3.6
114.75792	2.7
117.06987	4.9
119.08546	49.3
121.10123	49.4
123.08058	13.0
123.11682	12.4
125.09624	5.8
131.08568	18.8
133.10139	29.7
135.11667	25.5
137.09639	3.7
139.11115	3.3
142.07744	3.7
143.08569	11.0
145.10095	24.7
147.11700	14.1
149.13239	6.1
151.11185	14.9
157.10088	10.9
159.11665	25.7
161.06139	3.0
161.13258	5.5
163.14780	4.6
171.11685	4.8
173.13191	18.9
175.14767	36.3
175.39078	2.7
179.10573	4.4
185.13138	3.9
199.14845	10.8
201.16429	13.8
202.25337	2.7
235.16888	27.3
241.19452	6.2
259.20502	10.4
275.81473	3.0
277.17953	21.9
277.21652	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	277.2159
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
53.03946	3.0
55.05505	25.9
57.07065	3.5
63.18055	1.6
67.05486	42.8
69.03444	1.9
69.07050	21.9
71.04969	2.0
79.05471	76.7
81.07036	44.7
81.11150	1.6
81.31430	1.6
83.04979	2.7
83.08611	2.6
91.05453	37.8
93.07021	100.0
95.04953	8.0
95.08587	28.6
97.10159	2.1
105.07021	18.7
107.08570	45.3
109.06466	2.6
109.10133	12.2
117.07003	3.6
119.08544	17.3
121.10137	26.1
123.08051	1.8
123.11678	2.0
129.06982	2.8
131.08557	7.5
133.10101	19.0
135.08078	1.6
135.11676	26.3
145.10162	3.1
147.11665	9.3
149.13254	9.7
157.10091	3.8
159.11711	2.7
161.13225	2.3
161.23055	2.1
167.76097	1.7
171.11700	2.2
175.14842	3.6
185.13333	2.3
259.20459	3.3
277.21561	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	277.2158
Annotation	Stearidonate
Peak:m/z	Relative Intensity
50.60984	2.2
55.01865	2.2
55.05502	14.8
57.07058	4.9
57.37479	2.1
59.04997	3.9
66.28619	1.9
67.05496	68.0
69.03400	2.8
69.07043	26.8
71.04982	16.0
79.05470	27.5
81.03405	2.7
81.07040	46.3
82.66302	2.3
83.04958	3.3
83.08628	2.7
91.05445	19.1
92.09308	2.6
93.07018	44.4
95.04964	4.8
95.08591	37.8
95.67542	2.9
105.07003	32.6
105.80167	2.5
107.08578	53.7
109.06500	13.9
109.10144	100.0
111.08081	2.4
119.08580	20.8
121.10121	22.6
121.68977	2.2
123.08062	9.5
125.09599	5.4
127.07577	3.1
131.08553	12.0
133.06476	3.6
133.10124	13.4
135.08020	3.3
135.11684	3.5
137.09595	47.5
140.51755	2.7
145.10127	15.8
147.11639	5.3
149.13264	4.5
151.11191	12.7
157.10054	2.7
159.11650	13.4
161.13177	4.3
163.72961	2.5
185.13196	3.4
201.16293	23.0
241.19522	10.9
259.20499	13.6
260.69681	2.3
277.18695	2.7
277.21555	27.7
283.16162	2.4
298.04239	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	277.216
Annotation	Stearidonate
Peak:m/z	Relative Intensity
54.81215	3.6
55.05500	24.0
56.96575	4.5
59.09392	4.1
60.16307	3.8
67.05489	17.4
69.07038	14.3
71.04606	3.6
71.04969	18.5
79.05466	27.7
80.07063	3.7
81.07035	40.7
83.04967	7.3
85.06513	5.3
91.05455	38.3
93.07023	65.5
95.04956	7.0
95.08590	49.4
97.06506	17.7
99.04436	4.6
105.07023	77.4
107.08568	66.9
109.06512	17.0
109.10139	32.2
111.08096	6.9
115.82397	3.6
117.06981	7.8
119.08558	49.6
121.10129	31.7
125.09624	32.4
131.08549	43.9
133.10104	100.0
135.11684	17.8
142.07872	4.4
143.08553	19.0
144.09291	6.6
145.10086	42.8
147.11646	8.2
149.13239	7.7
151.11125	4.9
154.63191	3.6
156.15588	4.3
157.10133	16.5
158.10889	6.5
159.11688	60.3
161.13278	5.8
171.11638	5.3
173.13223	47.4
175.11098	5.2
175.14810	19.5
185.13243	5.8
191.14241	5.4
199.14815	16.9
201.12750	6.0
201.16389	36.6
222.80058	3.8
241.19511	18.3
259.20572	22.0
277.17953	5.1
277.21698	20.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2158
Annotation	6Z,8E,10E,12Z-Octadecatetraenoic acid
Peak:m/z	Relative Intensity
55.05497	19.0
56.49562	3.5
56.77411	3.4
56.96542	6.4
57.07067	5.8
64.33823	3.9
67.05499	61.7
69.07062	34.6
71.04971	23.5
79.05471	36.5
80.38548	3.7
80.92676	4.1
81.07032	100.0
82.55350	4.0
83.04948	10.2
85.06506	9.0
91.05462	32.8
93.07025	74.2
95.04932	5.4
95.08581	59.6
97.06515	9.9
97.10165	4.3
99.04490	4.1
105.07007	74.2
107.02391	3.9
107.08569	68.3
109.06508	35.2
109.10137	89.0
111.08034	5.5
113.09650	4.6
117.06988	8.9
119.08556	44.8
121.06441	4.4
121.10102	55.1
123.08057	8.2
123.11671	4.4
125.09599	7.7
129.06990	7.8
131.08557	32.2
133.10118	54.3
135.11652	14.6
137.09555	13.7
142.07747	4.7
142.23293	4.7
143.08525	7.8
145.10095	32.4
147.11688	21.7
149.09578	6.7
151.11186	7.3
151.16963	4.2
157.10066	7.5
159.11659	29.2
161.13234	23.5
171.11583	8.0
173.13213	25.5
177.12659	4.6
185.13231	9.5
187.14795	4.4
199.14632	4.3
201.16319	21.4
201.54594	4.7
235.18723	4.2
241.19476	21.5
259.20526	17.5
274.31403	4.3
277.18198	8.0
277.21487	35.0
292.59476	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	277.0768
Annotation	Unknow
Peak:m/z	Relative Intensity
69.03397	2.6
71.04990	2.4
81.03400	11.5
85.02898	3.2
99.04403	2.2
100.00058	1.7
101.00853	24.2
109.02867	9.4
113.00830	1.5
115.02438	3.7
118.01112	7.8
118.08678	1.7
119.01897	100.0
127.80293	1.4
127.95284	1.9
131.01912	10.8
133.03438	19.1
137.02953	29.0
139.02428	2.4
143.01857	12.8
145.03436	14.5
151.04478	2.9
156.02626	3.3
157.03442	50.8
159.01385	9.0
159.05014	2.7
160.02202	3.6
161.02925	54.6
163.04509	3.2
169.03419	2.2
171.05017	2.1
173.02985	2.1
175.04472	40.7
176.61719	1.6
178.03210	2.3
179.04016	2.2
179.68156	1.6
183.04959	2.5
185.02919	22.7
187.04503	7.4
189.06096	2.2
199.04512	6.7
201.06091	6.6
203.03952	16.6
217.05595	6.1
221.05142	2.2
235.06714	2.6
244.40871	1.5
245.04985	2.2
259.06778	5.2
277.08255	41.9
295.08682	87.1
296.74130	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.2159
Annotation	14,15-Dehydrocrepenynic acid
Peak:m/z	Relative Intensity
53.03928	1.9
55.05510	17.5
56.17197	1.2
57.07059	9.8
63.97623	1.4
65.42731	1.4
67.05489	15.5
69.03410	1.8
69.07048	19.1
71.04614	2.3
71.04978	44.3
72.93553	1.3
77.41706	1.4
79.05482	14.4
81.07041	26.6
83.04945	8.7
83.08586	6.8
85.06515	14.5
91.05452	23.6
93.07018	35.3
95.04946	3.8
95.08581	26.0
97.06512	3.5
97.10145	1.6
99.04433	100.0
101.06001	3.0
105.07008	33.5
107.08575	33.1
109.06498	13.3
109.10152	14.3
117.06992	9.9
119.08543	31.0
121.10094	16.4
123.08070	1.9
123.11681	3.7
125.09550	2.4
127.07536	11.0
129.06969	1.9
130.07816	1.8
131.08548	22.7
133.10107	18.6
135.11650	6.7
137.09590	3.5
143.08560	15.8
144.09286	3.6
145.10109	39.4
147.11658	8.5
149.13261	6.8
151.11182	2.5
157.10117	11.6
159.11642	43.2
161.09520	2.1
161.13261	3.1
163.03864	2.0
163.11148	1.5
163.14795	2.6
171.11731	2.7
173.13225	8.3
175.14854	1.9
177.12691	7.9
185.13191	7.9
187.14876	3.0
195.13777	3.1
199.14799	8.9
201.16360	46.6
203.14197	3.6
215.07056	1.9
219.17404	2.5
241.19492	19.7
259.09619	2.7
259.20505	24.8
277.18341	2.6
277.21567	33.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0682
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29571	17.9
52.90889	15.0
54.81469	21.6
55.05497	19.2
58.00713	14.5
59.25767	13.7
60.66269	20.6
62.19708	16.5
64.33054	15.7
64.73863	15.7
69.03421	93.6
70.06571	36.3
72.73660	19.3
81.06181	16.1
83.04963	41.2
84.04484	30.1
84.08159	22.9
85.02895	37.3
97.02863	100.0
111.04435	23.4
115.03924	38.9
116.07069	40.7
129.05592	19.2
176.08250	41.8
259.74100	19.1
267.43787	21.1
274.05695	18.8
277.03278	26.1
277.06454	37.6
277.09155	33.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0704
Annotation	Corymbiferan lactone A
Peak:m/z	Relative Intensity
55.05492	1.4
56.96548	1.1
60.19856	1.0
67.05489	5.0
69.03407	2.0
69.07046	3.9
71.04958	1.2
79.05464	1.7
79.82607	0.9
81.07021	5.6
83.01308	1.6
83.04974	1.8
85.06499	1.5
91.05459	6.5
91.25888	0.9
93.07029	7.7
95.04953	1.4
95.08572	4.6
97.06501	2.2
105.07010	5.9
107.08562	6.4
109.06503	1.5
109.10148	1.4
115.05414	2.3
117.06976	1.4
119.08537	5.4
121.10133	1.7
131.08545	2.0
133.04948	1.1
133.10168	1.6
135.04379	1.7
135.08034	1.3
135.11734	1.6
143.08470	1.0
145.02838	1.1
145.06462	11.5
145.10001	1.2
147.08018	1.0
147.11728	1.6
149.13316	1.1
157.04878	1.0
158.03598	2.4
159.11580	1.3
160.05177	1.8
161.05870	2.3
163.03868	1.6
165.05440	21.6
170.26103	1.0
173.02342	1.6
173.05884	8.7
175.07452	6.9
185.05943	1.9
186.03046	2.3
187.03816	2.0
188.04668	8.4
191.07016	2.2
201.01753	4.0
201.05357	2.0
203.06996	25.1
207.06516	4.8
213.05469	1.2
216.04134	36.6
216.06181	1.8
231.06477	100.0
235.05833	1.6
236.88025	1.0
244.03622	6.4
246.01433	1.2
249.07503	45.9
259.05966	30.3
259.08990	1.9
259.09839	2.2
274.82404	1.1
277.07019	74.2
277.13934	1.5
277.17725	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	275.2003
Annotation	Cinmethylin
Peak:m/z	Relative Intensity
51.93263	4.6
55.01871	6.7
55.05493	28.4
57.07061	20.8
67.05486	33.4
69.07053	12.2
70.06573	12.2
79.05470	56.3
81.07043	100.0
83.04951	5.0
88.07602	12.1
91.05458	44.8
93.07013	42.1
95.04946	6.9
95.08582	25.1
98.02538	5.7
100.78746	5.4
105.07028	66.0
107.04955	20.7
107.08580	30.6
109.06467	36.2
109.10177	12.7
119.08566	33.2
121.06499	8.9
121.10162	10.8
123.08144	5.2
131.08521	8.7
133.10130	28.7
140.39505	5.5
145.10147	11.7
149.09613	11.1
159.11674	6.5
163.11116	5.0
234.62231	5.6
257.79535	5.2
270.77737	6.3
274.27319	43.2
275.19980	88.1
275.27692	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	277.0078
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18416	0.3
56.96555	11.2
57.07048	0.5
70.44097	0.4
71.95245	0.5
98.97554	100.0
101.00838	0.5
114.46935	0.4
116.98590	94.6
118.98180	0.7
118.98988	0.6
119.01884	5.7
134.99628	57.0
137.00066	0.6
137.02943	2.0
138.83954	0.4
140.00182	1.0
145.03473	0.6
153.00676	12.0
157.03421	2.1
158.01176	0.9
161.02925	1.8
172.73447	0.4
175.04483	2.5
177.00911	0.5
179.00673	2.6
185.02893	0.7
190.69194	0.4
205.02173	1.8
210.95760	0.6
216.98529	0.5
219.02072	0.5
221.01797	0.6
228.65587	0.4
232.02071	0.4
234.99686	0.8
240.98579	2.6
258.97110	0.6
258.99661	34.3
277.00745	80.3
277.07510	2.7
292.98532	0.5
294.98358	1.0
295.01813	0.8
295.05600	0.6
295.08655	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	274.9748
Annotation	Unknow
Peak:m/z	Relative Intensity
55.56792	0.3
56.66655	0.4
56.96553	14.8
67.85393	0.4
71.95250	0.5
92.08862	1.0
98.97557	100.0
99.13096	0.4
99.62518	0.4
101.00897	0.5
115.02052	0.4
116.98595	66.1
119.01903	2.3
130.93262	2.3
134.99628	24.4
137.02924	0.8
153.00697	2.0
172.94293	3.8
177.00925	2.1
184.61209	0.5
190.95369	5.5
203.02341	0.5
208.96437	0.8
214.95389	0.8
232.96405	5.8
250.97395	4.0
256.96466	6.7
261.03000	2.9
274.97440	35.2
283.00021	0.5
292.98489	37.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.0909
Annotation	Phloretin
Peak:m/z	Relative Intensity
51.53915	0.1
53.03931	0.2
55.01865	0.2
63.47671	0.1
67.01852	0.1
77.03896	0.2
79.05474	0.8
85.02864	0.1
86.72584	0.1
88.10707	0.1
95.04933	1.4
105.04437	0.2
107.04934	100.0
110.50878	0.1
114.27339	0.1
123.04436	0.7
127.03883	0.8
131.08620	0.1
139.04013	0.1
149.05966	0.3
151.03838	1.8
152.59482	0.2
169.04922	6.1
169.06357	0.3
192.44992	0.2
209.71712	0.2
275.09106	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2004
Annotation	Dicranin
Peak:m/z	Relative Intensity
55.05501	33.6
56.96536	9.9
65.23332	5.5
67.05503	66.6
69.03394	7.1
69.07045	38.5
71.04977	34.9
79.05460	43.3
81.07020	77.8
83.04939	11.9
83.08596	7.2
85.06516	10.1
91.05458	85.3
93.07020	49.7
94.51875	7.6
95.04947	10.9
95.08596	63.0
98.97556	12.2
99.04415	32.4
99.38203	6.9
105.07015	100.0
107.04941	11.8
107.08577	48.3
109.06479	18.0
109.10137	64.9
116.98514	7.4
117.07007	13.7
119.08573	93.0
121.06541	7.6
121.10145	31.6
123.08129	9.1
124.97422	7.3
125.09669	7.7
131.08551	34.0
133.10100	41.1
135.11682	7.2
137.56087	6.6
139.03885	14.7
143.08569	13.5
145.10114	33.2
147.11633	62.1
149.09605	17.5
155.08578	11.4
157.10078	34.7
159.11668	31.6
161.09573	9.6
171.11629	8.7
173.09641	8.1
173.11644	7.5
173.13208	12.6
175.11125	7.4
199.14810	16.9
217.15840	14.8
239.17796	8.3
257.18930	11.9
275.20032	46.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	275.2003
Annotation	Dicranin
Peak:m/z	Relative Intensity
50.76133	1.6
52.86615	1.4
53.03931	3.5
55.01863	14.4
55.05508	23.8
58.46742	1.9
60.28485	1.5
67.05492	29.0
69.07055	16.8
79.05473	28.3
81.07041	39.5
83.04971	4.3
91.05461	53.9
93.07015	25.9
95.01331	2.2
95.04941	4.6
95.08595	18.0
97.06491	7.4
103.05454	2.1
105.07012	100.0
107.04916	8.2
107.08559	17.0
109.06504	4.5
109.10138	13.1
117.06973	15.4
119.08558	36.9
121.06438	2.2
121.10067	8.1
123.08012	1.9
126.01575	1.7
129.06992	2.3
131.08565	17.6
133.10115	45.5
135.08102	2.2
135.11674	3.4
137.74591	1.7
143.08546	7.7
145.10117	16.2
147.11673	17.4
157.10054	3.7
159.11703	8.1
161.13161	2.3
171.11653	4.0
179.65532	2.1
192.97937	2.1
199.14806	2.9
257.19061	4.2
275.14856	2.1
275.19995	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.221
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	4.8
55.05496	25.2
55.60612	2.7
57.07064	29.6
62.06070	7.3
64.72477	3.1
67.05491	32.3
69.07044	19.3
71.04980	30.1
71.08621	11.4
79.05476	32.2
81.06586	5.6
81.07032	76.2
83.08604	5.8
85.06521	5.9
91.05478	38.9
92.09020	4.1
93.06480	6.2
93.07018	100.0
94.29243	3.6
95.04938	16.7
95.08585	71.4
97.06483	4.5
99.66672	3.4
105.07012	62.0
107.04900	5.3
107.08590	44.5
109.06468	26.3
109.10144	23.0
111.08051	47.4
117.06992	8.8
119.08563	82.4
121.10104	38.6
123.08064	4.5
123.11705	15.9
129.06956	7.0
129.10599	3.6
131.08539	34.4
133.10103	38.7
133.10982	4.0
135.11673	8.6
137.09537	5.1
143.08533	13.2
144.09296	6.4
144.85655	4.2
145.10100	45.8
147.11647	25.0
149.13225	6.0
157.10106	25.2
159.11658	64.3
161.13222	17.6
171.11656	8.4
173.13199	18.1
175.14799	6.3
177.12759	4.8
185.13229	7.5
189.16309	20.5
199.14813	7.4
207.13353	4.1
212.23735	5.7
213.16367	8.7
215.17894	48.9
216.01099	3.9
216.87451	3.5
230.24724	81.5
238.46094	4.1
239.17159	3.5
255.20976	36.2
272.29318	4.6
273.19138	4.8
273.22058	48.1
273.25247	25.1
273.29636	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	274.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
52.68436	0.6
56.09687	0.6
103.05450	9.8
107.04936	4.6
121.06513	0.9
123.04401	100.0
131.04893	28.6
132.48273	0.9
147.04390	7.9
149.05969	12.0
151.03882	1.1
159.04391	10.6
161.03587	0.7
164.20528	0.8
165.05484	2.9
175.03856	12.7
177.05431	37.9
193.04936	29.9
203.03365	17.1
211.05954	16.0
221.04427	25.2
239.05457	22.0
257.06528	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	274.2737
Annotation	Hexadecasphinganine
Peak:m/z	Relative Intensity
55.26830	0.4
57.06817	0.6
57.07069	13.4
58.06560	0.5
59.02854	0.4
62.06093	0.5
64.77805	0.5
65.81886	0.4
70.06580	19.1
71.08617	5.5
78.47909	0.6
85.10170	0.7
88.07616	24.0
88.20457	0.4
88.61840	0.4
96.61054	0.4
100.12974	0.4
101.80948	0.5
102.09170	5.3
106.08654	11.8
116.23107	0.5
178.00311	0.6
216.34538	0.5
230.24815	0.6
256.26324	9.2
274.27350	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1117
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
53.03923	0.6
57.07037	0.9
58.06585	1.6
62.06065	0.8
67.05486	0.8
79.05470	5.1
81.07015	1.2
84.75843	0.7
86.35173	0.6
91.05421	1.2
93.15936	0.6
94.34210	0.6
95.04937	4.4
105.07013	1.4
107.04930	65.8
119.08570	0.7
121.10108	0.9
123.04402	2.8
125.05965	6.9
135.05499	2.9
137.05943	100.0
149.05934	0.8
150.46445	0.9
213.16331	0.8
272.29343	6.5
273.29733	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	273.2208
Annotation	androstenone
Peak:m/z	Relative Intensity
50.91709	2.1
55.05499	11.8
57.49578	2.1
67.05485	11.3
69.07037	12.0
71.04968	23.5
79.05466	12.7
81.06588	3.0
81.07036	59.7
83.08636	2.8
91.05457	13.5
93.07008	34.2
95.04948	3.0
95.08572	23.7
105.07012	52.4
107.04983	7.0
107.08599	35.2
109.06466	4.9
109.10136	14.1
111.08070	26.6
113.09627	4.8
114.95417	1.9
117.06973	9.5
119.08561	100.0
121.10124	28.0
123.11676	15.0
129.06944	2.8
131.08549	19.2
133.10114	14.0
135.03583	2.3
135.11702	4.8
137.05943	4.9
137.09616	3.1
142.07767	2.7
143.08545	14.6
145.10086	27.0
147.11591	15.1
149.13248	4.8
157.10092	22.1
159.11656	62.5
161.13231	13.6
163.11154	3.1
163.14809	2.9
171.11664	13.5
173.13219	24.2
177.12709	9.1
185.13245	10.0
187.14824	4.8
189.16341	9.4
199.14816	14.2
213.16341	14.9
215.17911	57.2
229.19456	9.0
231.21127	3.4
255.21014	48.8
257.32013	2.3
273.22067	67.6
280.94174	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1119
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
52.67859	0.6
52.94753	0.6
53.03926	0.6
79.05468	6.1
81.07028	1.2
91.05453	1.4
93.07053	0.9
95.04912	2.7
107.04941	73.2
109.06478	0.9
119.08540	0.7
121.06473	1.2
122.03630	0.9
123.04435	2.8
125.05966	8.1
135.05516	3.7
137.05959	100.0
149.06012	0.8
171.07954	1.0
172.05182	0.8
179.07111	0.8
210.97925	0.7
215.03340	0.7
227.06984	2.9
229.04788	0.9
258.05307	5.4
273.07526	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	273.1119
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
53.03928	1.0
61.13587	0.3
67.05482	0.8
69.07054	0.7
71.05034	0.5
79.05469	5.4
81.07028	1.7
91.05463	0.6
91.68052	0.4
93.06995	1.5
95.04932	2.7
95.08589	0.6
105.07027	0.6
107.04942	75.6
107.08550	0.7
109.06490	0.8
119.08590	0.7
121.06515	0.6
122.03641	1.0
123.04425	3.7
125.05975	6.2
131.08508	0.4
135.05525	3.3
137.05963	100.0
145.49620	0.4
147.11635	0.6
149.05969	2.3
151.07487	0.6
157.10112	0.5
179.07149	0.5
184.05128	0.5
196.16487	0.5
227.07060	2.2
273.07587	0.8
273.11450	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.1119
Annotation	3',4'-Dihydroxy-7-methoxyflavan
Peak:m/z	Relative Intensity
50.20993	0.2
51.02383	0.2
53.03937	1.1
55.01876	0.4
55.05502	1.4
55.39860	0.2
56.96563	0.5
57.07072	0.2
59.45490	0.2
60.58285	0.2
63.27281	0.2
67.05489	1.3
69.07065	1.2
70.67600	0.2
71.04971	1.7
79.05479	7.5
81.07029	3.8
82.07393	0.3
83.08624	0.6
85.06537	0.4
88.28363	0.3
91.05456	1.3
93.07011	1.9
95.04942	3.8
95.08581	2.9
97.10123	0.3
97.39182	0.3
98.97552	1.0
103.05453	0.4
105.04517	0.5
105.07027	1.4
107.04942	75.0
107.08563	1.7
109.06517	1.2
109.10121	0.9
111.76456	0.3
116.98594	0.4
119.08554	0.9
121.06509	1.2
121.10136	1.5
121.75079	0.2
122.03621	1.4
123.04419	3.3
123.11673	0.3
125.05968	7.9
128.42706	0.2
131.04921	0.4
133.10133	2.3
134.10460	0.3
135.05527	3.8
135.11629	0.4
137.05959	100.0
147.11671	0.4
149.05937	1.4
149.13248	0.5
151.07486	0.3
163.21223	0.3
167.07063	0.3
167.14351	0.3
176.52705	0.5
179.06961	0.3
181.06470	0.4
210.01952	0.5
267.16510	0.3
273.07529	1.0
273.25772	0.5
275.08984	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0755
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
53.03928	0.6
55.01867	1.0
55.05497	0.6
56.96572	0.6
67.01846	1.4
67.05486	0.8
68.99781	2.6
69.07063	0.7
70.36073	0.6
79.05475	1.2
81.07023	2.7
89.93092	0.7
91.05471	7.5
93.07024	2.8
95.04944	3.4
95.08574	1.1
97.02861	0.9
98.97555	0.8
105.07013	1.1
107.04938	43.8
107.08591	1.3
119.04919	17.9
119.08567	1.3
121.06474	4.8
121.10081	0.8
123.04399	5.1
137.05922	4.9
145.10172	0.9
147.02635	0.8
147.04390	40.8
149.05983	3.8
153.01808	100.0
161.05954	6.3
161.52647	0.6
167.07011	10.3
171.02878	2.9
179.03346	8.0
197.04468	0.8
273.07541	41.1
273.10645	2.3
288.91064	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0757
Annotation	Dihydrogenistein
Peak:m/z	Relative Intensity
53.03917	0.8
55.05510	0.9
58.24195	0.5
60.41769	0.5
64.32452	0.4
67.01862	1.3
67.05480	0.8
68.64179	0.5
68.99785	0.9
69.03409	1.3
69.07062	0.8
71.04951	0.6
74.91038	0.5
78.70420	0.6
79.05478	1.5
81.07045	2.3
83.04975	0.7
84.88747	0.5
85.02871	0.6
91.05479	8.9
93.07006	1.0
95.04937	3.1
95.08571	1.4
97.02881	0.5
103.05399	0.6
105.07042	2.0
107.04941	63.8
107.08570	0.6
109.06479	0.8
109.10182	0.6
117.94517	0.5
119.04923	17.9
119.08532	0.8
121.06493	6.3
121.10086	1.2
123.04439	5.0
123.40351	0.6
131.04893	0.6
131.08588	0.9
137.05975	3.0
147.04393	39.9
149.05946	5.3
151.03883	0.9
153.01811	100.0
161.05954	7.0
167.07002	11.3
171.02837	3.7
179.03416	1.1
181.06395	0.7
273.07532	45.2
273.10632	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	HYDRAMACROPHYLLOL A
Peak:m/z	Relative Intensity
51.02366	0.5
53.03930	0.6
55.01841	0.5
55.05500	0.4
56.96558	0.9
64.18537	0.3
65.03912	0.5
67.05482	2.3
68.99765	1.5
69.07030	0.3
71.04974	0.5
77.03910	0.7
79.05466	2.4
81.03403	0.4
81.07032	1.8
82.26568	0.4
88.98362	0.4
91.05459	4.4
93.07031	2.9
95.04948	4.0
95.08576	0.6
98.97557	1.8
103.05518	0.5
105.03359	2.7
105.06994	0.7
107.04942	5.2
107.08551	0.7
109.06527	0.9
111.00764	2.2
111.04434	0.8
112.42393	0.4
116.98595	0.6
117.06986	0.5
119.04887	0.5
119.08571	0.4
121.06474	0.9
121.10130	0.8
123.04402	100.0
129.06972	0.5
131.08536	4.1
131.42538	0.4
133.06491	2.1
135.04367	4.1
137.05945	10.8
139.03865	2.6
143.00163	0.4
145.06468	0.9
146.03578	0.5
146.99733	0.5
147.04367	5.7
147.08034	0.5
149.02318	2.0
149.09615	0.5
149.84766	0.5
151.03900	1.9
161.05945	36.0
163.03851	2.6
163.07513	2.2
175.07495	0.6
181.06441	0.4
185.05989	0.6
189.05371	0.8
199.07553	0.5
210.70676	0.4
212.08223	0.3
213.09131	2.0
218.66333	0.4
231.06529	1.6
255.13689	4.5
273.07535	11.9
273.14618	3.1
287.05643	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0753
Annotation	CHEBI:68126
Peak:m/z	Relative Intensity
53.03904	0.3
53.57071	0.3
54.81701	0.3
55.05488	0.3
65.11032	0.3
67.05474	1.3
69.07030	0.4
79.05430	0.4
81.07013	1.3
91.05474	0.5
92.09355	0.8
93.06960	0.5
95.04927	1.2
95.08553	0.8
98.05008	0.3
98.78709	0.3
105.07064	0.4
107.04924	0.7
109.06441	0.4
115.05421	2.4
123.04364	0.6
128.05264	0.6
128.06198	15.8
128.96431	0.3
129.06955	1.4
135.04405	4.3
137.05931	1.2
140.06146	0.6
141.06990	3.2
143.08510	0.4
144.05692	3.4
145.06572	1.0
149.05962	3.9
152.06207	0.4
155.04881	0.6
155.06004	0.6
156.04408	0.5
156.05670	12.3
157.06409	0.8
159.04393	0.5
159.08038	2.7
161.05956	0.4
165.05441	1.4
168.05629	2.3
169.06473	0.4
171.08012	20.8
172.05148	0.6
183.04359	2.7
184.05164	28.8
185.05870	0.7
187.03963	0.5
187.07510	1.7
189.09087	0.5
197.05905	0.8
199.07504	19.6
200.04637	2.2
200.80360	0.4
201.05463	0.7
202.06270	0.5
212.04655	14.8
213.05513	0.5
215.03371	1.5
215.06940	0.7
217.08527	0.7
227.06985	100.0
228.07317	0.6
229.04836	1.4
230.05688	2.7
240.04028	1.6
243.06436	1.3
245.08095	1.5
255.06462	21.6
258.05200	1.7
273.07516	54.5
292.59134	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	273.0754
Annotation	(plusmn)-Naringenin
Peak:m/z	Relative Intensity
54.81544	0.3
56.96546	1.2
61.38418	0.2
65.24933	0.2
67.01862	2.4
68.99770	1.8
69.03397	1.8
81.03388	0.2
81.07040	0.3
83.01332	0.3
83.04959	0.3
85.27962	0.3
90.86092	0.3
91.05457	5.4
95.04943	2.4
97.02875	1.6
98.97554	0.5
99.39922	0.2
106.64241	0.2
107.04953	2.8
119.04919	18.4
121.06473	0.4
123.04411	4.8
126.46249	0.2
128.98508	0.3
147.04388	39.8
151.03940	0.3
153.01805	100.0
171.02866	4.0
179.03337	0.9
189.05495	1.1
231.06288	0.3
255.06473	0.3
273.07520	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	272.2218
Annotation	Unknow
Peak:m/z	Relative Intensity
50.99991	1.2
53.00296	2.0
55.05504	13.6
56.96537	1.8
57.07067	2.2
59.04990	2.9
61.21238	1.4
63.39803	1.3
67.05490	18.6
69.03426	6.4
69.07051	18.2
70.06582	1.4
70.98170	1.3
71.04978	80.8
73.06557	5.9
76.17372	1.4
79.05474	29.8
80.05312	1.4
81.07033	62.7
83.04986	1.4
83.08597	13.3
85.06521	6.0
91.05459	20.3
92.15607	1.3
93.07022	38.4
95.04935	4.3
95.08582	55.7
97.06524	8.4
97.10148	2.0
99.08067	23.8
105.07008	60.4
107.04940	30.1
107.08568	42.1
109.06529	7.4
109.10135	30.0
111.08074	2.3
117.07001	3.6
119.08548	16.5
121.10128	27.5
123.04424	2.2
123.11697	8.7
125.05965	2.0
125.09618	16.7
127.07558	7.2
127.11169	3.5
131.08472	11.6
133.10098	100.0
135.11742	2.4
137.05954	52.1
143.10651	20.2
145.10068	14.1
147.11647	15.0
149.13245	33.2
151.11171	12.2
155.10713	1.6
156.02135	1.6
159.11693	8.1
161.13266	2.4
167.14270	50.4
167.15582	2.4
169.12207	3.2
173.13275	2.2
201.16382	8.1
219.17398	51.1
237.18533	12.5
272.06122	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	273.0754
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69337	0.2
53.03927	0.3
64.33129	0.2
65.03905	0.3
67.01846	3.1
68.99773	1.5
69.03404	1.4
74.59425	0.2
76.33292	0.2
79.05478	2.0
81.03387	0.3
83.04962	0.3
86.14114	0.3
91.05453	6.2
93.80212	0.3
95.04946	3.1
95.08579	0.3
97.02873	1.2
106.15550	0.2
107.04201	0.7
107.04932	19.2
111.00757	0.5
115.73151	0.3
119.04910	17.2
119.23772	0.3
121.06500	0.5
121.10126	0.3
123.04391	5.5
125.05986	2.0
135.05515	0.4
137.04846	0.4
137.05945	23.8
147.04379	37.2
151.03986	0.4
153.01797	100.0
171.02827	2.4
189.05484	0.5
231.06456	0.4
239.32251	0.3
254.62465	0.3
255.06519	0.5
273.07495	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	272.1126
Annotation	Deidaclin
Peak:m/z	Relative Intensity
53.03941	1.1
55.01867	1.2
56.96559	2.9
57.03429	2.4
59.04969	0.2
61.02644	0.2
61.02918	4.9
65.03925	1.8
69.03410	7.6
70.06565	0.5
71.04961	1.2
71.27705	0.3
73.02896	1.8
73.06542	0.3
76.64695	0.3
79.05477	0.6
81.03388	3.7
83.01311	0.3
84.08115	0.4
85.02888	23.9
87.04442	0.6
91.03936	1.2
91.05447	0.5
92.04980	7.0
95.01259	0.5
95.04952	0.5
96.08105	1.2
97.02861	6.9
98.97558	0.5
99.04436	1.4
106.06547	1.9
107.04937	0.5
109.02870	1.4
109.05232	0.5
110.06023	100.0
111.04404	1.7
116.98621	0.3
119.04911	0.4
121.37312	0.3
121.59522	0.3
122.06004	1.8
123.04424	0.6
127.03904	3.1
134.05965	2.8
134.99590	0.3
135.04385	0.7
143.00185	1.3
145.04907	2.3
146.05992	0.4
147.04356	0.5
151.03831	0.6
152.07045	1.2
161.01230	1.2
163.03879	4.1
164.07042	0.3
176.07045	0.3
179.02249	0.5
189.00679	1.6
191.03331	2.2
207.01753	4.1
215.02159	0.3
219.02997	1.2
225.02731	0.3
226.10802	0.5
236.09035	0.4
254.10129	1.1
272.11255	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	272.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	0.8
54.81377	0.9
55.01862	1.2
56.41425	0.6
56.96555	1.4
59.11027	0.7
61.02901	0.8
64.41076	0.7
65.03924	0.9
66.02127	0.8
67.05479	1.0
68.99773	1.4
79.05473	6.1
85.02907	1.1
89.03861	1.4
91.05462	14.8
96.08075	1.4
107.04945	12.3
111.04314	0.9
117.03354	4.4
119.04925	21.0
123.04417	13.6
135.04395	28.6
145.02844	15.8
147.04390	22.8
149.02286	1.0
163.03876	100.0
175.03882	6.2
191.03358	67.5
193.04912	3.9
209.04478	5.7
219.02853	30.0
219.04979	1.0
237.03883	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	271.2263
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	2.8
55.05502	85.1
55.60022	2.4
56.96544	15.3
57.07055	11.3
64.33430	2.4
67.05485	61.0
69.07047	100.0
70.86353	2.5
71.04960	2.8
74.03953	2.6
74.97575	5.1
79.05470	24.8
81.07030	72.0
83.04954	5.1
83.08597	49.5
85.06535	3.1
88.87746	2.7
91.05454	23.4
93.07005	32.2
95.04867	2.8
95.08568	53.6
97.06514	6.0
97.10142	35.7
105.07001	23.6
107.04933	22.1
107.08562	27.1
107.35721	2.8
109.06531	2.8
109.10125	33.0
111.11707	6.7
111.12552	3.1
114.87431	2.9
116.98637	4.0
118.31893	2.8
119.08524	20.0
121.10094	22.4
123.08089	3.4
123.11674	13.3
133.10072	13.1
135.11662	18.3
137.09560	3.6
137.13208	4.9
137.79691	2.6
139.11154	3.5
147.11661	6.6
149.13165	4.3
150.99126	5.9
151.11093	3.9
153.06847	3.0
153.12704	4.8
161.13194	6.5
162.99142	3.1
165.06944	5.9
165.08957	3.3
165.12733	3.0
169.00107	4.6
175.14806	4.2
178.18802	2.8
181.06485	3.3
216.06595	2.9
217.19475	21.0
224.99156	3.6
235.20515	15.6
253.21484	4.5
271.09360	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	271.2052
Annotation	Clathrin B
Peak:m/z	Relative Intensity
53.03944	1.9
55.05491	11.7
56.16195	1.4
56.96552	3.6
57.03418	1.7
59.04976	1.5
62.12658	1.7
67.05493	16.5
69.07045	2.9
71.04987	12.5
77.03870	1.6
79.05479	24.6
81.06602	2.2
81.07041	44.1
83.08597	1.7
85.06518	2.4
91.05458	35.9
92.09321	1.9
93.07024	100.0
95.04959	12.5
95.08581	32.9
97.06490	1.7
101.62466	1.7
103.05475	2.8
105.07011	42.9
107.04934	16.9
107.08585	20.6
109.06508	14.5
109.10136	7.3
111.08038	7.1
117.06979	13.6
119.08561	72.2
121.06403	2.0
121.10121	47.4
123.04415	3.0
128.06198	2.0
129.06961	3.8
130.07750	2.4
131.04826	2.0
131.08533	18.2
133.10118	12.2
135.11658	4.1
137.09583	12.3
141.06924	1.7
142.07739	10.7
143.08511	9.1
144.09367	3.4
145.10106	19.2
147.04398	4.1
147.11662	9.5
150.99194	1.8
155.08476	8.3
156.09305	6.9
157.10110	26.1
159.11646	22.1
165.06865	1.9
169.10046	2.7
171.11653	11.6
173.13287	6.6
175.11163	3.5
177.12688	6.4
187.14728	3.2
197.13235	6.7
213.16405	13.2
242.44109	2.3
253.19487	3.4
271.09824	1.8
271.18198	14.8
271.21005	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	271.2053
Annotation	Clathrin B
Peak:m/z	Relative Intensity
55.05500	9.9
55.40885	1.8
56.96547	3.7
59.04959	1.6
67.05485	9.9
69.07043	9.8
71.04972	3.6
72.67973	1.7
79.05475	3.8
81.07029	19.2
83.08608	4.5
86.03214	1.8
91.05457	10.5
93.07018	20.3
95.08571	23.0
96.02454	2.2
97.10137	2.7
105.06998	26.9
107.04942	18.2
107.08574	10.4
109.10131	8.4
112.77845	1.9
117.06985	8.9
119.07708	3.9
119.08556	100.0
121.10131	15.2
123.11655	2.8
131.08557	7.8
133.10088	4.4
135.11635	1.8
142.07819	3.8
142.99553	1.8
143.08487	4.1
145.10107	16.2
147.11659	4.0
155.08522	2.6
156.09352	2.7
157.10117	15.1
159.11678	10.0
161.13199	2.7
169.10072	13.6
171.11671	12.3
173.13232	3.2
177.12738	9.3
183.11768	2.2
187.14793	3.0
197.13275	4.0
201.16417	2.1
211.14723	3.5
213.16362	12.2
227.17754	3.2
229.19765	2.8
253.19559	4.2
271.20526	21.6
271.24124	8.5
286.60016	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1899
Annotation	CHEBI:66168
Peak:m/z	Relative Intensity
55.05502	18.4
56.96552	24.7
57.03442	3.6
57.07071	8.0
59.04989	5.8
61.79723	3.2
65.03934	5.3
67.05489	55.9
69.07045	31.4
71.04971	56.3
73.06525	6.0
74.97581	5.5
79.05470	28.1
81.07038	68.4
83.04951	6.4
83.08627	9.1
91.05460	25.1
93.07031	52.1
95.04943	57.5
95.08570	39.3
97.06470	5.3
98.97553	5.4
105.07009	45.0
107.04951	6.2
107.08572	100.0
109.06511	14.0
109.10132	72.1
111.08072	20.5
116.98590	5.5
119.08546	39.3
121.10116	27.8
121.90665	3.7
123.11688	4.5
125.09609	32.8
131.08572	15.8
133.10089	23.6
135.08035	5.4
135.11687	45.7
145.10107	17.1
147.08022	7.9
147.11644	54.4
149.09654	4.7
150.99136	8.5
153.12653	30.0
157.10078	5.7
159.11714	7.9
161.09605	5.7
162.99124	4.8
165.12758	4.1
189.16354	16.0
200.04526	6.0
217.15976	14.5
224.99097	5.8
225.05260	4.5
235.16847	19.7
243.00090	5.2
253.17628	5.8
271.06052	31.7
271.08667	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	271.1901
Annotation	Fercoperol
Peak:m/z	Relative Intensity
55.05272	3.2
55.05510	59.9
56.96549	25.6
57.03416	29.4
57.99072	3.4
67.05496	72.5
69.07056	40.0
71.04971	20.4
74.97574	3.5
79.05468	32.6
81.07039	100.0
83.08589	19.0
85.06533	7.3
91.05460	30.8
93.07010	31.6
95.04930	16.8
95.08583	94.6
97.06504	18.7
98.97530	5.0
105.07019	25.3
107.08560	8.0
109.06466	4.6
109.10148	37.7
116.98582	5.2
119.08569	34.5
121.10118	7.4
133.10097	16.4
147.11664	5.7
150.99104	8.2
153.07063	6.1
161.13271	14.5
169.00182	4.8
179.14301	5.6
195.27277	3.7
224.99229	6.9
253.17920	4.2
271.05853	6.5
271.18961	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	271.1326
Annotation	Conferol B
Peak:m/z	Relative Intensity
52.79229	0.1
53.03927	0.6
54.81752	0.1
55.01864	0.2
56.52173	0.1
64.33321	0.1
72.71136	0.1
75.39290	0.1
77.03893	0.2
79.05459	1.4
91.05461	1.1
95.04931	1.2
103.05444	0.2
105.04467	0.5
105.07007	2.1
107.04934	100.0
120.05694	0.2
121.06463	2.6
133.06456	1.5
135.08047	0.3
135.31100	0.1
139.07518	0.6
150.06686	0.3
151.07513	5.3
156.56657	0.1
165.09073	9.6
177.09009	0.2
271.13187	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.1326
Annotation	Conferol B
Peak:m/z	Relative Intensity
53.03947	0.4
55.01863	1.0
56.96568	0.2
64.92256	0.2
69.03416	0.4
72.63296	0.2
79.05479	2.3
81.07056	0.5
91.05462	24.3
91.43166	0.3
93.07008	0.5
95.04955	1.0
103.05431	0.4
105.04480	0.3
105.06986	0.3
107.04940	55.3
109.06512	3.2
110.03664	0.3
117.07005	3.3
119.04928	0.6
119.08561	22.6
121.06509	2.7
123.08035	0.4
125.05952	2.9
128.06183	1.1
129.06972	2.7
131.04857	0.4
132.05696	10.0
133.06500	0.5
137.05957	21.7
145.06462	2.7
147.08029	100.0
149.05984	0.6
149.09618	0.3
151.07507	2.3
155.06128	0.3
164.78021	0.3
165.09094	0.5
167.16609	0.3
177.09111	2.3
224.99306	0.3
257.35013	0.3
271.13248	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	271.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	2.9
55.05506	7.1
55.86845	0.6
56.96563	1.7
57.03427	3.6
65.03912	1.4
67.05515	1.3
69.07042	1.0
70.06573	16.4
72.08141	26.7
73.02901	22.3
73.08467	0.7
79.05462	6.6
81.07036	1.4
85.02889	1.5
90.59452	0.8
91.05455	5.0
93.03378	1.3
93.07025	1.1
95.04959	1.7
95.08595	0.8
98.97559	0.8
103.05451	12.0
105.07027	1.2
105.35095	0.8
107.04947	8.1
108.02106	0.7
110.03662	6.9
111.04451	5.5
116.07086	10.6
119.04930	1.8
121.06487	1.0
123.05543	4.7
125.05967	19.5
131.04907	4.2
131.83250	0.8
137.05992	1.5
141.05452	3.1
149.05978	3.7
151.03889	100.0
151.04950	6.7
151.07512	5.1
167.08524	1.3
179.07011	12.1
181.08641	0.7
191.08528	1.8
197.08052	8.3
199.88646	0.7
219.08173	1.2
236.10625	1.5
240.10291	0.9
243.06679	0.9
253.10811	1.4
253.13336	3.3
271.11664	17.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0962
Annotation	2',4'-DIHYDROXY-4-METHOXYCHALCONE
Peak:m/z	Relative Intensity
56.28264	0.5
56.96546	1.3
57.01826	0.5
59.88280	0.5
68.71064	0.5
68.99778	0.8
79.05500	2.3
81.03391	5.3
84.42339	0.7
93.07018	0.8
100.99158	0.7
105.07018	1.4
106.54153	0.6
107.04939	3.1
109.02871	0.8
109.06487	2.4
110.43382	0.7
111.04427	0.7
117.03362	2.9
118.04160	1.5
119.08560	0.7
121.06481	0.7
121.33028	0.6
133.06462	17.8
137.02312	100.0
137.05927	2.7
159.11635	0.7
161.05942	27.6
163.03897	1.2
165.06996	1.0
175.37294	0.6
225.08908	2.1
249.39757	0.6
253.08478	2.7
271.09583	34.3
278.61746	0.7
285.06015	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0961
Annotation	Haginin B
Peak:m/z	Relative Intensity
55.01856	1.5
56.96543	0.4
61.14081	0.3
65.03924	4.7
67.01862	1.7
67.05505	0.6
68.99780	1.8
71.01349	0.4
79.05479	0.5
86.97606	0.3
91.05434	3.4
92.08687	0.5
93.07008	1.3
95.04926	0.6
95.08587	0.4
98.47684	0.3
102.23870	0.3
103.05444	0.8
107.04937	19.6
107.08560	0.7
111.04430	6.2
117.51143	0.3
119.04918	6.9
121.02844	100.0
121.03914	6.1
121.06491	2.3
123.04403	8.4
129.01784	0.4
134.03636	5.7
135.04436	0.6
138.98082	0.4
141.06987	0.4
145.02791	0.8
147.04381	2.2
149.05946	0.8
151.03906	0.8
153.01797	13.2
153.02998	0.6
155.08484	0.4
162.03078	5.9
163.03883	1.5
165.06955	0.8
169.06451	0.7
171.02873	1.6
177.05421	12.2
183.07985	0.6
197.05957	0.4
210.06702	0.4
225.05540	0.8
229.08549	16.3
243.06601	0.5
260.29315	0.4
271.05972	85.6
271.09546	22.8
272.06262	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.0964
Annotation	Methyl-liquiritigenin
Peak:m/z	Relative Intensity
52.44072	0.1
53.03928	0.2
55.01859	0.2
55.05497	0.6
56.96548	1.9
61.70692	0.1
65.03924	1.4
67.05492	1.3
68.99785	1.3
69.03403	0.8
69.07050	0.7
74.97539	0.2
79.05460	0.5
81.03416	0.2
81.07031	0.6
83.04967	0.1
83.08582	0.3
84.96014	0.2
85.02877	0.5
91.05453	1.0
93.03410	0.2
93.07024	0.3
95.04942	2.0
95.08580	0.5
97.10152	0.2
98.97561	1.5
105.03381	0.2
105.06979	0.2
107.04935	5.2
107.08546	0.2
108.02081	3.3
108.05270	0.2
109.10116	0.2
110.97576	0.2
111.04418	1.3
116.98591	0.7
119.04913	2.1
121.02847	1.0
121.03949	0.5
121.06452	0.5
121.10117	0.2
123.04403	1.2
125.02314	1.0
128.98561	0.2
134.99622	0.3
136.01544	0.5
147.04373	3.7
149.05951	0.7
151.03880	100.0
152.98602	0.3
154.02574	1.6
158.99617	0.2
165.06873	0.1
170.99582	0.5
189.00757	0.2
219.01772	0.2
237.02681	0.2
256.07294	0.3
271.09586	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	271.0785
Annotation	Micrandrol C
Peak:m/z	Relative Intensity
53.88226	1.8
54.34480	2.1
56.28336	1.9
69.03411	2.8
85.02929	2.8
91.05463	5.5
95.08553	3.3
103.53820	2.2
105.06997	2.6
107.04932	2.3
107.08607	2.8
115.05441	3.0
121.40714	2.4
127.00007	11.0
152.01007	2.3
166.97018	2.2
167.06812	4.0
209.07796	5.5
225.07242	8.1
271.04865	3.3
271.07794	100.0
271.10596	4.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	271.096
Annotation	Vignafuran
Peak:m/z	Relative Intensity
50.82351	0.5
52.37608	0.6
53.03921	0.6
53.41834	0.5
55.01849	3.0
56.96544	0.6
65.03925	1.0
67.05475	1.2
68.99767	1.1
77.03883	0.6
79.05472	1.4
81.07024	1.1
91.05460	12.3
95.04948	2.9
97.86092	0.7
103.05449	8.1
105.03351	0.9
105.07000	1.2
107.04911	8.3
115.05380	1.6
118.04075	1.2
119.04894	7.1
121.06473	6.2
123.04398	32.1
125.05939	1.6
129.03342	1.5
131.04907	13.3
133.06464	1.6
135.04390	1.2
137.05954	14.6
141.06950	1.0
144.05673	0.7
146.03590	1.6
147.04379	100.0
147.86298	0.7
149.05968	7.9
153.06969	1.1
155.08551	1.3
157.11412	0.6
161.05939	31.1
162.06621	1.0
165.06927	8.6
167.08429	0.8
169.06342	0.8
178.07724	1.3
179.08473	0.9
181.06419	2.7
182.07272	4.9
183.07986	1.1
185.05901	0.8
193.06461	1.2
194.07207	3.0
197.05997	2.6
197.09544	3.4
200.88286	0.7
203.91574	0.7
210.06737	10.1
211.07512	5.2
213.05431	1.1
221.05989	1.3
222.06764	2.5
223.07545	1.0
225.09032	13.9
226.61063	0.8
238.06197	1.5
239.06911	4.0
240.07782	3.3
241.04878	1.1
243.10066	3.9
253.08522	14.6
255.06445	1.5
256.07242	4.2
271.06049	4.1
271.09558	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	269.1745
Annotation	Arteincultone
Peak:m/z	Relative Intensity
52.27796	1.9
52.50745	2.0
53.03924	3.8
55.05497	24.3
57.03428	45.4
57.07061	5.1
67.05489	70.4
69.03402	3.3
69.07047	36.1
71.04968	5.3
79.05473	53.7
81.07039	100.0
83.04962	11.5
83.08599	13.9
85.06518	4.5
91.05451	23.7
92.63654	2.3
93.07019	59.5
95.04935	9.1
95.08600	30.6
97.06499	18.0
97.07134	2.0
98.97542	2.7
105.07027	17.9
107.04932	12.2
107.08579	35.9
109.10123	3.7
111.08073	9.8
117.06994	8.7
119.08559	4.7
121.06502	4.0
121.10109	17.0
123.08051	2.2
123.11713	4.2
131.04919	25.5
131.08508	14.3
133.10095	12.8
135.08104	2.2
135.11661	8.7
145.06471	2.3
149.13202	25.9
151.07527	3.3
159.11673	14.3
175.07446	4.4
177.12730	3.5
195.13802	5.2
269.11615	18.2
269.17404	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	270.1545
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	2.8
55.01855	2.9
55.05504	10.3
57.03429	5.5
61.02648	0.5
61.02921	10.7
64.74302	0.5
67.85397	0.5
69.03416	17.7
71.04971	3.0
73.02901	3.2
73.06535	50.1
75.55587	0.6
81.03395	7.5
85.02889	100.0
87.04443	2.5
91.03941	3.5
95.72126	0.6
97.02863	23.2
99.04423	4.7
101.20426	0.6
109.02869	7.5
121.65785	0.6
127.03879	16.4
128.72905	0.6
145.04944	22.4
163.05969	8.2
216.40601	0.7
253.12794	3.1
263.73926	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1745
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03937	1.4
55.05503	8.3
55.57735	0.7
57.03428	15.4
57.07054	2.2
67.05495	23.7
67.93964	0.9
69.07055	15.2
71.04976	1.8
79.05473	18.0
79.45079	1.0
81.07038	31.3
83.04977	1.8
83.08604	6.2
85.06549	1.2
91.05476	10.6
93.07022	26.3
95.04949	5.7
95.08586	12.6
97.02848	1.2
97.06519	1.6
97.10162	1.5
99.08086	1.2
103.05464	1.5
105.07042	9.6
107.04940	46.1
107.08587	12.6
108.02085	2.1
109.10156	3.8
111.08055	2.3
117.07000	4.5
120.89003	1.1
121.06482	29.0
121.10124	6.5
123.11608	1.5
131.04912	20.5
131.08565	1.7
133.06480	4.6
133.10075	2.5
135.08075	2.4
135.11681	3.8
135.80153	0.9
137.05954	4.2
145.02844	2.4
145.06448	3.7
149.05962	19.7
149.13261	9.2
151.03879	4.5
151.07506	1.5
157.10059	1.1
158.18565	1.1
159.11679	4.5
163.07520	4.9
169.04880	1.1
175.07556	4.9
177.12782	1.8
194.07324	1.3
195.08009	1.2
195.13695	1.5
211.07330	1.7
223.07457	6.4
226.06212	43.7
226.08386	1.7
237.09157	1.1
238.09775	2.0
244.90283	1.3
252.57307	1.0
254.05663	17.9
254.09328	2.2
269.08047	100.0
269.11584	16.0
269.17407	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	269.1168
Annotation	Unknow
Peak:m/z	Relative Intensity
51.56082	0.8
55.05516	0.9
65.83950	0.8
67.60817	0.8
79.05475	2.2
81.07056	1.3
82.93845	0.8
87.03077	0.8
88.93917	1.0
90.81382	1.0
91.05440	6.4
92.09385	1.8
93.07001	1.8
95.04926	1.5
96.40427	0.8
103.05437	7.6
105.07006	18.2
107.04939	33.9
109.06476	1.5
115.05421	2.1
116.84043	0.9
117.06970	1.1
121.06459	13.8
130.04092	1.6
131.04898	100.0
133.06462	12.6
137.05916	6.4
139.07503	2.1
145.06471	10.6
151.07535	9.3
161.05923	1.5
163.07422	6.6
165.06967	1.2
175.07501	20.8
180.15224	1.1
183.08037	1.2
194.07196	5.4
195.07921	3.4
207.08031	1.4
211.07436	7.2
221.06064	1.0
222.06854	1.2
223.07506	14.3
225.09079	1.9
237.09027	5.3
238.09819	14.4
239.06960	10.2
253.08617	6.2
254.09308	10.4
269.11664	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1168
Annotation	Clusiparalicoline C
Peak:m/z	Relative Intensity
50.53944	0.1
50.72435	0.1
53.03935	0.2
67.71531	0.2
70.95693	0.2
72.19916	0.2
78.53538	0.2
79.05476	1.3
91.05466	0.3
93.07032	0.2
93.96626	0.2
95.04929	1.4
103.05437	0.3
105.07014	2.0
107.04940	100.0
121.06483	3.0
131.04892	3.3
133.06422	0.3
135.08040	5.4
135.49466	0.2
137.05951	1.0
144.98170	0.2
145.06512	1.0
147.60394	0.2
149.05943	0.3
151.07532	0.3
163.07506	11.0
164.70322	0.2
168.09988	0.2
175.07500	1.0
194.07277	0.2
223.07541	0.3
238.09927	0.4
254.09343	0.3
258.25998	0.2
269.11670	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	269.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
53.34010	1.7
53.51202	1.6
55.11739	1.6
57.06686	1.5
79.05462	2.1
91.05450	4.3
103.05437	9.8
105.07024	18.7
107.04942	36.7
114.97277	2.0
121.06474	13.2
131.04901	100.0
133.06454	11.5
137.05956	4.0
139.07497	3.6
145.06465	8.4
151.07538	13.1
163.07513	8.1
175.07489	20.5
176.08298	2.1
183.08038	2.3
194.07237	7.7
195.07964	3.0
211.07516	7.5
223.07466	17.1
237.08951	7.5
238.09863	17.9
239.06958	4.1
253.08646	3.5
254.09201	10.8
269.11655	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	269.117
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
66.71364	0.9
68.58727	1.0
71.11813	1.0
79.05466	1.8
87.45480	1.0
88.34740	1.0
91.05457	6.9
92.08656	1.7
95.04967	1.3
103.05441	11.1
104.90629	1.0
105.07020	22.6
107.04933	36.7
110.64242	1.0
115.05443	2.0
121.06485	16.4
130.04179	1.3
131.04903	100.0
133.06450	13.5
137.05942	9.7
138.84387	1.2
139.07529	2.2
145.06497	9.4
151.07541	16.8
159.78827	1.1
161.05946	1.9
163.07529	7.4
175.07507	23.3
183.08057	2.0
194.07201	7.3
195.08031	5.6
211.07474	10.3
215.86977	1.1
223.07535	20.3
237.09074	7.4
238.09851	18.8
239.06952	10.3
241.12164	1.6
253.08374	8.7
254.09335	15.8
269.08795	2.6
269.11655	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	269.1168
Annotation	Stemofuran L
Peak:m/z	Relative Intensity
52.39190	0.3
52.67381	0.4
53.03920	0.7
55.01872	0.5
55.05507	0.8
57.07065	0.6
57.88294	0.3
62.59972	0.4
63.39501	0.4
63.69987	0.3
67.05479	1.7
69.07047	0.5
77.80042	0.3
79.05475	3.7
81.07046	1.6
91.05459	4.9
93.07022	2.6
95.04941	2.4
95.08566	0.7
103.05441	4.6
105.04500	0.5
105.07006	12.5
105.07655	0.6
107.04937	100.0
107.08543	0.6
109.06504	0.6
115.05479	1.5
117.06970	0.6
121.05702	0.7
121.06491	11.5
130.04129	1.5
131.04903	60.8
133.06476	8.2
135.04382	0.9
135.08037	4.7
137.05968	5.8
139.07495	1.9
145.06456	8.0
147.04369	0.8
151.07524	6.6
157.10117	0.4
161.05917	2.0
163.07494	13.6
165.06984	2.7
167.08452	0.5
175.07515	15.1
176.08311	0.7
181.06374	0.5
183.08029	2.6
184.10002	0.9
194.07265	3.0
195.07994	1.9
197.05980	0.6
201.22110	0.5
207.08072	0.9
209.09610	0.9
211.07526	6.0
222.06741	1.5
223.07489	8.9
226.09811	0.8
237.09134	4.1
238.09840	10.9
239.06999	9.1
241.12067	0.5
253.08429	3.7
254.09344	7.3
269.08267	1.6
269.11661	47.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15980	0.9
55.05495	4.6
57.03426	1.4
57.07055	1.2
65.54290	1.0
67.05484	9.0
69.07055	4.9
72.28757	1.2
79.05473	10.2
81.07042	11.8
83.04987	1.4
83.08582	1.3
89.02636	1.1
91.05462	12.3
93.07019	8.9
95.04943	2.2
95.08582	5.0
103.05438	8.7
105.03344	1.3
105.07012	25.3
107.04937	34.6
107.08575	4.9
115.05428	2.5
117.06976	1.9
121.06476	16.5
121.10110	3.9
131.04903	100.0
131.08514	1.7
133.06459	11.6
137.05978	7.2
139.07530	4.1
145.06458	11.6
147.11702	1.2
149.13242	2.0
151.07507	13.7
159.11676	4.4
161.05946	1.8
163.07509	8.9
165.06979	1.5
175.07510	18.4
194.07265	6.4
195.08080	2.5
211.07498	6.7
223.07494	17.4
225.09137	1.1
226.09735	1.8
236.57913	1.0
237.09070	6.3
238.09889	18.7
239.06982	12.3
250.76833	1.2
252.03348	1.1
253.08440	7.7
254.09341	11.3
256.97574	1.2
269.11685	62.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02366	0.2
53.03933	0.4
55.01863	0.3
55.05499	0.4
56.71236	0.2
57.03427	0.4
57.07080	0.2
63.93008	0.2
67.05488	2.0
69.07045	1.0
74.60094	0.2
79.05469	3.7
81.07053	2.7
83.04931	0.2
91.05466	1.6
91.45882	0.2
92.01739	0.2
93.07011	1.5
95.04945	1.5
95.08583	1.3
99.38536	0.3
100.32372	0.3
103.05453	0.9
105.07014	5.5
107.04942	100.0
107.08581	1.2
109.05819	0.2
109.06480	1.9
117.07012	0.3
117.09563	0.2
121.06465	0.8
121.10137	0.4
131.04901	5.5
133.06461	7.0
133.10129	0.4
135.08015	1.3
137.05957	11.3
139.07494	0.2
145.06444	1.6
145.10141	0.3
149.13260	0.4
151.07480	0.4
159.11613	0.3
161.05975	1.4
163.07501	4.4
175.07527	0.9
178.02184	0.2
200.05231	0.3
223.07616	0.4
238.09914	1.1
239.07071	0.3
253.08501	0.3
254.09402	0.4
269.08566	0.3
269.11673	4.2
269.17255	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	268.1038
Annotation	Adenosine
Peak:m/z	Relative Intensity
54.70411	0.1
55.01858	0.4
57.03422	1.3
59.86714	0.1
61.02893	0.3
61.37400	0.2
68.21234	0.2
69.03401	0.8
69.07050	2.8
70.07363	0.9
71.01321	0.2
71.04941	0.2
73.02895	0.3
83.51926	0.2
85.02900	1.8
87.08077	0.2
89.06028	0.3
97.02877	0.2
115.81193	0.2
119.03515	0.9
121.06475	1.1
121.16710	0.2
122.06808	0.2
136.06166	100.0
137.04619	0.3
163.39861	0.2
165.15929	0.2
180.58073	0.2
235.95230	0.2
263.63348	0.2
268.10352	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	268.1389
Annotation	Unknow
Peak:m/z	Relative Intensity
54.13949	0.5
54.81479	0.6
55.01871	1.0
57.03419	1.3
60.14522	0.6
61.02908	1.3
62.97581	0.7
69.03412	5.0
71.04976	89.1
73.02888	1.1
73.92254	0.7
81.03401	1.0
85.02895	17.5
89.06015	100.0
92.09306	1.4
97.02862	4.2
101.05939	0.8
110.99543	0.7
121.06483	3.4
127.03905	1.7
136.06163	4.6
137.04550	1.6
145.04915	1.3
152.07072	0.7
183.66980	0.7
185.13046	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	269.0805
Annotation	5-Hydroxy-3'-methoxyflavone
Peak:m/z	Relative Intensity
53.03939	0.5
55.05488	1.7
57.03425	3.0
57.07050	0.3
67.05488	4.1
69.07047	2.0
69.33107	0.4
71.04958	0.7
79.05462	4.8
81.07034	6.5
83.04953	0.4
83.08585	1.6
91.05450	4.5
92.09253	0.5
93.07009	4.9
95.04932	2.0
95.08599	2.7
97.02861	2.1
97.10142	0.4
103.05427	0.9
105.07010	3.9
107.04939	21.2
107.08596	3.1
107.09197	0.4
108.02045	3.8
109.06521	0.4
111.08102	0.4
117.06992	0.5
117.60590	0.4
119.04960	1.5
119.37060	0.5
121.02830	0.8
121.06470	10.7
121.10116	1.5
123.04345	0.5
125.02323	2.3
131.04900	14.4
133.06433	1.6
133.10103	0.6
137.05948	1.7
139.07559	0.4
145.02827	4.5
145.06456	2.5
149.05965	6.8
149.13176	1.4
151.03888	5.7
151.07542	0.8
159.11673	0.6
163.03844	3.1
163.07504	2.5
165.07135	0.4
167.08507	0.6
169.04932	1.5
169.06358	0.5
170.07204	0.6
175.07547	2.6
181.06465	0.8
194.07324	0.5
195.08031	3.3
197.06093	0.5
198.06702	0.9
205.06477	0.5
211.07375	0.5
222.06689	0.6
223.07436	4.4
226.06198	34.8
238.09853	2.6
239.06941	1.5
241.08510	1.7
251.06918	0.9
253.08578	0.9
254.05693	12.5
254.09241	1.5
269.08029	100.0
269.11514	9.4
269.17450	2.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1436
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75242	0.2
50.97532	0.3
53.00300	0.6
57.03428	0.8
57.07071	0.4
61.02902	0.7
66.33121	0.3
67.05491	1.8
69.03413	3.1
69.07052	100.0
71.08625	0.3
72.93737	0.4
81.03404	0.7
85.02459	0.4
85.02887	13.3
87.08086	42.7
90.94789	0.4
92.09199	0.4
95.01328	0.3
97.02870	2.2
98.97535	0.3
101.20339	0.3
105.09119	13.4
106.22582	0.3
109.02872	1.3
120.04433	4.7
127.03933	0.5
167.85246	0.4
200.85643	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1588
Annotation	Rugosal A
Peak:m/z	Relative Intensity
53.03955	2.4
55.05495	13.8
56.96548	3.2
57.03426	7.8
57.07071	14.5
67.05492	45.6
67.87965	1.3
69.03407	1.6
69.07053	17.7
71.04980	2.4
71.08617	7.2
76.70430	1.4
79.05475	24.2
81.07036	100.0
83.04955	8.1
83.08610	6.7
85.06535	8.3
85.10164	1.8
86.68153	1.5
90.69205	1.4
91.05451	31.4
93.07020	19.0
95.04932	5.2
95.08575	36.3
97.06487	7.7
98.97540	3.3
99.08072	2.2
105.03333	2.8
105.07005	40.7
107.04945	6.0
107.08590	11.9
109.06510	6.5
109.10144	1.8
111.08073	1.5
114.36183	1.9
119.08554	35.5
121.02776	1.9
121.06491	3.4
121.10119	17.4
123.07993	2.5
123.11679	16.1
125.35596	1.6
128.33235	1.7
129.07008	2.9
131.04855	3.7
131.08554	3.0
133.06363	2.1
133.10104	7.8
145.06461	1.6
145.10136	2.3
147.11658	38.0
157.10069	1.9
165.12729	9.4
175.11177	1.8
175.14510	1.9
249.11058	3.1
267.10367	1.5
267.15829	65.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1437
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00299	1.1
53.74831	0.2
54.81664	0.3
55.01864	0.6
57.03426	0.7
57.07064	1.2
61.02917	2.6
67.05497	0.6
69.03414	3.1
69.07054	100.0
71.04978	0.4
71.08591	0.3
73.02898	0.6
74.49727	0.3
75.12690	0.2
76.55964	0.3
81.03406	1.6
83.03712	0.2
85.02888	11.4
85.06572	0.3
85.80566	0.2
87.08090	31.4
97.02881	2.5
103.03922	0.5
103.05406	0.3
105.03367	0.3
105.09123	8.7
109.02895	1.2
119.04970	0.6
120.04462	0.7
127.03880	0.5
128.88794	0.3
147.04436	1.7
161.05992	0.3
162.03050	0.9
163.03935	0.4
177.05428	6.1
192.04199	1.2
205.05028	0.3
207.06580	0.5
227.34364	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1225
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
50.26931	0.7
55.05489	4.3
56.96548	4.5
57.03434	1.3
57.07069	8.0
67.05487	5.5
69.03417	2.5
69.07044	2.6
70.02402	0.9
71.04976	1.6
71.08611	5.0
74.41938	1.0
79.05461	7.1
79.72579	0.9
81.03381	1.8
81.07044	8.5
83.04954	4.6
83.08583	0.9
85.02874	2.3
85.06527	1.0
85.10139	2.0
91.05452	13.4
93.07021	4.1
95.04941	4.7
95.08581	6.0
97.02850	1.2
97.06506	1.7
105.03346	9.0
105.07012	11.6
107.04940	6.9
107.08552	2.5
109.06485	1.6
109.10128	2.4
115.05423	7.7
116.06225	2.3
117.06994	4.8
119.08544	4.4
121.02811	1.8
123.04371	4.6
123.08063	1.4
128.06177	12.1
129.06979	29.4
131.04929	1.8
131.08536	27.8
132.05611	1.2
133.06477	5.3
133.10126	5.0
135.08014	1.3
141.06938	16.8
142.07742	8.4
143.08514	8.2
144.05659	18.1
145.06477	9.6
145.10123	1.8
146.07230	5.2
147.04318	1.8
147.08020	1.0
147.11694	2.4
149.09604	1.6
152.06183	1.5
153.06908	1.6
155.05997	1.4
156.05725	1.3
157.06441	10.9
158.07268	2.1
159.08005	40.7
161.05936	6.8
161.08400	1.2
161.09506	8.3
169.06339	2.0
169.07637	4.3
170.05838	1.8
170.07198	12.6
171.07965	9.2
172.05191	4.3
173.05971	5.7
174.06798	2.2
175.07504	5.4
185.05984	1.4
186.06708	1.6
186.10855	1.3
187.07521	20.2
189.05417	5.0
189.09090	8.7
190.06300	1.4
191.07068	1.8
197.04521	4.3
199.07533	2.2
201.05429	1.9
203.07016	6.7
204.07779	17.9
205.08583	2.1
206.09254	1.2
213.00667	1.4
216.07771	5.5
219.10049	1.2
221.11694	1.8
231.10107	7.5
249.11142	100.0
267.06534	1.8
267.15833	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	267.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	0.6
55.01868	3.3
55.05510	8.4
55.60616	0.6
57.03428	1.0
57.07070	1.6
67.05493	6.0
68.99777	0.8
69.03410	1.7
69.07055	1.5
71.08598	0.8
79.05493	3.3
81.03398	1.4
81.03906	0.7
81.06993	1.0
83.04964	16.7
85.02900	1.0
91.05448	4.9
93.07024	1.0
95.04939	9.3
97.06509	4.0
98.03664	1.4
101.05093	0.7
105.03372	2.9
105.07021	9.3
107.04935	10.5
108.02078	5.2
109.02870	4.8
109.06492	0.9
111.00828	0.8
111.04434	1.7
115.05447	0.7
117.06992	1.5
119.04932	1.7
119.08575	1.3
121.06477	3.6
122.03676	0.9
123.04407	15.9
125.05961	1.0
126.03149	0.8
127.03916	3.6
128.06177	6.0
129.06987	8.7
131.04893	1.1
131.08549	1.1
132.05667	4.9
133.06459	8.5
133.10086	1.7
135.04358	0.8
136.01515	12.5
137.02335	3.1
137.05968	1.4
139.00195	1.4
139.03896	1.1
139.07559	0.9
140.04648	2.7
141.05460	3.6
141.68933	0.7
143.08562	1.0
145.06494	2.8
146.07234	5.4
147.04355	5.7
147.08025	0.8
151.03902	6.0
153.01854	1.5
153.05405	5.9
154.02589	22.8
155.03343	8.7
157.06491	2.6
159.04362	1.0
159.08067	1.2
160.05208	1.3
161.06055	1.0
161.09586	14.4
164.01041	4.6
165.01804	2.9
165.05440	0.8
167.03288	0.9
167.07050	1.4
168.04132	1.4
169.04926	8.4
170.05701	15.5
171.07967	0.9
173.05978	1.3
174.06789	3.2
175.07520	1.7
179.03360	6.5
182.02055	31.6
183.02972	1.0
183.06506	20.8
188.04662	0.8
189.09041	8.5
193.04964	2.9
197.04416	100.0
200.03146	18.0
203.06990	1.3
211.06020	4.3
217.08536	12.6
219.06482	16.0
234.08824	11.3
235.09558	2.7
249.11177	12.6
267.12231	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	267.1224
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
51.57718	1.5
53.37498	1.6
55.05504	2.0
55.55235	1.6
56.96551	1.7
57.03429	2.3
57.05664	1.4
57.07061	18.3
61.87270	1.6
66.94207	1.6
67.05489	3.5
69.03420	4.8
70.51408	1.7
71.08607	10.4
73.25742	1.8
79.05460	2.5
80.17060	1.7
81.07022	4.3
85.10158	2.1
91.05450	12.4
95.04898	2.1
95.08590	3.6
97.02867	3.0
97.06518	3.4
98.97541	3.7
105.03374	7.6
105.07015	8.0
107.04894	3.1
109.06517	2.2
115.05446	9.4
116.98581	2.2
117.01866	2.0
117.06991	2.8
119.08507	2.6
120.08035	1.9
128.06190	13.5
129.06956	25.4
131.04877	2.1
131.08551	32.4
133.06477	3.7
133.10104	4.1
135.08052	2.4
141.06973	14.0
142.07742	7.4
143.08545	8.1
144.05669	12.1
145.06445	11.5
146.07213	4.4
147.08043	2.2
153.01814	3.9
157.06442	12.8
158.07227	3.3
159.08032	37.9
161.05917	3.6
161.09630	4.3
165.06950	2.8
170.07259	10.5
171.08029	12.3
172.05191	3.9
174.06737	2.0
175.07471	4.0
181.01619	2.6
187.07529	22.6
189.05411	2.2
189.09135	12.4
191.07117	2.8
199.07344	2.6
201.05612	2.6
203.07021	10.7
204.07767	19.6
205.08553	2.3
216.07741	7.3
219.10059	4.1
221.11696	2.9
231.10086	11.2
239.07036	3.9
249.11159	100.0
267.15714	9.6
274.20334	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	267.1224
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01847	0.5
55.05483	0.8
56.96555	0.6
57.03423	1.0
57.07053	2.9
67.05482	1.2
69.03397	2.2
69.07033	0.7
71.04966	2.7
71.08607	0.9
72.08133	1.1
79.05470	1.4
81.03413	0.9
81.07021	2.2
85.02866	2.7
85.10181	0.6
91.05459	9.5
92.08676	1.2
93.07001	1.1
95.04912	2.1
95.08563	1.1
97.02860	0.8
97.06501	4.0
98.97536	0.6
99.04498	0.7
103.05458	0.6
105.03358	0.9
105.07000	6.4
107.04893	4.1
107.08575	1.0
109.06462	0.6
109.10130	0.7
115.05473	5.7
116.06207	4.6
117.07014	3.2
119.08532	2.2
121.06503	0.8
128.06194	12.3
129.06975	29.5
131.04889	3.1
131.08533	24.3
132.05704	0.7
133.06451	3.7
133.10063	0.9
137.05969	0.8
137.38689	0.6
141.06972	12.1
142.07779	5.3
143.08524	4.5
144.05695	13.4
145.06465	9.2
146.03561	0.6
146.07256	4.1
147.04340	1.0
147.08051	1.2
153.01759	0.8
153.06943	3.8
153.08084	0.5
155.06000	1.2
156.05684	3.7
157.06451	13.8
158.07213	2.5
159.08015	39.3
160.05179	1.2
161.05945	4.9
161.09566	8.3
167.06973	1.2
169.06351	1.1
169.07629	4.7
170.07239	11.5
171.07970	8.8
171.09171	0.7
172.05110	4.8
173.05992	6.0
174.06721	3.8
175.07489	4.1
177.05438	1.0
185.05992	1.1
187.07498	22.6
188.08269	0.9
189.05473	4.7
189.09065	8.5
190.06186	0.9
191.06970	3.0
193.08540	0.8
198.06764	2.5
199.07506	2.9
201.05388	2.3
203.06996	8.8
204.07794	15.7
205.08502	3.0
206.09383	0.9
216.07765	3.6
218.09441	1.4
219.10085	3.3
221.11658	2.8
231.10069	7.9
234.98933	0.7
237.11299	0.8
249.11154	100.0
267.15689	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	267.1224
Annotation	12-Hydroxypterosin T
Peak:m/z	Relative Intensity
54.55206	0.5
54.62875	0.5
55.01878	0.8
57.03125	0.5
57.07063	4.1
67.05491	1.2
69.03405	0.8
71.08617	1.6
81.07056	1.2
85.02889	0.7
85.10133	0.9
91.05464	11.5
93.07022	0.9
97.02894	0.6
98.97555	0.7
100.08398	1.0
103.05464	1.2
105.03380	1.2
105.07016	4.1
107.04955	3.8
115.05419	7.9
116.06212	3.6
117.07020	5.5
121.06478	1.1
128.06194	13.0
129.06981	32.2
130.07777	1.1
131.04922	3.1
131.08542	26.4
133.06477	6.1
137.28444	0.6
141.06964	13.6
142.07782	5.1
143.08554	3.9
144.05666	15.4
145.06476	9.0
146.07281	4.7
147.04388	1.3
147.08058	0.9
152.06139	0.8
153.05759	0.6
153.07004	3.1
155.04854	1.0
155.06068	2.5
156.05707	3.4
157.06459	12.6
158.07253	3.9
159.08017	38.2
160.05220	1.0
161.05969	3.9
161.09605	9.6
167.07007	0.7
169.06361	1.4
169.07620	4.2
170.07240	10.7
171.08009	7.0
172.05171	3.4
173.05923	5.1
174.06728	3.4
175.07509	4.2
177.05525	0.9
178.06227	2.4
186.06728	1.0
187.07491	23.2
188.08278	1.6
189.05441	3.6
189.09058	8.7
190.06207	1.2
191.07048	1.5
193.08617	0.9
198.06796	3.0
199.07538	2.9
201.05470	1.5
203.07010	9.6
204.07799	15.8
205.08583	2.6
216.07849	2.9
217.08484	0.8
218.09404	1.3
219.10078	5.0
221.11679	1.5
231.10115	7.4
249.11163	100.0
272.29282	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1014
Annotation	Typharin
Peak:m/z	Relative Intensity
53.03921	2.7
55.01862	3.9
55.05495	8.4
56.96563	5.2
57.03427	3.0
57.07073	26.0
65.03928	4.2
67.05501	17.9
69.03404	10.2
69.07054	5.6
71.04964	3.3
71.08611	10.3
79.05470	11.8
79.78963	2.5
81.03395	4.4
81.07032	24.5
83.04954	3.3
85.10176	3.7
91.05462	22.4
91.19864	2.6
92.68704	2.1
93.07004	12.4
95.04937	14.1
95.08574	13.9
97.06494	9.5
98.97550	14.5
103.05444	12.3
105.03340	5.2
105.07022	20.6
107.04942	56.8
107.08576	11.7
109.06486	9.9
109.10133	9.6
111.04412	17.7
111.08086	3.6
115.05434	10.0
116.98589	9.6
117.06992	9.5
119.04887	3.0
119.08556	13.4
121.02843	74.4
121.03831	6.0
121.06483	49.4
129.06978	3.8
130.04112	3.0
131.04904	100.0
133.06509	7.6
133.10118	9.3
134.99614	3.5
135.04346	5.3
143.04938	2.5
143.08505	3.5
144.05678	5.4
145.06467	51.4
147.11655	5.7
150.05295	2.3
157.10046	3.4
159.04396	5.3
161.05980	3.2
161.09680	2.6
165.06949	4.1
174.06740	2.7
177.00760	3.5
178.07712	12.4
179.08531	11.2
181.06450	10.9
189.05159	2.1
189.06940	10.7
193.12277	2.7
195.08060	5.1
196.08852	13.1
205.06496	4.5
206.07266	15.4
207.08018	23.1
208.08754	5.5
211.11223	5.1
218.07263	10.5
223.07410	2.8
224.08252	20.0
234.06676	19.8
235.07478	14.5
236.08284	9.9
239.10611	48.5
249.09096	3.4
252.07756	15.1
267.10086	93.4
267.15775	5.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.1012
Annotation	Typharin
Peak:m/z	Relative Intensity
52.32500	0.6
53.03918	0.9
55.01854	3.3
55.05503	0.8
57.03422	0.8
57.07074	5.3
57.07288	0.5
63.00788	0.5
65.03924	5.4
67.05480	1.2
69.03391	1.0
69.07044	1.1
69.38805	0.6
70.36620	0.6
71.08598	2.8
79.05470	3.6
81.03393	4.9
81.07013	1.5
85.02885	1.2
85.10145	0.9
85.22602	0.7
86.95228	0.6
91.05452	12.1
93.06992	1.3
95.04954	6.1
95.08588	0.7
102.04650	0.7
103.05436	8.0
105.03357	1.4
105.06992	5.6
105.52281	0.6
107.04937	49.9
109.06509	1.1
111.04419	16.2
115.05424	13.3
115.13358	0.7
116.06174	1.4
117.06973	3.1
119.04896	3.7
121.02840	78.7
121.03904	5.3
121.06478	42.9
123.04394	0.8
125.05939	1.1
129.06929	0.8
130.04106	4.3
131.04898	98.5
133.06462	12.2
135.04388	7.8
137.05978	1.4
143.04904	2.5
144.05669	12.9
145.06458	54.6
146.07246	1.3
149.05965	1.6
153.06979	1.4
157.06419	1.2
158.07237	0.9
159.04387	7.3
161.05911	2.6
163.64546	0.7
165.06911	3.8
167.08476	1.4
168.05655	1.4
168.09441	0.9
171.07988	0.9
173.05904	3.9
174.06740	5.7
177.06960	1.2
178.07748	12.6
179.08498	14.8
181.06425	13.5
183.08112	1.0
189.06902	6.9
190.07738	2.8
191.08482	1.6
194.07234	2.7
195.08035	6.4
196.08809	11.4
202.07809	0.9
205.06453	7.8
206.07208	16.3
207.08009	21.6
208.08774	10.9
209.05974	6.3
209.09572	1.0
210.06712	2.7
211.07515	1.1
211.11136	6.3
218.07207	13.0
219.08041	2.6
221.06010	0.8
221.09544	5.5
223.07552	6.8
224.08267	25.9
233.05850	0.8
234.06714	16.9
235.07494	11.4
236.08278	8.0
237.05447	1.4
237.09019	1.0
239.10620	50.8
248.08163	1.0
249.09070	5.3
251.06885	6.3
252.07738	11.7
265.08569	0.8
267.10086	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	267.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
50.01934	0.1
52.03919	0.1
53.00303	0.1
53.03944	0.1
55.05505	0.2
57.03407	0.2
57.07075	1.3
58.07418	0.1
58.71235	0.1
59.54291	0.1
65.03924	2.2
65.34740	0.1
66.66812	0.1
67.05485	0.7
69.07057	0.3
71.04961	0.2
71.08603	0.5
75.76559	0.1
79.05444	0.1
81.03394	0.3
81.07031	0.6
83.04960	1.2
85.02876	0.2
85.10170	0.2
95.04925	0.2
95.08595	0.2
105.03388	0.7
105.07005	0.5
107.08601	0.2
109.10163	0.2
111.04429	5.1
114.37610	0.1
119.08609	0.2
121.02848	100.0
122.03191	0.2
131.08553	0.2
134.99612	0.1
157.10043	0.1
159.07993	0.2
161.09641	0.1
249.07504	4.7
249.11281	0.2
257.00494	0.1
267.15704	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	266.1019
Annotation	Unknow
Peak:m/z	Relative Intensity
50.61173	0.5
57.07051	0.7
59.04967	0.6
60.04514	12.2
61.92499	0.5
70.02934	4.3
88.03172	0.8
88.03972	69.1
91.05457	100.0
91.33277	0.5
92.09277	1.1
102.05517	82.1
102.26300	0.5
106.77926	0.6
146.05998	1.1
148.06021	29.1
157.98396	0.6
158.94868	0.6
166.70267	0.6
181.01489	0.7
183.25700	0.6
203.94307	0.7
216.48140	0.6
220.09647	4.1
222.60939	0.6
234.07619	0.9
248.09222	1.2
266.10165	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	266.123
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	6.6
55.05717	0.6
57.03425	3.0
57.07063	0.8
60.91977	0.7
61.20165	0.7
63.93821	0.7
65.03851	0.6
69.03385	0.7
71.04956	1.6
71.08622	2.7
78.70374	0.7
79.05441	1.3
81.07031	19.9
83.04950	1.9
83.08613	1.2
85.06506	1.2
87.00804	100.0
99.08061	5.4
105.01839	41.4
107.26065	0.8
109.06496	14.0
117.09103	2.9
117.30262	0.8
127.07513	16.5
127.08372	1.5
136.99002	0.8
145.08566	6.1
203.09091	1.5
231.08572	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.5516
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05492	44.7
56.96555	70.0
57.03418	16.4
57.07064	98.2
66.29632	8.8
67.05099	8.9
67.05480	10.8
69.07058	9.9
71.04978	80.8
71.08612	52.6
79.05484	14.9
81.07050	34.9
83.04964	100.0
83.08592	14.2
85.02873	83.0
85.10151	31.9
95.08585	36.9
98.97534	10.7
105.07001	11.9
107.08573	16.7
111.04416	14.4
116.98556	9.5
129.05435	9.9
135.08044	15.4
167.01717	10.9
265.13971	12.6
287.05463	94.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1432
Annotation	2-trans-abscisic acid
Peak:m/z	Relative Intensity
53.55622	5.5
55.01847	5.8
55.05492	25.6
56.96549	29.5
57.03416	10.0
57.07060	7.6
60.23610	5.7
67.05485	44.3
69.03407	32.3
69.07047	16.7
71.04974	7.4
79.05466	33.3
81.07012	47.3
83.04960	55.5
83.08584	8.5
83.77090	7.3
85.02851	7.5
91.05450	38.4
92.08636	13.6
92.89804	7.3
93.07010	55.3
95.04942	16.5
95.08578	60.7
97.06506	9.1
98.97581	10.0
103.03903	9.6
105.07014	41.8
107.08555	49.7
109.06510	71.4
109.10120	25.4
111.04420	7.7
116.98604	10.8
117.07001	30.3
119.08502	47.5
121.06496	28.7
121.10103	45.3
123.08050	10.0
125.09614	35.7
129.06998	8.0
131.08545	14.7
133.10103	12.0
135.08078	58.0
135.11681	31.6
137.13208	7.4
145.06480	25.7
145.10112	41.6
147.07959	7.9
147.11681	11.4
149.05922	23.1
149.08545	6.8
149.09549	63.3
152.10663	9.5
155.07112	11.0
158.10829	12.2
159.11624	52.6
159.90001	7.9
161.09625	9.9
163.07472	11.8
163.11121	74.6
173.06003	10.8
173.09619	7.0
173.13226	43.7
177.00624	8.6
177.12927	9.2
181.08624	13.9
187.11143	100.0
189.12740	6.4
201.12706	37.9
203.14375	7.3
205.12178	59.6
229.12199	42.8
247.13234	35.1
265.10327	8.0
265.14230	55.5
287.05478	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	265.1431
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
50.44875	1.7
52.89012	1.5
53.03933	8.3
53.54868	1.7
55.01864	2.3
55.05505	9.0
56.96570	2.5
57.07063	3.6
57.17249	1.6
65.03913	4.2
65.05234	1.5
67.05485	12.7
68.99778	2.7
69.03416	26.6
69.07066	2.5
75.59982	1.7
79.05473	19.4
81.07043	11.2
83.04963	44.0
91.05458	33.3
93.03392	2.4
93.07016	39.1
95.04945	14.9
95.08603	3.3
97.02863	4.6
97.06503	3.5
98.97552	1.7
102.97074	1.8
103.05447	2.0
105.07009	26.3
107.04939	2.3
107.08568	54.1
107.21233	2.1
109.02844	21.0
109.06489	18.2
109.10149	3.2
111.04446	10.6
111.08037	2.1
115.05438	7.4
117.07013	18.8
119.08555	37.4
121.02855	2.6
121.06474	57.3
121.10129	10.2
123.08023	11.7
129.06970	8.7
130.07751	3.0
131.08560	28.8
133.06505	2.5
133.10063	15.4
134.39272	1.7
135.08028	100.0
135.11639	4.0
137.05907	2.5
137.09599	3.7
142.07887	1.8
143.08522	22.5
144.09322	15.8
145.06474	12.9
145.10077	20.6
147.08052	2.7
149.05984	4.6
149.09552	25.5
151.07472	2.6
153.09135	2.0
154.07690	1.8
155.08563	2.5
157.10114	7.1
158.10892	23.6
159.08049	12.2
159.11650	38.0
160.08813	2.7
161.09622	2.4
163.07506	30.1
163.11148	3.9
165.08997	2.9
168.09366	3.9
170.10872	8.0
171.08017	11.5
172.08765	16.4
173.05937	2.4
173.09587	27.4
173.13202	59.8
177.12776	3.1
183.11603	7.0
186.10370	35.0
187.11150	90.4
189.09038	2.4
191.07024	16.0
196.08858	4.6
201.12720	48.2
205.10574	2.5
205.12241	13.2
211.11145	8.4
219.13773	8.5
229.12202	46.7
243.36156	2.1
247.13240	41.3
265.14011	2.6
287.05463	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	265.1432
Annotation	[3aR-(3aalpha,6alpha,8abeta,9aalpha)]-3a,4,6,7,8,8a,9,9a-Octahydro-6-hydroxy-5-(hydroxymethyl)-8a-methyl-3-methylenenaphtho[2,3-b]furan-2(3H)-one
Peak:m/z	Relative Intensity
54.52982	4.1
55.05500	9.3
63.14857	3.9
65.03920	4.8
67.05480	23.3
68.74906	4.3
69.03410	34.5
69.07050	6.5
69.56393	4.0
73.19717	3.7
76.56688	4.0
79.05470	8.8
81.07023	18.7
83.04969	7.1
91.05444	50.4
93.07050	39.0
95.04969	44.5
95.08584	21.6
99.55148	4.0
105.07014	75.6
107.08583	20.0
109.06491	25.9
111.04423	20.0
111.08056	5.5
113.06001	6.0
113.33670	5.4
115.05417	5.4
117.06969	19.4
119.08547	100.0
120.00671	4.6
120.85653	4.7
121.06467	51.3
123.08031	30.4
129.06976	22.5
131.08536	40.9
133.06483	7.0
133.10094	20.3
135.08047	62.0
137.09602	5.7
143.08519	7.6
144.09328	7.3
145.06500	10.5
145.10127	21.8
147.08081	33.2
147.11653	6.8
149.09631	5.5
153.06956	5.9
155.08582	8.3
156.09363	7.5
157.06404	5.8
157.10110	19.1
158.07233	9.8
159.08020	32.3
159.11594	42.8
161.09596	22.0
165.09128	17.9
168.09276	5.6
172.08809	19.7
173.09547	9.2
173.13242	14.9
175.07544	53.3
175.11153	32.0
183.11673	5.4
185.09621	7.2
187.11140	23.9
189.09068	6.0
193.08548	8.5
196.08798	8.3
199.11122	11.2
201.12704	10.0
203.10632	21.0
211.11102	9.6
217.12411	8.1
229.12129	18.4
237.01021	5.0
247.13159	34.8
265.14301	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	265.1068
Annotation	Unknow
Peak:m/z	Relative Intensity
51.24320	1.0
54.81825	1.2
55.05501	8.1
56.96554	5.7
57.03416	1.2
67.05492	8.5
69.03432	1.7
69.07049	9.5
71.04984	1.9
79.05479	8.3
81.03422	1.7
81.07047	20.3
82.94907	1.2
83.04976	2.8
83.08599	1.6
85.06520	1.8
86.63612	1.5
87.15714	1.2
91.05472	9.1
93.07029	11.4
95.04954	2.4
95.08577	13.9
97.06503	1.4
97.10175	1.8
98.97554	2.7
102.04561	1.5
103.05457	7.6
105.07014	8.4
107.04925	3.3
107.08585	11.7
109.06497	2.0
109.10139	10.6
111.29099	1.4
115.05431	38.1
116.98620	1.8
117.06991	50.3
119.08568	8.0
121.10128	3.5
123.08015	1.7
123.11671	2.9
128.06209	5.5
129.06996	3.1
131.04883	2.8
131.08559	2.8
137.13214	1.6
144.05704	2.3
144.98055	1.7
145.06465	100.0
145.10062	1.8
147.04362	1.9
147.08060	2.0
149.06035	1.7
155.06009	12.9
156.05681	28.6
157.06433	5.9
159.07997	5.8
160.05174	2.0
161.05992	6.8
167.06998	3.5
170.06981	1.7
172.05115	1.7
173.05943	73.1
173.13199	1.8
175.03819	2.7
175.07573	2.1
177.09122	2.6
184.05067	1.6
187.07663	2.3
190.06212	41.8
201.16258	1.7
202.06235	7.7
203.06975	8.4
205.08563	47.4
217.08562	44.4
235.09503	3.2
247.13211	1.7
265.10760	2.0
265.13940	2.1
265.25119	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.2003
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
51.44117	3.1
53.03934	3.0
53.11345	2.7
55.05487	17.3
63.28294	3.1
67.05500	23.5
69.07043	19.3
71.04958	5.9
74.36830	2.9
79.05481	35.6
81.07034	87.2
83.04956	4.6
83.08600	4.9
85.06528	33.2
91.05466	27.1
92.08587	10.7
93.07016	73.2
95.04945	6.2
95.08572	52.2
97.06475	4.7
104.99268	13.7
105.07014	60.4
107.08575	100.0
108.30164	3.0
109.06474	5.4
109.10141	25.6
110.13333	3.0
110.69282	2.9
111.08065	5.1
113.05991	3.7
117.06968	3.4
119.08559	39.7
121.10121	44.1
123.11649	4.6
131.08513	15.7
133.10129	22.7
135.11649	15.1
143.08562	5.3
144.85173	3.5
145.10104	38.1
147.11676	42.4
149.13220	45.9
157.10048	14.5
159.11678	21.0
161.13182	12.9
163.11104	4.2
171.11613	17.5
173.13245	4.1
185.13173	13.1
187.14870	3.6
201.16400	7.2
217.19359	4.2
227.17949	27.4
245.18806	27.0
263.20029	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	263.2003
Annotation	(Z)-alpha-trans-Bergamotol acetate
Peak:m/z	Relative Intensity
54.81474	3.3
55.05493	18.1
57.07052	3.5
59.04974	4.2
65.81740	3.0
67.05177	3.4
67.05493	30.8
69.07046	7.8
71.04964	7.2
79.05460	27.4
79.90766	3.4
81.07036	68.7
83.04985	4.0
85.06528	29.2
91.05455	27.5
93.07017	100.0
95.04920	5.5
95.08595	78.2
97.06510	5.2
104.99256	38.3
105.07004	86.6
107.08566	64.1
109.06492	8.2
109.10127	25.2
111.08086	4.0
113.09622	27.2
117.07026	4.6
119.08545	55.0
121.10122	42.5
123.08018	6.3
123.11700	5.8
127.07595	5.7
130.07733	4.7
131.08513	24.7
133.10088	20.6
135.11632	6.6
135.96141	3.8
137.09590	7.9
143.08572	7.2
145.10112	55.2
147.11649	47.8
149.13194	25.9
157.10074	17.1
159.11705	16.0
161.13239	16.3
171.11620	14.9
185.13147	8.2
187.14766	34.9
198.98770	6.4
201.16406	5.3
217.15631	3.7
227.17958	19.8
232.68712	3.5
245.18912	19.7
263.17169	3.4
263.20013	32.9
263.25787	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	263.1638
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
55.05507	3.6
57.07038	3.9
57.77948	2.5
60.58840	2.9
67.05490	12.8
69.03431	3.2
79.05470	7.0
81.07032	22.1
83.04969	7.3
91.05457	16.1
93.07033	11.6
95.04930	5.1
95.08559	4.9
97.06548	3.3
98.97546	3.0
104.99258	12.6
105.07010	24.1
107.04948	3.2
107.08575	13.6
111.04462	4.3
119.08571	33.8
121.06506	4.7
121.10088	3.8
128.06183	3.5
133.10123	21.2
135.08028	16.9
143.08551	12.6
145.06494	4.5
145.10068	3.2
147.08055	24.7
147.11714	3.7
157.10138	5.7
159.11679	5.9
161.09581	21.5
163.07544	5.1
189.09117	5.9
203.14279	10.8
207.10152	7.5
229.08578	3.4
263.16357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.1638
Annotation	4,5,6,9,10,10a-Hexahydro-10a-methoxy-6,7,8-trimethyl-6,10-methano-2H-cyclonona[b]furan-2-one
Peak:m/z	Relative Intensity
53.00318	1.0
53.03933	1.0
54.40611	1.0
55.01852	1.7
55.05491	5.0
56.05025	5.3
57.07059	5.9
58.06577	1.7
59.04984	1.6
67.05490	1.8
69.03410	2.3
71.04974	1.3
74.06068	2.6
79.05461	6.1
79.33150	1.1
81.07038	10.4
83.04975	10.3
85.06519	2.5
86.25613	0.9
88.07629	12.3
89.07944	1.5
91.05455	12.3
93.07031	8.0
95.04964	9.5
95.08562	5.1
97.06496	5.3
100.57925	1.2
105.07008	20.4
107.08594	11.6
109.06506	5.9
109.10120	4.0
111.04404	2.1
117.06989	5.6
118.08577	1.6
119.08562	26.8
121.06482	7.0
121.10133	2.2
122.08105	1.4
123.08030	1.1
125.05974	1.9
128.06224	2.0
129.06958	1.7
131.08510	2.1
133.10101	17.5
135.08049	15.7
137.09608	2.2
143.08549	7.6
145.06480	5.7
145.10147	2.4
146.07253	2.3
147.08023	19.8
149.09592	2.6
157.10107	6.9
159.07968	1.8
159.11667	7.1
161.09549	21.6
163.07526	6.7
171.07930	1.0
171.11508	1.5
175.14804	1.2
177.09183	1.4
179.10672	2.2
185.13242	4.6
189.09088	10.9
203.14256	5.4
207.10110	10.0
208.71692	1.2
214.21576	8.2
215.22046	9.7
245.15265	7.6
248.79857	1.2
262.23685	7.5
263.16370	100.0
263.23969	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	263.1275
Annotation	Unknow
Peak:m/z	Relative Intensity
50.34601	0.4
52.65382	0.4
53.03913	0.5
53.74870	0.5
53.84255	0.4
55.05497	1.0
56.90685	0.4
57.03419	0.7
58.83774	0.4
61.02908	0.5
66.40155	0.4
67.05494	3.4
69.03407	2.5
71.04967	0.6
73.27742	0.5
79.05459	0.7
81.03424	0.9
81.07037	2.6
83.04951	0.5
84.04487	0.5
85.02883	5.0
91.05449	3.0
93.07030	2.2
95.04945	1.1
95.08576	16.8
97.02869	2.3
97.06506	3.1
98.97555	1.1
105.07001	3.6
107.08559	1.0
109.02903	0.6
109.06445	0.6
115.05415	0.7
117.06991	0.9
119.08593	3.4
121.06481	2.0
123.08043	100.0
127.03929	0.7
128.06184	0.5
129.06969	0.8
131.08508	2.0
131.81059	0.5
133.10127	0.7
135.08063	1.0
137.05992	0.7
139.07561	0.6
142.07745	1.8
143.08511	0.6
147.08064	2.7
156.09285	0.7
157.10100	0.6
159.08075	1.1
159.11642	0.7
161.09575	0.8
165.09077	39.0
171.11658	0.6
175.11134	0.8
184.08850	0.6
187.07393	0.7
187.11099	0.5
198.88066	0.5
199.11177	2.7
205.08588	0.8
227.10683	0.5
233.11861	0.9
263.12579	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	263.0612
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81068	0.5
56.96545	3.4
58.99843	0.6
81.03387	0.5
82.99809	1.1
85.02882	0.7
87.22124	0.5
88.78331	0.5
95.55997	0.4
97.02892	0.7
98.97547	2.1
100.99102	0.6
101.00854	17.8
101.85428	0.4
105.00327	0.6
112.99094	1.0
113.00868	3.9
116.98587	0.8
119.01893	53.8
121.75964	0.5
131.00150	2.2
131.01874	17.6
133.03436	2.2
137.02928	10.0
143.01880	29.3
145.03458	3.1
147.05006	0.7
149.01155	0.8
149.02934	3.9
149.76440	0.6
152.11534	0.4
155.01863	5.4
156.97449	11.8
157.03448	3.9
161.02922	100.0
173.02924	13.7
174.98508	12.7
175.04456	3.1
179.03983	3.2
184.04602	0.7
185.02907	5.4
191.03996	10.4
194.48033	0.5
197.02879	0.7
198.98528	3.0
203.03958	12.6
208.99542	0.7
216.99530	8.0
221.04994	3.8
233.05139	0.7
239.00720	0.7
239.06276	0.6
245.05029	0.8
245.50923	0.5
263.06192	14.0
276.20193	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2373
Annotation	2-amino-1,3,4-tetradecanetriol
Peak:m/z	Relative Intensity
55.05492	1.5
56.04766	0.6
56.05026	15.2
57.06810	0.7
57.07063	12.5
57.56844	0.3
58.06589	8.2
59.45454	0.3
60.04507	3.2
61.60432	0.4
69.07032	0.4
71.08608	3.2
73.74475	0.4
74.06060	13.7
85.10159	2.2
86.06033	1.7
88.07609	63.0
89.81634	0.4
90.05537	0.6
104.07077	1.0
107.75088	0.4
118.08633	10.1
122.08118	8.2
139.96077	0.5
214.21622	72.2
244.22592	2.8
262.23706	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.1647
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03933	1.1
55.01860	13.5
55.05497	5.4
56.20229	1.1
56.96539	2.0
57.03411	1.1
59.29178	1.1
64.87153	1.2
65.03924	1.4
67.05482	25.2
68.01549	1.2
69.07045	3.0
71.04958	3.0
74.80022	1.4
79.05451	13.7
81.03381	2.3
81.07031	20.4
83.04961	33.3
83.08605	10.8
85.02876	3.1
85.06528	2.4
87.04442	5.9
87.97460	1.2
91.05457	7.5
93.07019	19.3
93.09200	1.1
95.04935	6.6
95.08548	9.4
97.06505	7.5
97.10154	1.3
98.97596	1.5
99.04446	2.0
99.08099	1.5
105.07002	5.4
107.04909	5.3
107.08569	18.4
109.06478	1.8
109.10121	13.6
111.04421	83.5
111.08056	28.2
116.98566	1.4
117.06949	4.5
119.08540	8.1
121.06433	1.5
121.10124	16.2
129.06969	2.0
131.08511	8.3
133.10103	1.6
135.08000	1.8
135.11665	17.4
137.05981	1.6
145.10088	16.2
147.11671	5.2
149.09581	9.7
153.12709	28.5
155.08482	3.1
163.11134	44.7
169.08611	2.7
172.86760	1.2
173.09567	8.5
176.14330	9.2
181.12190	45.2
191.10611	45.7
195.10037	1.9
209.11626	11.8
227.12729	100.0
245.13866	1.5
257.90726	1.5
262.17932	8.0
262.23914	2.0
276.86093	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	262.2009
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81672	1.1
55.05502	38.6
57.03425	2.2
57.07059	1.8
59.04988	1.9
63.14664	0.9
67.05484	7.2
69.03411	2.4
69.07053	9.5
70.06592	1.3
71.04965	5.1
72.08113	1.4
79.05474	7.5
79.52927	0.9
81.04505	0.9
81.07039	18.4
83.04961	20.4
83.08609	35.9
83.09091	1.6
85.06543	2.4
91.05466	7.1
92.63973	1.1
93.07032	16.9
95.04948	20.5
95.08588	12.1
96.05725	1.0
97.06495	15.7
97.10174	2.5
98.97562	1.7
99.04440	4.3
99.08083	4.5
105.07008	16.2
107.08577	27.1
109.06508	30.7
109.07256	1.3
109.10143	21.8
111.08056	11.2
115.07595	1.9
119.08557	6.5
121.06565	1.2
121.10123	31.3
123.08076	1.2
123.11690	9.8
125.09618	8.2
131.08563	11.9
133.10107	46.6
135.08031	5.6
135.11697	2.6
139.11148	1.2
145.10095	6.3
147.11664	10.8
147.40282	1.1
149.09685	1.1
149.13226	8.7
151.11180	30.9
153.09116	8.7
158.10875	1.5
163.14803	5.9
167.14281	35.5
167.15576	2.2
173.13220	17.9
191.14253	13.8
209.15340	100.0
220.31192	1.3
227.16409	7.3
271.36862	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.2212
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
52.18889	4.5
55.05510	9.8
61.74139	3.8
67.05490	26.0
69.07056	25.8
71.04974	10.3
79.05477	22.4
81.07043	31.3
83.08619	5.2
91.05457	24.9
93.07022	100.0
95.08569	35.7
105.07021	77.6
107.08570	74.9
109.10114	32.9
119.08558	84.4
119.86305	4.3
121.10116	76.7
123.08085	8.5
123.11716	5.1
131.08488	15.8
133.10110	28.7
135.11661	31.5
139.50443	4.0
140.38802	4.6
145.10124	27.5
147.11644	31.4
151.11197	6.3
156.21205	5.0
159.11684	29.6
161.13200	66.4
173.13266	8.7
179.14279	27.1
185.13188	5.2
187.14778	22.9
201.16365	6.8
203.17938	27.2
205.16019	7.6
243.21074	39.1
254.64020	5.9
261.22180	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.00297	1.6
55.05499	21.4
55.87602	1.0
57.07069	1.5
61.59023	1.1
67.05492	17.9
69.07053	100.0
71.04974	7.0
72.27547	1.2
79.05480	18.5
81.07036	55.7
83.08604	6.6
85.06525	3.0
91.05453	16.4
92.09347	2.7
93.07028	51.5
95.04958	2.0
95.08588	32.7
97.10149	5.4
99.08054	6.9
105.07012	44.6
106.45480	1.3
107.08575	49.4
109.06499	2.1
109.10143	27.1
109.49487	1.4
113.09620	1.8
117.07006	6.2
119.08561	36.0
121.10125	41.0
123.11717	3.4
131.08534	14.6
133.10091	24.2
135.11681	32.4
143.08534	2.5
145.10109	22.1
147.11664	30.1
149.13275	6.3
157.10114	2.0
159.11636	18.2
160.12456	2.2
161.13239	20.0
161.56691	1.8
172.12527	1.7
173.13220	16.3
185.13190	1.7
187.14778	16.8
191.17863	2.4
201.16336	8.6
203.17950	22.6
243.21001	24.5
261.22046	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	261.2209
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03933	4.3
55.05499	17.6
57.03425	2.4
57.07056	3.9
66.73068	2.5
67.05495	50.5
69.07046	15.1
70.45411	2.8
71.04978	2.9
79.05476	78.7
81.07037	74.3
83.08586	6.7
85.06520	3.9
91.05461	43.7
93.07018	94.8
93.07562	4.0
95.04947	5.1
95.08589	57.7
105.06992	27.7
107.08578	67.7
109.06532	3.6
109.10131	26.5
111.08058	4.8
117.07018	11.4
119.08559	27.8
121.10104	54.4
123.11774	3.0
126.81909	3.1
129.07140	2.5
130.49249	3.7
131.08546	18.4
133.10120	23.9
135.11670	36.7
143.08495	2.7
145.10115	25.3
147.11668	19.1
149.13228	31.2
159.11688	16.5
161.13263	17.9
163.14783	36.0
173.13214	14.8
175.14882	3.1
177.16333	5.8
187.14755	3.9
201.16342	3.9
218.40996	3.1
243.21034	38.7
259.04559	2.8
261.22064	100.0
262.84518	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	261.221
Annotation	Dinortrixagone
Peak:m/z	Relative Intensity
53.03912	2.3
55.05498	16.3
57.03411	1.5
57.07063	5.6
67.05490	50.3
69.07056	20.8
71.04953	2.9
73.03371	1.3
79.05473	66.1
81.07035	65.3
83.04981	1.8
83.08588	12.1
85.06522	6.3
91.04962	2.1
91.05466	35.0
91.06040	2.3
91.06230	1.2
92.09229	2.0
93.07021	95.5
95.04924	7.6
95.08588	46.4
97.06498	2.6
97.10152	2.4
99.08057	3.4
105.07011	22.2
107.07871	2.3
107.08576	58.8
109.06464	2.7
109.10126	13.9
111.08052	3.2
117.06966	3.8
119.08543	23.5
121.10112	46.9
123.11683	3.4
131.08546	21.9
133.10100	14.9
135.11682	35.0
145.10126	23.0
147.11693	15.1
149.02303	1.5
149.13231	28.4
159.11687	11.5
161.13264	16.3
163.14775	22.0
165.12758	1.6
173.13243	10.2
175.14778	6.4
177.16376	7.0
179.14253	2.1
187.14783	6.6
201.16371	3.1
243.21036	36.1
254.82581	1.5
261.22064	100.0
263.23083	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1846
Annotation	(-)-Tochuinyl acetate
Peak:m/z	Relative Intensity
55.05505	28.4
57.07060	2.7
59.04988	3.4
67.05482	8.9
69.07044	10.2
71.04967	3.0
79.05482	14.0
81.07049	40.7
83.04973	3.0
85.06528	4.1
88.26736	1.8
89.96577	1.9
91.05463	21.3
93.07024	37.5
95.04923	2.0
95.08587	15.1
99.04426	8.7
101.05965	1.9
105.07014	100.0
107.08584	29.9
109.10120	7.3
117.07004	9.8
119.08562	95.4
121.10120	40.2
130.07759	2.6
131.08533	13.1
133.10089	18.0
133.63734	2.4
135.08018	3.5
143.08566	8.4
145.10100	43.3
147.10603	3.6
147.11681	67.8
148.95914	1.9
157.10115	3.5
159.11681	23.1
161.13260	9.0
169.10051	9.0
171.11664	4.3
173.13246	3.8
175.11334	1.9
183.11649	3.5
197.13191	2.1
199.14816	2.6
201.16379	13.2
205.12262	2.5
225.16315	9.9
243.17429	10.4
261.18436	60.4
262.14233	4.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00303	0.5
53.03946	4.6
54.81450	0.6
55.01852	0.8
55.05503	66.4
56.96550	0.7
57.03429	6.5
61.02906	3.0
69.03413	6.0
69.07046	8.2
71.04980	4.9
71.08611	0.7
73.02886	3.7
79.05470	17.5
81.03401	4.4
81.07036	100.0
83.08609	7.2
85.02888	24.3
91.03952	0.6
97.02882	5.9
98.97572	2.9
98.98437	0.7
99.04450	2.8
99.08076	15.4
100.99134	0.6
104.25104	0.6
109.02872	0.7
116.74704	0.7
116.98581	0.9
127.03890	4.4
133.04918	1.1
145.04924	2.6
169.63399	0.8
178.95093	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0756
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
55.05505	2.5
55.33218	1.4
56.96546	3.1
59.02806	1.4
69.07047	3.0
81.07036	7.5
87.02165	1.5
91.05465	3.0
93.07009	2.2
95.08569	8.6
98.97557	19.0
105.07051	5.9
107.08548	2.7
109.06491	2.1
109.10134	2.5
114.56464	1.5
116.98598	9.7
119.08547	2.9
121.06451	3.7
133.10114	2.5
134.99666	6.6
135.04375	10.0
144.05646	3.1
145.06482	2.5
147.04381	22.7
147.11629	3.8
149.02370	2.0
151.03857	3.0
158.99745	2.1
159.01389	1.6
159.08044	3.1
160.05190	2.4
161.05959	2.6
162.06734	42.2
165.04370	1.5
165.05490	19.5
173.05920	6.6
175.03845	3.1
175.07477	4.0
177.00717	6.2
190.06200	25.9
200.04590	2.4
203.03227	2.9
205.08606	9.2
215.07159	1.7
218.05722	37.3
233.08031	6.6
246.05202	25.3
261.07526	100.0
264.06226	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	4.8
55.01861	0.7
55.05504	71.2
57.03431	7.6
61.02906	2.9
67.05496	0.7
69.03404	4.5
69.07058	8.7
69.25448	0.8
71.04963	2.8
73.02893	4.6
79.05471	18.0
81.03395	1.3
81.07039	100.0
83.08606	8.0
85.02886	24.7
95.01382	0.7
97.02865	5.8
98.97555	2.8
98.98437	1.2
99.08065	18.5
103.03913	0.6
107.53118	0.8
109.02847	1.0
115.03889	0.8
116.98576	3.0
125.02338	0.8
127.03891	3.3
133.04938	1.6
145.04933	2.9
151.03867	0.8
271.72797	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0755
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
55.05500	1.0
59.34996	0.5
63.72621	0.6
67.01858	0.6
67.05490	1.1
69.03426	0.7
69.07037	1.1
70.06472	0.5
81.07027	2.4
86.53829	0.6
88.10407	0.6
91.05450	4.5
92.09382	2.2
93.07007	2.6
95.08566	1.5
98.97556	3.2
105.03402	0.7
105.07001	2.5
107.04941	1.4
107.08557	0.9
109.06481	2.4
115.05449	1.1
116.06178	0.8
116.98602	2.4
117.06981	3.6
117.39165	0.6
119.04932	0.9
119.08524	1.0
121.06445	6.1
121.10080	0.6
122.03615	1.3
128.06178	1.4
129.07025	0.8
129.49655	0.7
130.04060	0.8
131.08543	1.0
132.05707	1.3
133.06512	0.9
133.10081	0.8
135.04401	11.6
135.08037	0.8
137.05954	1.1
144.05704	4.9
145.06474	3.5
145.10065	0.9
146.07269	0.8
147.04399	26.7
147.08011	1.2
148.05205	0.8
149.09604	0.9
151.03844	6.6
155.07100	0.9
158.99715	0.9
159.04430	0.8
159.08063	4.3
160.05194	1.5
161.05948	2.6
161.13173	0.6
162.06725	43.0
165.05449	18.7
168.04129	1.2
172.05176	2.3
173.05952	6.2
174.06786	1.4
175.03873	4.7
175.07454	4.9
177.00673	1.1
177.05328	1.3
177.09126	3.2
187.03860	0.8
187.07477	1.2
189.05473	1.2
190.06226	26.0
200.04637	1.0
201.05382	1.5
202.06212	0.7
203.03394	5.0
203.07097	2.3
204.07872	0.8
205.04820	0.9
205.08580	10.6
215.07037	2.6
217.04955	1.2
218.05716	34.3
233.08119	5.6
245.04193	0.7
246.05196	30.0
249.07533	3.1
261.07523	100.0
264.06155	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	261.0755
Annotation	3,3',4,5,5'-Pentahydroxystilbene
Peak:m/z	Relative Intensity
52.44094	0.5
55.05495	2.3
65.03915	0.8
65.82400	0.5
67.05484	2.6
69.03396	0.5
69.07049	1.1
79.05452	2.5
80.54651	0.5
81.07016	3.9
83.04942	0.6
85.06528	0.6
91.05448	6.4
93.07020	4.3
95.04943	1.4
95.08589	4.9
98.97572	0.9
99.25065	0.7
105.07014	6.9
107.04924	1.1
107.08572	2.6
109.06479	3.2
109.10139	2.6
111.08068	0.8
115.05424	2.9
116.06237	1.2
117.06994	1.4
119.04913	0.7
119.08531	5.4
121.06463	5.6
121.10101	2.8
122.03532	0.7
123.08038	0.9
125.05959	1.1
128.06192	1.1
129.07001	2.7
131.08504	3.3
132.05637	0.9
133.10036	1.0
135.04395	8.5
135.08020	1.2
143.08621	0.6
144.05685	4.0
145.06470	4.3
145.10149	4.5
146.07289	0.9
147.04381	23.9
147.08043	2.3
147.11681	2.4
149.09615	1.2
151.03889	6.7
151.07509	0.9
155.07010	1.3
157.10115	0.9
159.08047	2.9
159.11678	0.9
160.05171	2.9
160.99254	0.6
161.05920	3.0
161.13235	1.2
162.06714	40.9
163.07535	0.9
165.05429	14.2
168.04144	1.4
169.10101	1.0
172.05147	1.4
173.05954	6.2
173.13301	0.7
174.06757	2.3
175.03893	4.3
175.07489	4.9
177.05484	0.9
177.09132	1.0
179.14281	0.9
185.13170	1.3
187.07475	1.2
187.14755	1.0
189.05325	1.1
190.06180	24.5
200.04713	1.2
201.05409	1.3
201.16252	1.1
203.03378	4.3
203.06805	0.9
203.18002	0.9
204.07700	0.8
205.04797	0.7
205.08542	9.3
215.07042	1.3
217.04910	1.1
218.05690	32.8
233.08028	4.2
246.05168	25.3
249.07500	1.5
261.07498	100.0
261.18347	0.9
261.21936	2.3
264.06192	2.7
276.32095	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	261.0367
Annotation	D-Myoinositol 4-phosphate
Peak:m/z	Relative Intensity
53.03934	1.1
54.54439	0.2
55.01851	1.2
57.03430	3.1
61.02921	3.2
63.67192	0.3
64.71630	0.2
64.98421	0.2
69.03064	0.5
69.03416	8.6
70.06586	0.4
71.04967	0.5
72.28191	0.2
73.02890	1.9
80.35752	0.3
81.03395	4.6
83.01305	0.3
85.02890	41.6
86.09702	0.3
87.04430	0.4
91.03932	1.2
97.02867	15.3
98.98444	100.0
99.04433	2.1
101.02301	0.3
109.02859	3.6
115.03940	0.4
116.99482	2.3
127.03893	7.3
145.04935	5.6
163.05994	1.2
182.30769	0.4
182.59015	0.3
197.92555	0.3
209.83958	0.3
261.03513	0.4
261.05942	0.5
261.09494	0.6
261.14523	0.4
281.22928	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	260.0528
Annotation	1-Amino-1-deoxy-scyllo-inositol 4-phosphate
Peak:m/z	Relative Intensity
56.96557	7.2
57.03427	10.8
58.06565	5.1
69.03420	22.5
71.04957	5.2
72.08162	6.8
73.02898	5.3
78.06197	4.2
81.03393	7.5
84.01545	7.0
84.04478	4.7
84.08120	30.0
85.02886	20.5
86.09682	11.4
90.36317	4.7
95.91159	4.9
97.02872	18.8
98.03201	4.9
98.97575	29.1
100.07613	67.0
104.10723	31.0
106.85708	4.9
109.02891	4.8
116.98608	6.5
118.08628	22.3
127.03932	4.8
138.05418	7.2
144.10237	6.8
149.01218	9.9
149.54163	5.1
156.03447	5.0
158.62323	5.3
205.05565	5.2
260.05243	100.0
260.19598	24.8
268.32626	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	260.2581
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00295	0.4
53.20122	0.2
55.05495	0.4
56.41661	0.2
57.03408	1.7
57.07067	15.5
58.06594	1.1
61.76256	0.3
61.83625	0.2
62.06085	0.6
69.07050	0.5
70.06575	20.0
71.08615	3.7
79.00700	0.3
79.05466	0.3
81.07010	0.3
85.10168	0.4
88.07612	24.6
91.05457	1.1
91.73217	0.3
93.07009	0.5
93.93821	0.3
95.08542	0.4
98.97564	1.2
102.09167	6.9
105.07030	0.4
106.08655	12.2
106.09394	0.4
116.98590	1.3
119.08531	0.6
125.09647	0.3
142.03542	0.3
193.12263	0.4
198.22096	0.5
211.13303	2.1
216.23138	1.4
242.24734	9.0
260.25784	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.2052
Annotation	13-Apo-beta-carotenone
Peak:m/z	Relative Intensity
53.03912	3.4
55.05497	28.7
57.07047	4.3
65.29989	3.0
67.05495	25.6
69.07055	63.2
71.04976	54.0
79.05471	16.1
81.07036	36.3
81.50498	3.1
83.04963	7.3
83.08615	13.8
85.02902	3.5
85.06519	22.2
91.05452	32.3
93.07033	41.6
95.04903	3.2
95.08595	31.3
97.06519	12.9
105.07015	65.0
107.08563	38.2
109.06515	17.3
109.10138	18.0
111.08055	50.9
117.07000	21.5
119.08546	100.0
121.10128	18.8
123.11674	24.4
129.06976	7.6
130.07768	5.1
131.08551	33.0
133.10129	75.8
133.31210	3.6
135.08022	28.3
135.11725	4.1
137.09636	4.9
142.07799	4.5
143.08549	15.1
144.09291	6.0
145.10104	52.9
147.11662	36.6
156.09396	7.5
157.10126	25.1
159.11662	43.5
160.12476	6.2
161.13216	92.1
170.10928	3.9
171.11687	18.4
173.13264	13.3
175.14777	98.5
175.16153	5.6
176.15512	4.8
177.12679	4.0
185.13239	14.7
190.13493	4.5
190.58231	3.8
191.33792	3.2
201.16267	25.1
203.14177	3.6
229.15884	3.4
241.19516	12.5
259.20551	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	259.0964
Annotation	Cochinolide
Peak:m/z	Relative Intensity
51.17052	0.5
53.03932	1.0
54.96368	0.6
56.96552	0.7
57.68547	0.6
63.46953	0.6
72.43645	0.6
79.05482	5.3
81.07050	1.0
95.04933	3.7
97.06511	1.2
98.97583	1.6
101.78300	0.7
107.04945	100.0
109.06509	1.0
116.98626	2.5
121.02864	0.9
122.03635	0.7
123.04417	5.3
125.05990	3.4
134.99608	1.2
135.04453	2.6
135.05525	2.7
137.05960	38.5
153.05528	5.2
161.30829	0.8
163.03879	1.0
165.05437	14.0
259.09604	11.9
270.27893	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0964
Annotation	Benzyl 2-hydroxy-6-methoxybenzoate
Peak:m/z	Relative Intensity
53.00314	0.3
55.01862	0.5
55.05511	0.7
56.96545	0.6
65.03922	1.4
65.07726	0.3
67.05492	0.6
68.07266	0.3
69.03398	0.4
69.07057	1.7
79.05468	1.6
81.07030	1.7
91.05463	100.0
93.07053	1.1
95.04969	1.7
95.08613	0.5
97.06520	3.5
98.97562	1.6
105.07025	0.7
107.08600	0.6
116.98591	0.5
117.03347	0.4
129.06985	0.4
131.08566	1.3
133.10094	0.4
135.04405	0.8
135.11693	0.3
137.05946	0.4
140.51930	0.3
143.08565	0.5
145.10127	0.6
151.03894	7.8
153.36800	0.3
154.02586	1.4
155.08527	0.3
157.10162	0.6
159.11584	0.4
161.05931	0.4
161.25616	0.3
163.03850	2.7
169.08508	0.3
173.02312	1.4
177.60957	0.3
186.03041	0.6
214.02571	1.5
215.03412	1.6
215.07007	0.6
241.08635	0.7
244.03632	4.7
259.05978	7.1
259.09488	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.0963
Annotation	Cochinolide
Peak:m/z	Relative Intensity
55.05499	0.6
56.96551	0.4
67.05477	0.6
69.03437	0.5
69.07040	0.7
71.04986	0.3
71.47621	0.3
79.05472	3.7
81.07036	1.6
82.06543	0.4
85.01118	3.1
85.06506	0.4
86.00645	0.4
91.05468	0.5
93.07008	0.6
95.04913	0.7
95.08575	0.7
96.08152	0.4
97.06520	3.8
98.97546	1.4
102.54105	0.3
104.79325	0.3
105.07008	0.8
107.04935	100.0
113.04208	1.7
116.98596	1.4
119.08582	0.4
130.04938	0.4
134.99634	0.4
135.04382	1.5
145.10078	0.4
153.05438	6.4
156.08417	0.4
157.49225	0.4
163.03865	1.8
173.02312	1.5
215.07141	0.5
224.17287	0.4
259.09167	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	259.06
Annotation	Norlichexanthone
Peak:m/z	Relative Intensity
53.07605	1.3
55.01883	1.5
55.05507	2.2
58.02320	1.3
58.37354	1.4
61.89351	1.3
65.03923	3.0
68.99789	2.7
69.07044	1.5
71.04986	1.6
79.05453	1.9
81.07015	2.7
83.04935	1.6
84.49621	1.4
84.50167	1.4
85.06496	1.5
89.03970	1.6
95.08573	3.8
97.06509	1.4
100.03854	1.6
105.07001	3.3
107.04926	3.1
107.08574	1.6
121.02856	25.3
123.04399	11.6
129.06984	2.7
137.05965	7.2
147.04375	7.4
149.02324	100.0
157.06439	12.2
167.03380	1.7
171.04279	1.9
175.07541	3.1
185.05960	20.5
203.14050	1.9
210.33910	1.5
213.05428	31.9
231.06482	67.4
231.67946	1.4
241.04904	7.0
259.05954	38.0
259.08936	2.1
259.09662	1.7
259.14456	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	258.0971
Annotation	Unknow
Peak:m/z	Relative Intensity
51.29297	0.6
64.33152	0.7
80.71822	0.7
92.63465	0.8
105.07011	9.0
107.04936	100.0
115.05379	0.9
131.04906	3.2
133.06461	41.4
149.05959	1.3
154.56226	0.7
159.04401	4.1
161.05942	49.6
171.05516	4.9
177.05367	8.1
187.03908	5.1
195.06476	21.9
205.04912	25.4
210.74176	0.8
211.23009	0.7
223.05978	9.6
241.06982	1.5
244.48868	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.96025	0.5
53.00284	0.6
55.05491	0.8
57.07069	24.1
58.06577	3.2
61.66064	0.5
62.06079	13.3
62.06389	1.0
71.08617	8.6
76.81872	0.5
79.80702	0.5
85.10152	4.3
92.09360	0.7
116.98616	0.6
128.80183	0.5
154.94109	2.5
172.95221	3.3
212.67793	0.6
224.30507	0.6
240.26822	10.6
258.27866	100.0
275.40082	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.2789
Annotation	Unknow
Peak:m/z	Relative Intensity
54.19576	0.3
54.46550	0.3
57.05798	0.4
57.06807	0.6
57.07063	9.1
58.06583	1.9
67.54776	0.4
70.06555	1.7
71.08613	4.3
72.08134	33.7
85.10165	0.6
88.07598	2.9
90.09170	23.7
94.72304	0.3
98.97536	0.8
99.59875	0.4
107.04945	0.9
109.32623	0.3
151.07571	0.4
184.12563	0.3
203.79778	0.4
214.25264	1.5
218.07353	0.4
258.27856	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	258.9973
Annotation	Unknow
Peak:m/z	Relative Intensity
50.81825	1.0
53.69077	1.0
56.96549	10.8
72.75370	1.1
75.54150	1.1
78.95854	1.0
81.25121	1.0
88.25393	1.1
98.97556	100.0
100.52610	1.2
116.98598	60.1
121.95258	1.1
125.63507	1.2
129.40161	1.1
130.46382	1.2
133.71953	1.3
134.99596	21.4
141.48697	1.2
156.97421	22.0
164.74352	1.1
172.44095	1.2
174.98470	27.1
188.82942	1.2
198.98486	5.2
216.99545	16.3
239.49483	1.3
240.98441	1.3
258.99640	12.0
276.97940	2.5
277.00748	32.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1281
Annotation	Albonoursin
Peak:m/z	Relative Intensity
53.03946	1.8
54.81566	1.5
55.05509	3.0
56.96547	8.1
63.84774	1.4
65.03917	3.1
65.26941	1.4
66.17747	1.4
67.05493	6.9
69.03427	1.7
69.07055	6.6
73.47907	1.3
79.05474	3.6
81.07029	8.2
83.08593	1.5
91.05465	2.3
92.04990	8.9
94.06561	2.7
95.04958	2.3
95.08590	3.8
95.87977	1.5
97.05363	2.0
98.97551	2.6
105.07024	6.4
107.04934	100.0
109.10137	2.9
109.44636	1.6
109.99952	1.5
110.10640	1.6
116.98570	2.0
120.04431	3.9
121.00732	2.4
121.06497	2.1
133.06476	3.8
137.05937	2.3
139.01756	14.4
141.56456	1.8
143.08551	2.2
145.10168	2.2
154.06491	2.0
157.09987	2.0
159.09093	2.6
160.07541	3.4
162.03345	1.9
168.08081	3.1
169.08809	7.0
172.07564	2.1
172.09933	3.4
183.09203	2.6
184.07597	1.6
184.11182	8.3
185.10712	3.1
186.11459	15.6
187.08701	3.1
197.08328	12.4
199.08617	10.6
200.09346	20.5
201.13802	13.4
211.02727	3.5
211.08598	2.6
212.10703	12.5
213.06642	11.1
213.10188	15.3
214.10950	8.7
227.08063	13.4
228.08829	18.6
229.03865	3.3
229.09804	16.9
229.13295	41.0
241.09641	18.1
242.10461	26.8
257.12781	59.8
257.18744	1.7
258.11151	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.3
55.01856	1.5
56.88813	0.2
56.96548	0.3
57.03428	7.0
72.79199	0.2
73.56519	0.3
75.04452	1.5
76.56362	0.3
78.04736	0.4
79.05476	5.0
87.27934	0.3
87.51402	0.3
89.01852	0.2
91.05453	1.5
94.04150	1.1
95.04940	1.1
97.02837	0.3
98.97588	0.3
103.05451	3.2
105.07007	38.1
107.04945	3.1
109.06509	1.3
115.05426	0.7
117.06967	1.4
122.03625	4.9
124.05200	0.5
130.32178	0.3
133.06461	36.5
135.04343	0.5
135.08008	0.7
136.05153	0.5
137.05949	100.0
149.05983	0.3
150.06795	0.3
151.07579	0.3
163.07533	3.6
165.09067	12.7
175.07536	2.3
177.09052	0.5
181.08540	0.5
182.09279	0.4
183.10135	3.4
203.10667	0.6
221.11726	1.2
234.28387	0.3
239.12711	0.4
253.63483	0.3
257.13760	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.138
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01864	1.4
55.05489	0.5
57.03434	6.8
59.42111	0.6
69.07055	0.7
75.04465	1.2
79.05463	3.9
81.07035	2.5
85.06522	0.6
91.05453	3.9
92.63965	0.6
93.07011	1.3
95.04959	1.0
98.97591	0.7
103.05436	3.5
105.07013	43.5
105.31902	0.6
107.04923	3.4
107.08550	0.9
109.06499	2.5
109.68594	0.5
110.22530	0.6
115.05455	0.8
117.06996	1.4
119.08563	1.1
122.03606	3.7
124.05203	1.1
133.06473	43.7
133.10104	0.8
135.08008	1.2
137.05954	100.0
145.06467	0.8
145.10100	1.0
154.33099	0.6
157.10110	0.8
159.11595	1.2
163.07523	3.0
165.09082	14.3
168.80800	0.6
173.13297	0.7
175.07535	3.4
183.08072	0.7
183.10149	2.7
184.32097	0.6
185.13222	1.0
193.06535	0.6
196.05312	0.6
211.07526	4.6
221.05940	0.7
221.11729	3.0
228.12660	1.1
229.08665	0.7
239.06961	1.3
239.16496	1.0
242.05692	3.2
257.08075	5.3
257.13754	1.1
257.16376	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.1281
Annotation	Albonoursin
Peak:m/z	Relative Intensity
52.51534	1.8
54.05035	1.7
55.05487	2.3
56.96567	3.3
65.03918	9.2
67.04449	2.3
67.05504	4.7
76.52274	2.2
79.05463	4.0
81.07042	5.7
82.02946	2.1
85.02861	2.0
86.59678	2.4
91.05461	5.1
92.04974	11.6
92.35086	2.1
93.07050	2.8
94.06529	4.4
95.04921	7.7
95.08581	3.5
98.13239	2.2
105.06960	5.0
107.04942	12.3
107.08606	2.8
111.08096	2.9
116.98687	2.7
119.08573	5.5
120.04410	7.9
121.00746	2.6
121.06541	2.3
121.10133	2.3
122.06031	2.6
129.06953	4.2
139.01788	15.1
154.06384	3.4
155.07262	3.6
156.08028	9.0
157.10089	3.9
160.07582	4.5
162.03337	2.8
168.08109	8.7
169.08846	14.9
171.09134	4.2
172.07570	4.5
172.09908	4.1
183.06784	3.3
183.09196	7.9
184.07565	12.0
184.11115	16.0
185.07054	3.6
185.10741	14.7
186.11484	25.2
187.08578	2.7
194.09503	2.7
196.07683	3.1
196.09790	3.6
197.08321	26.8
199.08568	23.6
200.09381	39.8
200.13162	2.4
201.13814	27.1
211.08662	3.6
211.12323	3.3
212.10735	22.1
213.06589	20.3
213.10158	31.2
214.07471	3.1
214.10907	22.6
224.09419	4.2
227.08156	25.4
228.08827	43.8
229.09718	29.2
229.13295	64.5
239.11720	5.0
240.10121	3.2
241.09659	51.1
242.10434	71.4
257.12808	100.0
257.18835	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	257.128
Annotation	Unknow
Peak:m/z	Relative Intensity
51.88985	1.4
53.03930	1.4
53.89370	1.5
55.01897	1.5
55.05502	2.9
56.96534	2.1
65.03915	10.1
67.05495	6.7
69.07043	3.6
79.05451	2.3
80.03045	1.6
81.07064	6.3
82.02938	2.5
84.83192	2.0
91.05451	2.5
92.04981	11.1
92.08572	2.7
93.07004	1.7
94.06580	2.6
95.04900	2.2
95.08578	2.6
100.51077	1.5
104.66815	1.6
105.06991	2.3
107.04960	14.7
107.08628	2.0
110.05982	1.7
116.98647	1.8
119.08559	2.6
120.04469	4.1
121.00733	2.2
122.05962	2.4
139.01773	10.0
142.07744	2.5
143.08556	3.0
144.08102	2.8
154.06531	3.6
156.08102	2.5
157.10052	2.7
158.09608	2.7
159.09167	1.8
159.11641	2.4
160.07550	7.0
162.03371	4.1
168.08066	4.0
169.08817	4.3
170.09567	2.5
171.09093	3.4
171.10437	2.1
172.09918	2.6
173.13144	1.9
174.09070	2.5
183.06888	1.8
183.09145	2.3
184.07547	7.3
184.11169	8.9
185.07039	5.7
185.10748	7.6
186.11505	19.8
187.08649	11.6
194.09622	2.2
197.08333	13.6
199.08517	13.7
200.09389	19.6
201.10168	3.5
201.13864	30.7
211.08568	2.7
212.10669	18.3
213.06569	11.4
213.10202	10.3
214.10765	15.0
227.08208	12.7
228.08864	12.5
229.09781	21.2
229.13322	67.6
241.09648	13.2
242.10524	16.2
257.12799	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0805
Annotation	Isoliquiritigenin
Peak:m/z	Relative Intensity
55.05483	0.6
57.07066	0.5
57.41260	0.4
62.46967	0.3
63.85065	0.3
65.03925	0.6
67.05479	1.6
68.99783	2.0
69.07059	0.7
71.04959	0.4
79.05433	0.6
81.03400	6.7
81.07027	2.9
82.84740	0.4
91.05457	6.7
91.40951	0.4
93.07037	0.7
95.04941	3.0
95.08568	1.0
98.97578	0.8
105.05337	0.4
105.07001	0.6
106.06313	0.4
107.04938	4.8
107.08518	0.5
108.52080	0.4
109.02870	0.4
109.10145	0.7
110.56921	0.4
111.04446	0.6
116.98595	0.8
117.03330	3.1
119.04913	18.1
119.08575	0.5
121.00774	0.5
123.04376	1.9
127.03905	0.7
131.21051	0.5
134.99564	0.4
137.02312	100.0
139.01794	2.0
141.06982	0.6
144.02307	0.5
144.75029	0.4
147.04382	33.6
153.06999	0.4
155.03285	0.6
155.08542	0.5
162.03333	0.8
163.03865	2.0
165.06964	2.1
169.06483	0.6
183.08032	0.9
211.07506	5.1
225.98068	0.4
239.06953	4.2
242.05676	1.7
257.08023	39.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0806
Annotation	cis-3,4-Phenanthrenedihydrodiol-4-carboxylate
Peak:m/z	Relative Intensity
54.24012	0.9
55.01863	2.4
55.05498	1.4
56.68606	0.9
56.96543	5.9
57.07059	1.5
60.27012	0.9
61.02900	1.9
61.10121	1.1
66.73330	0.9
67.05486	2.6
69.03409	2.9
69.07039	2.3
70.06574	1.1
71.04966	1.7
79.05457	6.2
81.03375	2.0
81.07029	16.8
83.01295	1.3
84.87488	1.0
85.06541	1.6
91.05442	7.0
93.07031	8.9
95.04928	1.3
95.08585	5.4
98.97563	2.8
104.56697	1.1
105.07019	12.1
107.08580	8.2
109.06478	1.4
109.10139	2.8
111.08060	1.4
115.05428	2.3
116.98573	1.9
117.06941	1.3
119.08571	13.4
121.06456	2.0
121.10094	1.3
123.04414	12.4
127.11246	1.1
129.05444	1.2
129.06995	4.7
131.08505	1.8
133.10080	2.6
135.11642	7.6
139.01775	1.8
141.06987	7.4
143.04927	4.1
145.06442	2.4
145.10081	2.2
147.04352	1.2
147.11613	1.9
150.96889	1.3
152.06155	1.8
153.06943	16.8
154.07747	5.6
155.08534	41.5
165.06972	51.9
168.05673	9.5
169.06351	2.4
173.05963	10.9
183.08015	35.4
186.06709	4.8
187.07576	8.4
193.06442	16.3
196.05229	2.3
197.05934	5.1
197.07855	1.1
201.09047	4.5
202.31287	1.1
203.17810	2.2
210.06665	1.5
211.07506	100.0
212.08313	1.3
213.05429	5.1
214.06210	23.5
221.05939	9.9
221.18916	7.2
229.08549	19.8
239.06982	45.1
242.05701	71.9
257.08020	83.0
273.07755	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.2996
Annotation	N-Methyldioctylamine
Peak:m/z	Relative Intensity
53.21886	0.2
53.48860	0.2
55.05488	0.2
57.07068	8.0
57.96692	0.2
58.06580	2.6
60.08152	29.3
71.08303	0.3
71.08625	3.6
72.66972	0.2
75.56345	0.2
85.02882	0.4
85.10168	1.4
87.49313	0.2
89.84101	0.2
133.80202	0.2
134.61597	0.2
139.01801	0.3
145.58394	0.2
188.11806	0.2
211.19676	0.2
256.29938	100.0
266.08490	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	257.0653
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01852	0.4
56.96545	0.8
58.97392	0.3
69.03393	0.3
69.84645	0.4
73.02869	0.4
75.97626	0.3
79.05502	0.5
80.62826	0.3
91.05447	0.6
93.07010	0.5
95.04939	1.6
97.02850	0.3
97.56612	0.4
98.97545	1.9
103.05444	14.8
103.06097	0.7
105.06963	0.5
107.04939	5.1
116.98605	1.4
119.04910	1.4
121.06480	1.8
123.04401	100.0
131.04900	28.6
133.02817	0.7
134.99625	0.7
135.05815	0.3
137.05923	0.4
141.03372	0.4
147.04393	11.8
148.89328	0.3
149.05952	10.0
151.03896	1.7
155.29068	0.3
157.44720	0.3
159.04367	6.6
165.05476	2.8
175.03870	12.7
176.04611	0.7
177.05431	23.9
187.05029	1.5
193.04932	16.8
203.03362	10.9
211.05917	2.5
211.18002	0.7
221.04404	12.1
239.05443	2.6
249.80435	0.4
257.06235	0.7
257.18518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.0814
Annotation	Nicotinate riboside
Peak:m/z	Relative Intensity
53.03936	1.1
55.01863	5.9
56.96548	0.3
57.03427	11.7
59.04989	3.6
61.02913	6.6
62.06065	0.3
69.03414	10.5
70.06567	0.3
71.01331	3.3
71.04971	2.5
73.02898	9.8
74.13037	0.2
75.04458	1.2
77.06042	0.8
78.03435	0.3
80.04994	2.1
81.03400	3.2
83.01312	1.2
83.04992	0.2
83.06095	0.4
85.02887	44.0
87.04449	5.4
89.02377	1.0
91.03938	1.9
95.01325	0.4
95.06109	0.2
96.04475	0.9
96.72503	0.2
97.02869	10.0
98.97543	0.2
99.04422	1.6
101.02360	6.9
101.06027	0.2
103.03926	1.4
109.02873	3.1
109.07611	0.2
110.07167	0.3
111.00781	0.5
113.02348	0.8
114.05515	0.3
115.03902	8.6
123.05513	0.8
124.03927	100.0
127.03894	7.3
127.04880	0.3
129.01816	8.0
133.04942	3.0
141.01877	0.2
141.11996	0.2
143.03369	4.0
145.04933	11.8
147.02812	0.2
148.07614	0.3
150.05447	0.4
150.06570	1.1
153.06662	0.3
155.08174	2.0
157.01306	5.3
161.04395	3.9
163.06004	4.2
164.08151	0.2
166.08614	0.5
168.06570	0.2
171.02795	2.0
184.04573	0.2
189.02240	0.4
189.03896	8.6
196.07195	2.0
203.05492	3.6
221.06564	1.6
238.07034	0.3
239.11234	1.2
256.09082	1.0
256.12546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1024
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	17.1
56.53460	0.9
56.96543	1.4
57.03428	42.2
59.04995	20.2
61.02917	13.4
69.03416	17.5
70.95878	1.1
71.01326	12.7
71.04971	10.2
73.02895	16.6
75.04446	1.6
77.06018	1.9
77.86204	1.0
81.03413	2.6
83.01331	5.6
85.02888	100.0
87.00797	1.4
87.04447	26.5
89.02374	7.5
91.03935	2.4
95.01300	1.7
97.02874	21.1
98.97569	1.2
99.04443	5.0
101.02351	38.3
103.03941	4.3
109.02872	7.4
111.00732	1.4
112.70252	1.1
113.02351	2.1
115.03903	58.6
124.03885	2.2
127.03872	18.0
129.01813	43.6
131.03357	1.1
133.04929	5.3
141.01823	4.9
143.03375	20.1
145.04944	25.2
147.02925	1.3
157.01285	52.9
161.04449	15.7
163.05957	10.4
171.02814	11.6
175.02393	1.2
179.02562	1.2
189.03900	64.2
203.05472	21.6
207.05031	7.8
221.06555	6.0
239.11308	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	256.1025
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39613	0.5
53.03936	2.4
55.01863	13.4
56.96534	0.8
57.03424	30.5
57.54988	0.5
59.04986	12.3
61.02914	15.1
67.44246	0.7
69.03410	22.5
71.01334	7.4
71.04976	6.0
73.02897	21.7
74.48440	0.5
75.04438	0.9
77.06004	0.7
80.05013	0.9
80.34028	0.6
81.03397	9.5
83.01319	3.6
85.02885	100.0
87.00800	1.2
87.04443	15.0
89.02344	3.2
91.03941	6.3
95.01287	1.3
96.04462	1.1
97.02874	20.3
99.04445	4.5
101.02352	23.5
103.03918	3.1
109.02859	9.1
110.19180	0.6
111.00790	2.4
113.02337	8.1
114.05486	1.2
115.03902	29.4
124.03925	98.3
127.03882	20.2
129.01807	32.0
131.03412	0.7
133.04915	5.5
135.31509	0.6
141.01779	2.5
143.03375	12.4
145.04930	27.5
147.02867	1.3
150.05435	0.6
155.08183	2.3
157.01299	24.9
161.04410	15.1
163.05972	10.8
171.02856	8.7
175.02318	0.7
185.04376	1.3
189.03909	34.2
196.07108	1.0
203.05464	14.3
204.92874	0.7
207.04906	2.8
221.06451	4.5
239.11276	1.3
256.08057	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1014
Annotation	4'-hydroxy-2'-methoxychalcone
Peak:m/z	Relative Intensity
50.42451	1.0
54.14294	1.2
54.81711	1.2
55.01875	1.9
55.05504	2.0
56.96563	2.0
57.07066	2.2
67.05477	2.4
69.07037	5.1
79.05463	7.7
81.07018	6.0
89.73640	1.2
91.05437	5.9
93.06995	2.8
95.04954	3.3
95.08577	6.1
103.05444	12.3
105.07007	20.8
107.04937	53.8
107.05627	2.4
112.67212	1.3
114.98329	1.3
115.05422	2.4
117.07055	1.2
121.06507	6.2
121.10084	1.7
123.04434	8.4
126.73521	1.3
130.67874	1.4
131.04904	100.0
133.06470	14.9
137.05963	18.9
145.06407	2.7
147.04355	1.5
149.05971	8.3
161.05928	29.3
165.06937	2.8
166.07819	1.8
167.08519	2.7
181.03960	1.6
194.07213	2.5
195.07954	12.0
197.05940	2.0
212.08307	7.3
223.07477	7.2
224.08310	9.4
225.05461	1.9
227.10612	8.0
239.06940	6.2
240.07738	10.5
255.06366	2.7
255.10112	62.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1013
Annotation	7-Methoxyflavanone
Peak:m/z	Relative Intensity
53.03926	0.4
55.05489	0.2
69.07051	1.1
78.04772	0.2
79.05458	1.2
81.07043	1.1
93.06995	0.4
95.04964	1.3
95.08582	0.5
105.07018	0.3
107.04940	100.0
108.05292	0.3
111.11813	0.2
121.06474	5.1
123.04417	0.6
142.73318	0.2
145.06435	0.5
149.05959	7.2
149.07071	0.4
255.10095	1.8
274.07248	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1953
Annotation	Yingzhaosu B
Peak:m/z	Relative Intensity
50.51466	3.8
53.03931	3.9
55.05491	25.7
56.96545	9.0
57.07071	4.9
67.05492	34.6
69.03412	6.0
69.07050	53.2
71.04972	50.9
71.89853	3.9
71.95195	3.8
74.81703	3.7
79.05474	34.0
81.07035	100.0
83.04962	7.1
83.08593	10.0
85.06521	6.1
89.06008	8.2
91.05459	40.8
92.63383	5.6
93.07018	91.3
95.08594	57.1
97.06519	6.9
98.97566	8.9
99.08073	8.5
105.07017	71.9
107.04942	50.8
107.08577	75.5
109.10134	64.3
119.08542	30.4
121.06445	6.5
121.10114	81.2
123.04356	5.1
123.08011	6.1
123.11687	33.2
125.09611	10.9
131.04881	25.7
131.08517	7.9
133.10106	39.3
135.03065	4.4
135.11676	9.9
145.10114	6.9
147.11655	20.3
149.13245	57.6
151.11124	10.4
159.11641	8.7
165.12750	7.5
181.42645	4.6
207.84924	5.0
219.17401	23.9
224.08299	4.4
237.18427	68.0
255.10054	42.3
255.19556	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	255.1012
Annotation	4'-hydroxy-2'-methoxychalcone
Peak:m/z	Relative Intensity
53.03937	1.5
58.09954	0.6
78.25858	0.6
79.05468	5.8
81.07042	1.0
91.05437	4.7
95.04930	3.7
95.08598	0.7
103.05442	10.8
103.53633	0.7
105.07011	16.4
107.04933	73.3
107.41664	0.8
115.05413	1.0
119.04924	3.3
121.06525	5.8
123.04415	7.4
125.05962	1.3
131.04900	100.0
133.06438	14.0
137.05943	16.7
143.97850	0.7
145.06461	1.8
145.55792	0.7
147.04396	3.7
149.05956	7.0
152.06247	1.1
161.05949	31.5
162.06720	1.4
165.06940	1.3
167.08580	1.6
177.06953	1.8
178.07655	1.1
181.06479	0.9
185.09543	0.9
194.07268	2.7
195.08020	11.7
196.08768	1.2
197.05931	4.1
198.06659	0.9
207.08130	0.9
211.07507	0.8
212.08290	7.0
223.07487	9.6
224.08324	9.6
225.05412	1.8
227.10567	7.8
237.08934	0.9
239.06999	4.8
240.07722	8.8
247.66544	0.8
255.10091	63.0
273.24133	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1012
Annotation	4'-hydroxy-2'-methoxychalcone
Peak:m/z	Relative Intensity
53.03942	0.9
53.88656	0.9
55.05495	0.9
56.07260	0.9
57.07050	1.7
59.82708	1.1
64.56246	1.2
64.97394	1.1
67.05488	1.9
69.07037	5.3
72.21556	1.2
76.75974	1.0
79.05451	5.5
81.07049	1.7
91.05441	5.0
91.51436	1.0
92.08632	2.5
95.04923	5.2
97.06516	2.8
102.35159	1.2
103.05444	7.5
103.59124	1.1
105.07014	17.6
107.04932	49.0
118.04223	1.6
119.04922	1.5
121.06467	5.7
123.04425	7.3
125.05970	1.3
129.25024	1.2
131.04897	100.0
133.06435	11.1
137.05949	14.4
145.06474	2.0
149.05942	6.4
152.06104	1.8
161.05933	27.8
165.06946	1.7
167.08566	1.5
172.44643	1.2
177.06955	2.2
184.08812	1.4
194.07176	4.2
195.07994	10.0
196.08789	1.8
197.05894	2.4
207.07959	1.4
211.07545	1.8
212.08263	5.7
223.07474	6.3
224.08318	8.0
225.05518	1.7
227.10551	8.1
239.07025	6.8
240.07770	9.2
255.10089	60.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1595
Annotation	Unknow
Peak:m/z	Relative Intensity
51.13413	0.3
51.40342	0.4
53.03930	2.1
55.01858	2.4
57.03431	5.1
57.07062	1.1
59.04978	0.5
60.04509	0.8
60.64117	0.4
61.02913	11.5
69.03416	20.4
71.04973	2.5
73.02895	5.4
73.75771	0.4
81.03397	6.9
85.02887	100.0
87.04453	3.0
91.03941	5.4
97.02869	22.1
99.04409	4.1
101.02337	0.8
103.03919	0.9
109.02863	8.9
115.03879	0.8
118.51196	0.5
127.03885	19.1
145.04935	25.7
163.05975	9.4
237.13391	0.7
272.17606	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1596
Annotation	Unknow
Peak:m/z	Relative Intensity
52.12237	0.7
53.03941	1.3
53.85315	0.7
55.01846	1.2
56.96543	1.6
57.03432	6.3
57.83006	0.8
60.04507	5.5
61.02915	10.4
64.30151	0.7
69.03411	19.4
70.06575	0.7
71.04986	1.4
72.93755	1.0
73.02875	3.8
81.03388	8.6
82.19911	0.7
85.02887	100.0
87.04424	3.2
91.03924	5.1
91.04436	0.8
97.02863	19.6
98.97556	1.1
99.04420	3.9
99.45645	0.7
103.03954	0.9
109.02853	7.1
116.98676	0.8
127.03909	16.2
145.04932	27.6
163.05991	9.3
170.91191	0.9
188.92458	1.8
229.84505	0.7
237.70384	0.9
241.70258	0.8
271.88724	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	255.1015
Annotation	Corsifuran C
Peak:m/z	Relative Intensity
51.86264	1.6
55.01851	2.2
55.05495	3.3
56.96547	2.3
57.07066	2.4
59.44276	1.4
66.25465	1.6
67.05485	2.5
69.07045	3.7
79.05470	2.6
81.07020	9.9
83.08588	3.1
90.05096	1.9
91.05446	8.8
93.07003	8.9
95.04964	2.3
95.08577	4.4
97.06523	1.9
105.06997	9.4
107.04941	28.7
107.08578	3.0
115.05370	2.7
121.06396	2.1
121.10155	2.2
123.04407	10.4
123.11642	2.8
123.93130	1.8
128.10764	2.7
131.04869	3.3
133.06407	2.7
133.10085	3.8
136.61713	1.8
145.06445	3.2
147.04384	8.1
149.02298	1.8
152.45412	1.7
156.10094	2.0
176.96559	1.8
182.15334	3.3
191.08492	2.1
197.05962	18.4
209.09593	4.0
210.14865	2.3
222.06685	1.8
223.07550	2.3
237.09189	3.0
240.75056	1.7
255.06293	3.4
255.10106	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.2161
Annotation	(E)-3,7-Dimethyl-2,6-octadienyl ester 4-methyl-pentanoic acid
Peak:m/z	Relative Intensity
53.03912	7.0
55.05511	77.5
55.39241	5.9
56.96584	5.9
57.07057	15.7
57.69187	5.9
63.18159	5.7
65.15490	6.3
67.05496	51.4
68.61402	6.1
69.03420	8.2
69.07057	94.6
71.04975	8.4
74.95177	6.6
79.05457	31.3
81.07040	100.0
83.08604	41.4
91.05463	12.8
93.07020	46.8
95.08601	85.1
97.10146	11.7
98.97569	8.2
105.07026	28.7
107.08565	33.7
109.10139	36.5
119.08566	42.1
121.06456	6.4
121.10125	31.7
125.02374	10.9
132.21915	7.3
133.10127	26.9
135.11664	14.9
147.11708	24.9
161.13190	6.8
162.28052	6.4
199.56537	7.5
225.51381	7.3
235.16942	9.6
235.20435	9.2
253.14166	7.4
253.21605	29.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	254.1384
Annotation	Unknow
Peak:m/z	Relative Intensity
51.70882	0.7
53.43244	0.7
53.72130	0.7
54.81135	0.8
59.04982	1.9
59.11640	0.7
60.04506	1.9
60.05316	0.9
60.08151	59.5
61.02912	1.0
65.03913	7.4
68.05022	5.9
69.03396	1.5
71.01813	0.7
71.64440	0.7
73.06535	18.9
74.06871	9.9
85.02881	5.5
86.03233	3.7
87.91614	0.7
91.05430	8.0
93.03382	18.9
95.01291	1.2
95.04919	1.1
96.04446	1.2
110.03624	1.3
111.04424	33.2
112.03914	1.0
119.04900	6.0
121.06447	1.8
124.03928	1.2
125.05968	54.5
140.03397	6.5
149.05954	85.6
153.05441	100.0
162.05449	1.1
163.03865	1.2
168.02881	1.7
177.04156	0.8
177.05389	6.4
190.04892	1.0
195.06499	30.9
236.05585	0.9
237.73497	1.1
254.06520	1.4
254.11192	1.2
254.13814	27.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
56.51565	0.6
56.96553	1.3
57.03401	0.9
57.07065	15.3
59.04974	0.9
67.05496	23.9
69.03442	0.9
69.07037	3.6
71.04968	7.8
72.41476	0.8
85.06532	21.4
87.00813	11.0
88.45317	0.8
89.63493	0.8
91.05480	1.1
92.08702	1.7
95.04951	35.1
103.07591	3.0
105.01838	7.6
109.84050	0.9
109.88187	1.0
113.05991	65.9
119.04933	3.6
131.07024	100.0
147.04361	7.4
148.04707	1.0
163.97737	1.6
168.89548	0.9
183.72104	0.8
189.07568	5.2
205.98749	3.2
217.07094	6.6
235.08205	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.128
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.0
55.01867	2.8
55.05506	10.6
55.36615	0.5
57.03210	0.5
57.03430	8.3
61.02909	10.9
66.40560	0.5
68.64773	0.6
69.03413	24.0
71.04962	2.8
73.02894	3.7
73.06535	33.6
81.03398	6.3
85.02886	100.0
87.04440	1.4
91.03931	2.8
97.02866	18.7
99.04435	4.6
101.02378	1.0
103.03915	0.8
109.02858	8.9
125.11609	0.6
127.03892	15.6
145.04926	11.8
149.47722	0.7
153.29672	0.6
158.15758	0.6
158.87289	0.6
163.05963	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	253.1279
Annotation	Unknow
Peak:m/z	Relative Intensity
50.54828	0.6
53.03942	1.6
55.01854	2.9
55.05504	16.0
57.03428	8.6
61.02915	10.3
69.03414	23.4
69.03762	1.4
71.04973	1.7
73.02887	2.8
73.06535	49.3
81.03389	7.9
81.22540	0.8
85.02885	100.0
86.66085	0.7
87.04430	0.9
91.03941	1.7
97.02854	22.0
99.04420	4.5
101.02312	0.8
109.02880	8.0
127.03881	13.3
145.04953	12.2
163.06004	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	253.1795
Annotation	Juvenile hormone III acid
Peak:m/z	Relative Intensity
54.81867	2.6
55.05498	17.7
55.31920	3.0
59.04974	3.7
65.03876	3.1
67.05487	68.5
69.07055	14.3
71.04974	56.2
73.06547	6.1
79.05473	16.9
81.07045	46.5
91.05470	14.4
93.07010	41.2
95.04940	69.4
95.08578	18.2
97.06514	3.3
105.06998	39.1
107.08563	69.0
109.06493	7.6
109.10139	100.0
110.38789	2.9
111.08044	2.9
119.08541	43.3
121.10120	36.6
125.09598	21.0
131.08566	15.3
133.10075	17.9
135.11676	33.0
145.10118	22.3
147.11674	51.7
153.12703	26.5
157.10115	7.0
159.46764	3.5
161.09578	3.7
173.13255	4.2
175.14803	4.4
177.09930	3.3
189.16344	16.7
193.15912	6.3
217.15913	18.1
235.16840	26.1
253.17929	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	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16486	0.3
57.94683	0.3
62.50588	0.3
65.03934	1.3
70.02934	2.0
72.27299	0.3
74.02424	27.9
77.24884	0.3
87.40828	0.4
88.03974	40.2
91.05460	100.0
99.00795	0.6
116.03437	12.2
121.18849	0.4
134.04466	29.4
136.07549	0.8
145.25165	0.4
183.42383	0.4
193.81444	0.4
206.08080	0.8
234.07576	3.0
244.71176	0.4
252.08640	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.49678	0.2
51.80209	0.2
54.36216	0.2
68.99768	0.4
77.03889	0.3
81.06989	0.3
87.00799	3.6
90.80775	0.2
91.05473	1.9
93.07023	1.8
95.04939	0.3
96.93649	0.2
98.97544	0.3
101.52541	0.2
103.05450	7.6
107.04930	1.0
118.06513	13.1
120.08076	100.0
121.06508	0.4
128.04956	1.8
131.04858	0.4
146.05984	20.5
164.06966	0.4
165.34647	0.2
166.08630	1.4
188.07022	12.8
192.06477	0.4
194.47244	0.3
206.08083	31.3
234.07678	0.4
242.45337	0.2
252.08563	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	252.1077
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05497	0.7
55.44406	0.6
55.57107	0.7
55.61935	0.7
55.69784	0.7
56.96540	0.9
57.03417	1.5
57.07067	12.2
58.81796	0.7
59.05009	0.8
67.05494	16.1
69.03426	0.8
69.07056	1.4
71.04981	5.8
72.65153	0.7
78.89933	0.8
84.96021	0.7
85.06529	15.0
87.00818	10.8
95.04947	31.8
97.02844	1.1
98.97543	3.4
103.95603	0.8
105.01850	3.6
113.05990	46.7
116.98605	1.1
119.04894	1.3
131.07022	71.9
136.06165	100.0
147.04434	1.9
154.66060	0.8
175.26778	0.9
189.07602	1.1
205.98674	0.9
217.07007	5.7
240.41017	0.9
241.34261	0.8
251.83112	0.9
252.10851	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	251.1639
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
51.77296	1.0
55.05503	6.7
56.96557	1.4
57.07061	1.8
67.05486	14.8
69.03391	4.6
69.07057	8.6
71.04983	6.3
78.54075	1.2
79.05476	13.7
81.03419	2.6
81.07046	17.0
83.04962	2.4
83.08612	1.3
85.06551	1.4
91.05447	13.9
93.07022	18.0
95.04948	100.0
95.08580	35.5
95.09127	2.1
97.06510	4.7
98.97548	3.0
99.04420	2.3
105.07015	28.2
107.08569	21.8
109.06514	4.9
109.10149	9.0
113.06013	2.6
115.05489	1.3
117.06988	8.9
119.08549	15.4
121.06487	9.4
121.10102	10.7
123.11736	1.4
125.05976	1.9
129.06958	1.6
131.08534	20.8
133.10101	19.3
135.08057	3.1
135.11697	2.4
143.08524	1.8
145.10112	26.0
147.11656	5.3
149.09616	7.4
157.10095	2.1
159.08041	6.4
159.11653	12.8
161.13206	3.1
163.07538	6.3
173.09631	1.7
173.13240	1.4
177.09032	11.1
187.14799	18.8
195.10179	11.5
205.15900	5.1
215.10814	1.5
215.14296	5.4
233.15285	14.0
251.12567	4.9
251.16319	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	251.1641
Annotation	6-Hydroxy-14-sesquilimonenoic acid
Peak:m/z	Relative Intensity
54.81420	3.7
55.05497	15.5
56.96560	6.1
57.07076	3.9
58.75346	3.6
59.04980	4.4
67.05485	24.9
69.03429	5.7
69.05225	3.5
69.07053	22.4
71.04947	3.6
73.49625	3.5
79.05486	27.2
81.06596	5.5
81.07037	100.0
83.04903	4.5
83.08609	5.4
88.76802	3.2
91.05453	41.7
93.07006	21.2
95.08594	45.5
97.06522	4.3
99.04395	4.7
105.07012	74.1
106.86146	3.7
107.08580	37.9
109.10132	19.6
111.04417	39.6
116.54715	4.3
117.06972	14.7
119.04961	3.8
119.08535	36.7
121.06481	7.5
121.10132	17.5
129.07025	3.9
131.08563	55.3
133.06471	4.9
133.10104	20.2
135.11647	6.2
145.10109	45.0
147.04411	5.8
147.11681	93.7
149.09592	15.6
149.13257	6.6
151.07500	25.9
157.10118	4.6
159.11626	7.2
160.74335	3.9
173.13278	3.9
175.11154	17.5
175.14751	36.7
177.09116	7.3
187.14841	32.5
191.03334	19.9
193.12256	7.3
195.10170	15.1
204.27258	3.9
205.15819	33.8
221.15356	9.3
233.15207	26.6
251.12309	6.3
251.16339	41.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
50.75794	0.5
53.00283	0.6
53.58312	0.5
55.01866	2.1
56.96548	1.1
65.05322	0.5
66.23825	0.6
67.05478	2.3
69.07053	31.2
79.05479	6.0
81.07032	2.7
83.04977	0.7
89.96754	0.5
91.05460	29.7
92.09274	1.1
93.07005	1.0
95.04940	0.7
95.08577	2.4
96.70245	0.6
97.06503	20.6
98.97577	2.5
99.60415	0.5
101.05995	2.4
107.04906	0.5
107.08569	2.5
109.06519	1.4
109.10158	0.8
112.14193	0.7
116.98621	1.3
117.07005	0.8
119.04920	18.9
121.06477	0.7
121.10130	2.2
127.09187	0.6
129.15068	0.6
133.10104	7.5
135.04416	0.7
135.08057	1.0
136.05162	1.2
137.05952	100.0
137.09566	5.4
163.03905	2.3
177.00630	0.8
233.11690	37.0
250.14311	2.4
253.00288	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	251.1637
Annotation	Deodardione
Peak:m/z	Relative Intensity
51.69560	4.7
53.03931	4.8
55.05508	12.0
57.03404	7.6
57.07047	5.7
59.04986	13.4
67.05488	28.4
69.03417	6.3
69.07043	43.4
71.04975	24.0
73.54336	5.8
79.05466	34.2
81.07041	68.7
83.04953	42.8
85.06535	7.5
91.05453	30.2
93.07014	100.0
95.04958	14.5
95.08613	29.8
97.06523	13.3
99.04454	8.8
99.27483	6.8
103.05443	7.0
105.07014	65.5
107.08577	46.0
109.06502	26.4
109.10134	12.5
111.04434	32.4
115.20712	6.5
117.06972	14.0
119.08558	42.7
121.06417	13.4
121.10117	86.9
123.08061	10.5
131.08548	15.5
132.54745	6.7
133.10126	37.4
135.11674	9.4
137.05984	10.3
137.09653	7.2
139.07593	6.8
145.06435	10.8
145.10080	45.1
147.08054	8.0
147.11662	15.9
149.09651	26.1
159.11720	9.2
163.11105	38.2
167.10641	98.0
173.09642	12.7
187.11093	9.3
187.14810	12.2
233.15321	10.1
251.16417	27.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1483
Annotation	Lyratol D
Peak:m/z	Relative Intensity
52.44611	0.8
52.77822	1.0
53.03927	4.6
55.01846	1.4
55.05494	9.6
56.96548	4.6
57.03418	2.4
57.07054	1.2
62.27446	0.9
63.98972	1.0
65.03934	1.0
67.01836	1.8
67.05490	23.5
69.03064	1.6
69.03409	22.7
69.07042	6.9
71.04972	2.7
75.04456	6.1
79.05463	21.0
81.07033	31.3
83.04970	10.8
83.08607	1.4
85.06528	2.0
91.05455	52.1
92.08672	2.1
93.07017	100.0
95.04949	17.8
95.08580	24.9
97.06496	2.4
98.97545	17.8
103.05435	4.2
105.07008	32.9
107.04934	1.7
107.08568	29.8
107.21410	1.0
109.02842	2.0
109.06503	15.9
109.10127	7.9
110.07285	1.9
111.04430	1.1
111.08076	15.0
115.05463	1.6
116.06187	1.3
116.98598	11.6
117.06982	6.5
119.04913	5.3
119.08553	43.9
121.06488	25.5
121.10115	32.8
123.08036	6.7
128.06198	2.6
129.06966	6.5
130.07779	1.4
131.08542	8.2
132.05624	1.3
133.06517	3.8
133.10094	16.8
134.99637	4.9
135.08018	13.3
135.11667	4.3
137.05931	6.0
137.09573	5.1
143.08565	7.5
144.05670	1.4
145.06436	2.2
145.10109	12.3
147.04417	1.6
147.08018	35.9
147.11664	7.7
149.05997	1.4
149.09570	5.3
156.09297	1.6
157.10097	2.7
158.99608	4.7
159.07970	4.4
159.11688	2.5
161.05945	2.6
161.09589	7.0
161.13219	7.1
163.14774	5.0
165.05446	8.5
165.06717	1.5
170.10902	2.6
171.11630	1.9
175.07454	8.8
175.14780	6.7
177.00652	8.1
179.06895	1.2
185.13220	2.5
189.09061	1.4
189.12721	6.4
195.11803	1.1
203.14314	8.3
213.12686	6.3
219.09558	2.4
231.13762	5.6
249.11154	5.8
249.14799	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	250.1435
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01857	2.9
55.05501	0.7
60.98564	0.6
67.05486	3.1
69.07052	28.4
79.05472	10.6
81.07068	1.1
83.04984	0.8
91.05457	37.9
93.07008	0.6
95.04955	0.9
96.01771	0.6
97.06507	27.8
109.06496	2.8
114.36956	0.5
119.04913	24.3
121.83874	0.6
135.04387	0.9
136.05203	1.1
137.05952	100.0
149.05975	0.8
161.72008	0.7
163.03882	2.6
233.11671	39.9
250.14372	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	249.1483
Annotation	4-(4,8-Dimethyl-2,4,6-nonatrienyl)-2,6-dioxabicyclo[3.1.0]hexan-3-one
Peak:m/z	Relative Intensity
53.03924	3.4
55.01841	2.7
55.05498	18.2
56.16785	2.0
56.96553	4.2
57.03409	3.1
67.05498	27.7
69.03405	36.5
69.07031	4.4
71.04984	3.9
75.04471	2.2
79.05470	24.8
81.07044	42.9
83.04961	16.0
83.08583	3.6
91.05457	56.8
93.07024	100.0
95.04929	18.5
95.08580	27.6
97.02856	5.0
97.06489	3.9
98.97550	42.5
99.45718	2.3
103.05450	3.1
105.07002	42.5
107.08588	36.4
109.02885	2.8
109.06477	20.0
109.10130	12.6
109.98310	2.5
110.07273	2.6
111.04424	4.3
111.08073	15.7
116.98586	24.8
117.07001	5.6
119.04947	3.7
119.08556	55.5
121.06480	26.0
121.10115	36.4
122.07285	2.7
123.08080	12.6
123.11629	3.3
128.06229	2.9
129.06953	3.7
131.08510	11.1
133.06493	9.3
133.10100	21.3
134.99629	6.0
135.08009	12.8
135.11649	2.9
137.05965	4.4
137.09616	5.6
143.08553	5.9
145.06477	3.6
145.10077	12.7
147.08018	53.6
147.11679	10.2
149.01164	3.0
157.10126	4.6
158.99577	5.8
159.08043	4.2
159.11673	3.8
161.09575	14.5
161.13193	9.0
165.05409	13.0
168.70822	2.2
175.07494	10.2
175.11081	2.8
175.14853	9.3
177.00693	12.8
185.13266	2.9
189.12743	5.1
203.14281	3.8
213.12721	3.4
219.09541	5.3
231.13812	9.8
249.10992	3.9
249.14822	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.1119
Annotation	2-Hydroxy-1-(7-methoxy-2,2-dimethyl-2H-1-benzopyran-6-yl)-ethanone
Peak:m/z	Relative Intensity
54.82028	5.1
55.01854	10.9
55.05495	26.0
56.96540	6.4
57.03418	5.0
67.05487	20.1
69.03417	8.3
69.07050	7.8
76.56633	4.6
79.05473	32.4
81.03391	4.5
81.07033	20.2
83.04967	11.5
85.02882	10.6
91.05448	61.2
93.07011	23.7
95.04930	22.0
95.08556	21.1
98.97563	48.9
103.05403	6.4
105.07005	84.5
107.04935	84.3
107.08582	9.7
109.10091	10.4
115.05388	7.9
116.98608	23.3
117.07000	22.6
119.04905	20.4
119.08560	28.8
121.06490	11.1
121.10104	11.8
123.08069	7.5
128.06168	54.8
129.06956	57.8
131.04875	8.0
131.08543	20.4
132.05702	32.0
133.06459	55.2
133.10101	27.4
134.99586	5.8
137.05981	5.3
142.07750	6.3
143.08566	24.4
144.05672	5.5
145.06421	20.4
145.10104	7.2
146.07231	50.5
147.04375	49.6
147.08081	7.9
147.11624	7.5
155.06082	4.8
157.06476	10.7
157.10037	7.1
158.99577	8.8
159.08011	10.2
160.05199	6.5
161.05943	6.1
161.09586	82.7
163.27202	5.1
164.04547	5.0
173.05902	6.7
174.06747	5.7
175.07634	5.7
177.00687	10.7
189.09044	62.7
217.08533	92.5
249.11143	100.0
249.14775	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	249.112
Annotation	Mycorradicin
Peak:m/z	Relative Intensity
55.01863	2.9
55.05510	5.1
56.96530	2.7
57.03433	3.0
57.07057	2.3
59.04974	3.2
64.71873	2.2
67.05486	4.6
69.03407	9.5
69.07051	10.6
71.04956	2.6
79.05465	6.1
79.70641	3.0
81.03374	3.8
81.07045	10.7
85.02881	11.0
91.05457	32.9
92.64144	2.4
93.07040	18.1
95.08572	5.7
97.02879	4.2
97.06493	3.5
98.97552	5.6
99.04446	2.8
105.07018	26.4
107.04935	2.9
107.08556	5.1
109.06509	10.1
112.83734	2.6
115.05444	15.2
115.07544	3.7
116.06225	5.8
116.98624	10.9
117.06998	6.0
119.08566	10.9
121.06521	4.9
121.10109	2.9
121.38890	2.5
123.04413	2.9
123.11713	3.7
125.08421	2.4
127.03940	2.7
128.06203	24.5
129.06955	44.4
131.04930	4.0
131.08519	41.7
133.06482	5.0
133.10143	5.3
141.07005	25.0
142.07753	12.3
143.08534	12.7
144.05678	19.2
145.06488	13.2
145.10130	10.1
146.07260	4.1
147.08057	4.5
147.11719	4.3
153.06953	4.6
156.05707	3.5
156.09290	5.7
157.06453	17.5
158.07249	4.0
159.08012	50.2
159.11668	4.0
161.05946	11.2
161.09576	19.9
170.07243	19.9
171.08052	13.5
171.11673	4.9
172.05180	4.3
173.05940	11.1
173.09552	3.8
175.07538	12.9
187.07480	24.6
189.05360	5.3
189.09062	19.1
191.03145	2.9
191.10736	3.1
198.06668	3.0
203.06877	8.9
204.07761	26.8
231.06456	15.4
231.10143	10.4
236.92703	2.6
241.74989	2.8
249.11159	100.0
249.14824	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	249.1119
Annotation	Microhelenin E
Peak:m/z	Relative Intensity
55.01828	0.7
56.96548	1.2
57.03420	1.2
57.86632	0.6
63.85456	0.7
65.03886	0.7
67.05463	0.9
69.03407	1.2
73.91505	0.7
79.05467	1.4
85.02888	1.1
91.05459	13.7
93.07049	0.9
95.04937	0.9
98.97572	2.9
102.39246	0.8
103.05441	1.8
104.94611	0.8
105.07018	8.0
107.04919	3.2
109.38827	0.7
115.05427	10.9
116.06227	7.6
116.98640	0.9
117.06993	7.1
125.89100	0.7
128.06198	17.5
128.98611	0.8
129.06972	39.8
130.07787	1.1
131.04881	4.7
131.08537	28.1
132.05682	1.5
133.06465	5.2
133.10121	3.3
134.52142	0.8
135.91245	0.7
140.44312	0.7
141.06963	19.6
142.07770	9.6
143.08549	6.0
143.09492	0.8
144.05673	18.4
145.06456	11.4
146.07253	6.7
147.04388	1.2
152.06139	0.9
153.06932	1.0
155.06013	1.9
156.05713	3.1
157.06448	18.7
158.07288	6.1
159.08012	44.1
159.09332	1.6
160.05161	2.9
161.05963	6.0
161.09581	8.9
167.06946	1.3
169.06331	1.6
169.07600	5.6
170.07210	17.0
171.04407	1.0
171.08005	9.1
172.05144	5.7
173.06003	7.2
174.06735	4.4
175.07457	5.1
177.05418	0.9
178.06181	1.8
185.05899	1.6
187.07487	22.1
188.08304	1.5
189.05421	8.0
189.09024	8.2
190.06186	1.2
191.07011	1.3
198.06726	3.1
199.07558	3.6
201.05434	3.8
203.07001	13.4
204.07793	19.4
205.08537	2.9
206.09235	1.1
216.07770	7.3
217.08467	1.2
218.09233	0.9
219.10056	1.0
221.11615	1.2
231.10072	6.0
234.08876	1.2
249.11154	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0371
Annotation	Unknow
Peak:m/z	Relative Intensity
52.69562	5.2
53.31468	5.5
53.38545	5.1
59.48662	5.2
60.10948	5.5
64.30541	5.5
110.21503	6.6
113.18204	6.5
148.56851	6.6
150.50906	6.5
161.02963	8.8
165.68793	7.1
219.80379	6.4
249.03673	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	249.0754
Annotation	Tournefolin B
Peak:m/z	Relative Intensity
55.01862	1.1
62.93684	0.7
69.03397	4.1
81.03387	1.2
81.07047	1.1
84.56776	0.8
85.02879	3.8
85.11550	0.7
86.09695	1.3
87.00795	0.9
91.05452	3.6
93.06956	0.9
95.04903	0.8
102.28782	0.7
105.07019	7.9
107.08537	0.8
115.05432	50.7
117.06993	6.7
119.04929	5.4
119.08504	1.2
123.04403	4.1
125.09610	1.1
128.06232	0.8
129.07018	1.1
130.04158	0.9
131.04863	1.6
131.08487	0.9
132.05663	3.0
133.06477	4.1
143.04897	100.0
144.05679	3.2
145.06439	3.1
146.03604	9.5
147.04381	11.1
147.07951	1.4
160.03838	1.3
160.05168	33.0
161.05951	48.9
171.04367	55.9
173.05916	0.7
173.79204	0.8
174.06778	1.0
175.07503	79.9
177.05455	0.7
179.06975	4.7
188.04659	3.3
189.05443	16.7
199.03976	1.5
203.06995	91.4
207.06465	0.9
213.02271	1.3
217.04903	16.9
221.08083	3.2
249.07512	50.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.2054
Annotation	(S)-Panaxjapyne A
Peak:m/z	Relative Intensity
55.05491	19.4
57.07056	7.5
58.72785	4.2
65.73249	4.4
67.05489	20.2
69.07048	9.5
79.05455	20.4
81.07036	85.0
85.06516	31.5
91.05431	11.9
92.64130	4.5
93.07026	82.4
95.08601	52.5
100.82182	5.3
104.99258	9.5
105.07025	50.4
107.08567	49.8
109.10136	28.1
113.02573	4.9
117.06966	5.0
119.08546	44.7
119.12004	4.4
120.51598	4.6
121.10094	46.9
123.11634	9.5
131.08546	32.3
133.10078	34.0
135.11644	30.7
145.10117	44.3
147.11653	45.0
149.13231	20.2
159.11685	46.6
161.13271	8.1
163.14758	19.2
173.13219	59.7
187.14894	6.3
189.16342	8.3
194.58432	4.7
203.17952	36.3
229.19444	87.9
232.80652	5.9
247.20491	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	247.1326
Annotation	Shizukanolide C
Peak:m/z	Relative Intensity
53.03927	8.6
54.81416	1.6
55.05501	6.6
56.37268	1.5
65.03931	3.7
67.05479	7.0
69.03410	22.2
77.57114	1.4
79.05471	12.6
81.07024	14.6
83.04968	18.6
83.69429	1.4
91.05463	19.2
93.03371	3.4
93.07020	24.8
95.04945	10.4
97.02876	3.0
98.97521	1.8
105.07014	24.2
107.04919	2.2
107.08574	21.1
109.02851	25.2
109.06512	15.4
109.10133	2.3
111.04451	2.9
115.05431	4.0
115.16346	1.5
117.06998	18.3
119.08544	31.0
121.02837	2.7
121.06478	28.9
121.10135	10.3
123.08087	2.4
125.09589	3.5
128.06186	2.8
129.06961	8.6
130.07751	2.9
131.08551	28.4
132.05692	3.3
133.10092	19.1
135.08026	37.4
137.05904	3.0
137.09552	2.0
142.07701	6.1
143.08527	22.4
144.09344	18.5
145.06419	11.5
145.10109	18.2
147.07999	2.6
149.09595	20.3
150.10378	2.5
151.11208	1.9
154.07672	2.2
155.08536	7.9
156.09302	1.9
157.10115	7.5
158.10852	24.8
159.08038	19.1
159.11664	40.9
160.08752	6.1
161.09610	2.4
163.07523	17.1
163.11143	2.5
168.09332	3.1
169.10078	2.0
170.10884	7.6
171.08017	13.5
171.11580	2.1
172.08784	24.1
173.09579	30.4
173.13206	49.3
174.37920	1.7
183.11668	10.1
185.13274	2.6
186.10336	35.1
187.11134	100.0
191.06960	19.4
191.32774	1.6
196.08798	7.0
199.07440	1.8
201.12706	47.2
205.12216	2.5
211.11134	6.9
214.09782	3.0
229.12167	36.0
231.98474	1.7
247.13229	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	246.1813
Annotation	Unknow
Peak:m/z	Relative Intensity
56.05037	0.6
56.96556	5.9
57.03431	1.8
57.05787	0.4
58.06590	31.3
58.99842	0.4
59.07370	4.6
60.08151	8.2
64.97775	0.3
69.00774	0.3
69.03418	1.7
69.27912	0.4
70.06584	0.8
71.04990	0.7
71.50605	0.4
72.08125	0.8
72.65857	0.4
79.27427	0.4
81.03410	1.7
82.06565	5.7
84.08128	13.6
85.02869	0.5
85.05276	6.1
86.03683	0.5
86.09686	0.4
87.04437	0.4
91.77127	0.4
98.09674	2.7
98.97575	3.7
98.98116	0.4
99.09236	0.4
100.07594	100.0
101.00856	0.8
104.10704	0.6
109.02851	0.5
110.05995	0.9
116.98614	2.5
117.02156	0.6
117.10231	71.7
118.08639	9.7
119.01917	4.1
120.01974	0.7
121.01630	1.0
127.08685	0.7
128.07085	3.0
128.98607	0.5
131.00217	0.5
131.01852	0.8
133.03438	2.4
133.35828	0.4
134.99646	1.0
137.02910	1.0
138.52965	1.5
139.00705	0.8
139.02565	0.6
141.00427	0.4
142.08632	0.7
145.03493	0.6
145.99692	0.5
146.01500	0.7
148.01328	0.5
150.99142	1.8
152.07013	0.5
153.00497	1.7
157.01668	0.5
157.03464	1.0
165.00717	0.6
169.09714	2.2
170.08121	2.2
174.97363	0.5
175.04478	2.3
177.00653	0.5
183.14847	0.6
185.03024	0.5
187.10733	0.8
190.02431	0.5
193.00211	0.6
199.02875	1.7
201.02547	0.7
202.02431	0.5
213.02570	0.6
213.52650	0.6
222.03096	0.9
223.44766	0.4
228.17177	0.6
246.18076	71.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	246.0605
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01867	20.0
56.05019	3.7
57.03424	2.2
57.28554	0.9
65.03941	1.1
67.05492	1.0
68.05029	1.1
69.03404	1.2
70.02943	11.9
71.01342	3.6
72.04500	11.0
73.02897	24.6
74.02419	24.7
80.04994	1.3
82.02910	9.3
83.01353	1.0
84.04474	7.5
85.02889	19.9
88.03979	5.0
92.08728	1.3
92.63277	0.9
95.01307	29.0
96.00813	1.1
96.04490	7.1
98.02407	7.6
100.03948	12.4
100.07603	2.3
101.02341	1.3
102.05531	9.4
106.02957	1.3
108.04430	1.5
110.02401	6.8
110.06022	4.7
110.46900	0.9
111.04422	4.0
112.03922	3.7
113.02336	6.7
121.02803	1.7
124.03926	5.9
126.05506	1.0
128.03409	74.8
128.07065	5.2
131.03381	1.7
136.03906	1.2
138.05447	9.6
139.03845	1.2
140.03441	3.7
144.02928	4.5
146.04405	1.2
156.06441	1.0
164.03410	5.9
170.04402	1.9
172.12778	0.9
174.03940	100.0
182.04507	1.5
200.05647	1.6
228.04959	7.8
235.66599	1.3
246.06073	13.1
258.44907	0.9
261.87949	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1535
Annotation	Methyl 3,4-dihydro-5-methyl-8-isopropyl-2-naphthalenecarboxylate
Peak:m/z	Relative Intensity
53.03925	5.3
54.81796	6.6
55.05500	7.9
56.96543	9.4
60.57452	6.9
64.17677	6.8
67.05494	30.3
69.03423	30.2
69.07066	15.7
72.93780	9.8
79.05484	29.8
81.07038	28.8
89.49966	6.6
90.94822	9.7
91.05470	66.0
93.07004	15.9
95.08582	40.0
97.02893	36.6
102.96912	10.3
102.97743	7.2
103.98121	7.0
105.07005	86.9
107.04935	8.3
107.08597	34.6
109.06468	8.7
109.10142	10.5
113.03476	10.1
116.97794	6.1
116.98582	10.1
117.06998	12.9
119.01918	11.2
119.08569	87.7
120.97881	13.9
121.06480	9.9
121.10099	14.6
128.06183	11.0
129.06978	12.4
130.07794	12.0
131.08574	81.7
133.10101	93.4
135.07965	6.8
137.05954	7.6
138.98979	11.7
141.07019	7.3
142.07719	25.1
143.08516	54.7
144.09361	6.9
145.10104	53.2
146.10910	41.5
147.08038	14.7
147.11665	100.0
148.12456	31.8
152.06334	7.3
156.09344	25.8
157.10089	52.2
159.08066	9.8
159.11647	10.2
161.09531	7.7
169.10130	13.8
170.10815	12.9
171.08011	45.9
171.11662	32.7
173.09654	14.0
179.08540	24.9
184.12418	26.3
185.09529	49.8
186.10413	10.8
189.09055	9.9
189.12698	10.1
194.10828	12.0
197.09634	28.6
199.11147	7.7
199.14766	50.3
203.18124	7.3
209.13191	26.6
212.11972	15.4
227.14293	58.0
245.15288	99.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1858
Annotation	H-ILE-LEU-OH
Peak:m/z	Relative Intensity
55.05495	1.4
55.93512	0.7
56.96556	2.1
57.03430	0.5
67.05492	0.9
69.03413	0.8
69.07042	0.8
70.02924	0.3
70.06567	0.5
71.04966	0.7
71.92963	0.5
72.93755	3.6
74.09273	0.3
74.64445	0.4
79.05468	0.8
81.03404	0.4
81.07046	1.7
83.04984	0.5
84.08134	0.4
85.02871	0.7
85.56250	0.3
86.06061	3.9
86.09691	100.0
86.92301	0.3
90.94804	4.5
91.05435	0.8
93.07033	0.8
95.04961	1.5
95.08575	0.7
97.02869	0.5
97.06522	0.6
98.97578	2.4
99.04403	0.5
99.08070	0.5
102.96863	0.7
105.07021	0.5
107.08579	1.7
108.95862	0.4
109.06499	0.6
109.10166	0.9
113.03505	0.7
113.96368	0.6
114.05514	0.6
115.07570	0.7
116.98601	0.7
119.08595	0.7
120.97849	0.5
121.10131	1.4
123.08125	0.4
127.03957	0.5
131.08595	0.4
132.10170	4.2
133.10129	0.7
143.08513	0.4
149.96068	2.3
161.02980	0.6
167.97096	3.1
172.97661	0.8
177.00642	0.8
191.14265	0.4
199.07419	0.4
199.18030	0.6
209.11743	0.4
209.15355	0.4
227.07045	0.7
227.16472	0.5
245.04453	1.6
245.12848	1.7
245.18619	5.6
262.74597	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0918
Annotation	Brunnein A
Peak:m/z	Relative Intensity
53.12194	0.3
55.93515	1.7
56.96540	0.6
62.31957	0.3
72.93763	8.1
81.07045	1.4
85.23698	0.4
87.35128	0.4
89.94010	0.8
90.94809	8.5
91.05444	0.6
98.97569	0.4
105.07049	0.5
107.08523	0.5
108.95860	3.0
113.03454	0.9
113.96357	0.9
116.98586	0.5
120.97854	0.4
125.96045	0.4
130.06506	0.9
131.04900	0.7
131.97400	0.7
134.05989	1.8
139.03856	0.4
142.03140	0.7
147.98621	0.4
148.07501	0.4
149.96088	4.2
150.96925	0.5
158.05968	3.0
162.05420	2.7
167.97136	6.1
171.09091	3.6
172.97676	2.0
175.08629	0.5
182.08325	0.7
184.06279	2.0
186.05446	0.5
190.98729	1.7
198.07892	0.8
199.08624	100.0
200.09077	0.7
204.06555	1.7
241.77072	0.4
245.09137	34.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.1508
Annotation	Unknow
Peak:m/z	Relative Intensity
51.92975	1.9
52.08060	1.8
52.91272	1.9
60.59412	2.0
91.05486	3.0
95.08590	2.8
102.96873	4.5
120.97914	3.8
171.52980	2.1
201.56921	2.5
245.15067	100.0
264.72714	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	245.0807
Annotation	CHEBI:69405
Peak:m/z	Relative Intensity
53.00288	0.1
54.01563	0.1
54.32698	0.1
64.61816	0.1
65.03928	2.7
67.05481	0.1
67.80490	0.1
71.01332	0.1
71.04965	0.1
72.93763	0.1
73.01097	0.1
79.05479	0.2
79.45661	0.1
81.07031	0.3
90.94685	0.1
91.05460	100.0
92.05830	0.1
92.09238	0.1
93.03394	0.2
93.07016	0.2
95.08579	0.1
98.97584	0.2
107.08591	0.2
113.45753	0.1
119.08524	0.1
120.97879	0.1
121.02844	2.2
121.06487	0.1
121.10133	0.3
135.11702	0.1
137.02257	0.4
149.02327	0.6
152.06187	0.1
153.06956	0.3
163.11098	0.2
167.03366	11.6
191.10725	0.1
227.07002	2.9
245.07997	0.1
253.56490	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	245.0805
Annotation	Unknow
Peak:m/z	Relative Intensity
51.34015	0.1
53.03931	0.2
55.05486	0.1
56.16647	0.2
57.07070	0.2
65.03925	1.6
69.07032	0.2
71.98267	0.1
72.93774	0.8
78.32761	0.2
81.03405	0.3
81.07056	0.3
90.94798	0.4
91.05458	100.0
95.08586	0.2
98.97545	0.3
102.96854	0.3
105.06994	0.4
107.04944	0.3
116.98517	0.2
121.02872	0.4
131.97490	0.2
154.23994	0.2
167.03375	1.5
194.12097	0.2
245.08044	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	245.0807
Annotation	2,2',3,3'-Tetrahydroxystilbene
Peak:m/z	Relative Intensity
55.05497	6.8
56.96549	3.6
58.82440	1.4
63.27824	1.5
66.15025	1.5
67.05475	3.1
70.80296	1.7
71.04981	2.0
72.93758	10.5
79.05492	1.7
81.07030	10.2
83.04955	1.8
83.08581	1.9
90.94801	3.4
91.05454	7.9
93.07024	7.7
95.04919	2.4
95.08612	6.4
102.96848	3.8
103.05432	2.4
105.07011	4.0
107.08576	6.7
119.08577	2.7
120.97884	4.2
128.06177	3.0
129.07021	3.0
131.04932	2.4
131.08615	1.9
137.55426	1.8
138.98930	6.2
144.05693	10.7
145.06476	2.3
146.07263	2.6
149.13194	2.3
149.71158	1.7
149.96126	3.2
153.56271	2.0
157.06465	8.6
158.07236	4.0
159.04410	6.3
159.08041	10.8
161.01730	3.4
165.05478	2.5
167.97163	3.8
173.52132	3.3
174.06734	36.1
175.03831	3.5
175.07481	3.2
182.02251	8.0
182.52609	7.7
185.05952	3.0
187.07530	4.1
189.09064	7.3
190.03694	3.1
201.05438	9.2
202.06226	3.5
217.08571	100.0
245.08008	67.1
245.22580	6.6
247.41490	2.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1013
Annotation	Pholidotol D
Peak:m/z	Relative Intensity
50.55484	0.5
53.03928	1.5
55.01854	1.1
55.05479	0.8
57.03416	0.6
59.24075	0.7
65.03910	0.9
67.05494	4.6
69.07031	0.7
71.04958	0.8
75.93038	0.5
79.05450	2.6
81.07018	1.2
83.01307	2.7
84.76089	0.6
91.05454	48.0
92.08720	0.8
93.07008	3.0
95.04950	8.7
95.08548	0.8
98.36458	0.6
103.05446	2.6
105.06981	1.3
107.04935	33.6
107.08590	1.0
115.05491	0.7
119.04916	36.1
120.05692	19.7
121.02857	4.5
121.06475	100.0
123.04392	12.2
123.11666	0.7
124.05137	2.8
125.05946	3.7
128.06194	0.6
131.04892	3.5
133.06444	2.5
133.10286	0.6
135.04355	4.1
137.05959	4.9
141.06952	3.2
145.06438	2.7
147.04280	0.9
147.55194	0.6
149.05954	67.6
150.06717	4.4
154.07735	1.4
157.06413	1.1
159.08002	0.8
165.06932	1.3
169.10118	1.0
178.07722	4.3
179.08531	13.8
181.06447	4.1
182.07207	11.6
183.08005	0.9
197.09555	7.9
201.09103	0.8
207.08015	2.6
210.06725	10.7
211.07472	2.5
215.10683	1.1
225.09108	5.4
227.06946	2.5
228.07779	11.3
243.10097	61.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	244.0664
Annotation	Unknow
Peak:m/z	Relative Intensity
54.40597	0.1
54.80936	0.2
54.81193	0.2
56.96551	0.4
57.37481	0.1
58.61814	0.2
61.59129	0.2
65.73849	0.2
65.86561	0.2
66.95001	0.2
74.08899	0.2
77.68272	0.2
82.99817	0.4
98.97541	1.1
100.02454	0.4
101.00847	11.9
101.97144	0.4
102.00945	0.3
102.96873	0.2
113.71709	0.2
116.98604	1.2
118.03522	0.4
119.01891	100.0
120.01960	4.8
121.01611	0.5
124.02411	0.3
133.82243	0.2
134.99603	1.0
135.99968	0.4
137.02925	49.5
138.03056	1.6
142.03473	13.5
143.01830	0.3
143.03616	0.3
153.00906	0.3
154.01089	0.3
159.99950	0.4
160.04518	5.9
161.02908	15.2
165.04997	0.3
177.00876	2.4
178.00999	15.2
179.00667	2.0
179.03970	36.1
180.04076	0.2
184.03062	0.2
184.04506	1.9
196.01999	0.3
197.99078	0.7
202.00938	0.4
202.05583	2.4
203.03964	1.0
216.90215	0.2
218.04118	2.3
219.02022	1.3
220.02075	15.8
221.01868	2.4
221.05008	2.8
226.00978	0.8
243.95709	0.2
244.01981	2.2
256.96057	0.2
258.99759	0.2
262.03122	34.6
263.02731	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	242.2838
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38194	0.3
56.96543	0.7
57.07060	4.8
58.06594	3.2
58.29610	0.4
66.56398	0.4
68.42110	0.4
70.24471	0.4
74.09687	2.5
85.47031	0.4
86.09644	0.5
91.05460	0.5
92.08685	0.6
98.97559	5.6
99.97865	1.7
100.10600	0.9
100.11227	21.3
107.04907	1.0
110.35557	0.5
111.34886	0.4
113.38074	0.4
116.98587	5.5
117.98946	1.7
118.96706	0.9
123.15180	0.4
124.43304	0.4
128.14290	2.2
129.05453	0.4
129.44650	0.4
130.15884	7.3
134.99634	4.7
135.99940	0.9
137.05923	0.5
142.15881	56.0
153.00706	0.5
178.00957	0.4
184.20566	10.2
186.22121	22.8
197.09615	0.5
242.28357	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	243.1013
Annotation	3-Methoxy-4',5-dihydroxy-trans-stilbene
Peak:m/z	Relative Intensity
53.03940	0.6
53.45837	0.4
54.42036	0.4
55.05507	0.5
57.32401	0.4
63.92083	0.4
67.05498	0.4
79.05482	4.6
81.07037	2.2
91.05447	0.7
91.35084	0.4
92.35004	0.5
94.04166	1.0
95.04949	2.8
95.08516	0.6
98.97618	0.6
105.07050	0.6
107.04935	100.0
109.06498	6.9
137.05954	61.6
184.31563	0.5
242.28403	0.8
243.10101	28.2
264.58865	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0658
Annotation	Unknow
Peak:m/z	Relative Intensity
53.91449	0.2
54.00225	0.2
61.66475	0.2
64.68674	0.2
69.03429	0.3
70.02944	2.8
71.01318	0.4
74.73110	0.2
76.95081	0.2
85.02892	2.2
88.03987	0.9
95.01308	100.0
98.97572	1.5
99.97932	0.3
106.81849	0.2
107.04945	0.9
108.05267	0.4
112.03964	0.9
113.02358	2.4
116.98632	1.0
123.04404	0.2
125.69535	0.2
134.06801	0.3
134.99625	0.2
138.05493	0.3
140.07104	0.3
154.04996	0.5
156.06381	0.2
161.09763	0.3
162.06303	0.3
164.03392	14.5
167.07010	0.8
168.07417	0.8
182.04443	5.8
196.04198	0.4
196.06021	13.3
200.09171	0.4
210.03838	0.8
217.16255	0.3
224.05540	1.4
242.06644	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	242.0868
Annotation	Unknow
Peak:m/z	Relative Intensity
54.33415	1.7
55.01871	21.1
57.03226	1.6
57.03430	28.9
58.06594	2.1
59.04969	4.1
61.02902	12.0
63.57224	1.7
64.34217	1.7
69.03416	14.1
71.01320	12.6
71.04960	7.8
73.02898	26.4
78.38618	1.7
81.03391	3.2
83.01325	9.1
85.02884	83.8
87.00800	2.3
87.04433	28.3
89.02383	11.2
91.03917	3.0
97.02882	18.9
99.04423	3.5
101.02346	50.8
103.03898	4.2
109.02859	3.3
111.00800	3.4
113.02346	3.8
115.03903	69.9
127.03886	16.3
129.01808	84.6
131.03430	2.2
133.04919	14.3
143.03348	33.7
145.04944	22.7
149.59044	2.0
157.01288	66.4
161.04402	38.7
163.05959	10.5
171.02866	2.9
175.02361	2.1
189.03906	100.0
204.86098	2.1
207.04993	4.7
224.07639	2.8
241.15396	4.1
242.15794	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	241.1544
Annotation	Unknow
Peak:m/z	Relative Intensity
56.70013	0.3
56.96557	0.2
57.68299	0.2
58.06586	22.9
61.02906	0.3
70.06580	3.7
77.87834	0.3
81.03373	0.4
84.08121	12.9
85.02882	0.4
87.06137	0.3
97.02875	0.3
98.09637	1.6
98.97545	1.3
100.11250	0.4
116.07009	0.4
120.96468	0.3
126.05477	0.5
126.09138	0.4
128.10689	5.0
144.10172	1.7
152.06912	0.3
154.50780	0.3
164.07025	0.7
164.60727	0.3
168.10161	1.4
196.09659	7.6
213.15924	0.4
241.15402	100.0
245.76195	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0705
Annotation	Eucomic acid
Peak:m/z	Relative Intensity
51.30626	0.2
53.03929	0.2
53.27640	0.2
54.31866	0.2
55.01859	0.5
55.05497	0.6
56.96551	2.1
67.05478	0.3
68.55276	0.2
69.03399	0.4
69.07050	0.4
70.06573	1.2
71.95261	0.2
72.98209	0.2
75.02225	0.2
76.36409	0.2
78.04704	0.6
79.05468	2.1
79.15257	0.3
81.03397	0.4
81.07006	0.4
83.04965	0.5
85.02889	0.3
85.06547	0.3
86.09686	0.3
91.05447	2.0
93.07030	1.0
95.01306	5.2
95.04934	0.6
95.08569	0.3
97.06482	0.5
97.10162	0.3
98.97562	13.9
103.05449	1.4
105.07008	13.6
107.04939	100.0
107.08594	0.5
115.05437	3.5
116.98599	16.7
119.04932	0.5
121.02814	0.3
121.06506	1.0
122.05976	0.3
123.04404	1.6
124.05206	0.6
131.04909	3.7
131.08521	0.3
133.06468	34.4
134.99637	12.4
135.04407	1.1
135.08066	0.3
149.05940	1.8
151.03882	1.0
152.04620	0.4
153.00685	2.2
158.01210	2.3
159.04385	4.0
160.05161	0.5
161.05949	33.0
164.03407	0.5
167.07010	11.9
171.05516	4.9
177.00670	2.6
177.05440	6.2
187.03883	4.0
195.01646	1.3
195.03047	1.3
195.06502	8.3
196.06050	0.6
205.04932	10.7
223.06027	1.0
241.07053	0.5
256.13202	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.1545
Annotation	Pirbuterol
Peak:m/z	Relative Intensity
50.20465	0.2
51.27910	0.2
54.91773	0.2
58.06587	27.4
58.11283	0.2
60.70070	0.2
70.06572	4.1
71.10834	0.2
72.08131	0.5
81.03409	0.9
84.08125	13.0
98.06039	0.4
98.09670	2.0
100.11233	0.3
102.75239	0.2
114.05503	0.5
116.07053	0.4
126.05443	0.3
128.10687	5.4
144.10173	1.4
158.08151	0.3
168.10161	1.4
196.09656	7.9
213.15958	0.4
241.15408	100.0
242.15868	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	241.0704
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01855	0.5
56.96544	1.3
69.07068	0.4
69.93961	0.3
70.06564	0.5
72.11775	0.2
74.83114	0.2
79.05464	1.6
79.79432	0.2
85.02885	0.4
89.22849	0.3
91.05445	1.4
93.02043	0.3
93.07004	0.3
95.04962	0.7
98.97555	16.5
102.03204	0.3
103.05444	1.4
105.07006	14.5
107.04933	100.0
108.05257	0.4
115.05441	3.3
115.06133	0.3
116.98602	14.8
119.04935	0.6
121.44787	0.3
125.47313	0.3
131.04878	3.9
133.06459	35.4
134.99623	9.5
135.04414	0.6
135.08011	0.4
149.05980	2.2
153.00691	1.8
158.01270	1.9
159.04375	3.2
160.05196	0.3
161.05940	30.4
171.05495	6.2
176.02304	0.3
177.00735	1.5
177.05414	5.1
187.03857	3.9
188.26448	0.3
195.01605	0.7
195.06479	6.8
205.04909	9.9
223.05952	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0839
Annotation	Unknow
Peak:m/z	Relative Intensity
50.21926	3.0
54.59839	2.7
55.01859	3.2
55.05480	4.1
55.45483	3.5
56.96548	5.0
67.05479	3.7
68.07312	3.1
69.03379	4.0
70.06606	4.1
71.04940	2.9
73.02885	3.1
73.74807	3.6
73.79937	3.3
81.03382	3.5
85.02875	7.6
85.06538	5.3
91.69788	3.3
97.02876	4.6
98.97562	17.5
99.04496	3.6
110.06023	20.3
110.59611	3.5
116.98635	6.4
122.05759	56.9
137.02289	5.9
153.05450	4.3
164.06770	27.5
182.07936	7.5
194.07838	62.2
194.11763	5.3
208.05750	13.9
222.07341	100.0
240.08435	36.5
240.12239	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	241.0679
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05505	3.6
56.09057	1.7
56.28703	1.7
56.38193	1.9
56.96550	10.8
64.61282	2.0
69.03410	2.7
69.07069	2.1
71.04984	2.9
79.05459	2.1
83.04958	2.1
83.25214	2.0
83.25718	2.0
84.06845	2.0
85.02896	3.8
91.05452	3.0
93.07025	12.6
95.08577	5.4
98.96922	3.6
98.97565	100.0
105.07001	2.8
107.08582	4.4
111.08054	2.7
116.98602	89.6
121.10084	3.5
123.08078	2.5
127.00002	2.5
131.08563	2.9
131.97423	5.0
134.37694	2.2
134.99632	57.1
135.08113	2.3
135.11635	3.5
137.09563	11.0
153.00732	8.4
158.01288	8.7
176.02361	2.9
177.00708	10.3
177.12692	4.6
177.78896	2.2
195.01767	8.8
195.06606	2.8
195.13760	2.9
226.06184	3.1
241.06726	63.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	240.0117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.32718	0.3
56.76135	0.3
57.56524	0.4
61.04074	0.4
76.56430	0.4
84.43903	0.3
92.08816	0.7
98.97523	0.5
100.02492	0.4
101.00876	0.6
119.01873	2.8
120.95309	0.4
137.02896	0.5
138.96370	5.6
146.19936	0.4
146.73190	0.4
154.94107	1.0
156.97444	93.6
157.63286	0.4
171.98225	0.5
172.95111	0.8
174.98492	100.0
179.98993	4.3
180.97421	0.6
198.00075	6.0
198.98506	18.8
216.01213	2.9
216.99542	56.0
217.44771	0.6
222.00153	0.6
240.01068	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
54.81009	1.5
55.05505	17.8
55.77361	1.4
57.03412	2.6
57.07060	7.8
59.00306	1.6
59.04981	2.8
66.89275	1.8
67.05497	17.8
69.03419	2.0
69.07056	28.0
71.04976	17.8
73.20837	1.9
79.05463	13.4
81.06547	3.6
81.07037	100.0
83.04958	3.8
83.08602	6.7
85.02897	4.0
85.06525	8.9
91.05435	14.7
93.07020	39.7
94.02894	7.5
95.04964	2.8
95.08584	37.3
97.06498	7.6
97.10135	1.9
98.97563	13.2
99.08080	9.3
103.05409	1.6
105.07005	36.6
107.08589	45.2
108.42807	1.9
109.06487	2.8
109.10149	32.2
111.08071	3.3
111.11686	3.6
114.88521	1.8
116.98586	8.2
117.07004	3.1
119.08556	65.4
121.10116	18.6
123.11682	11.5
125.09583	3.8
127.11164	9.2
133.10106	17.1
134.99649	3.9
135.11658	53.6
145.10106	2.9
147.11674	15.3
149.02312	4.2
149.13239	9.1
161.02904	2.3
161.13187	3.8
163.14658	3.0
165.12697	2.7
177.00555	2.2
191.17986	2.6
198.18500	33.2
203.17937	26.2
206.84155	1.8
221.11369	1.9
221.19020	16.6
239.06517	3.0
239.08839	72.7
239.17986	3.5
239.20071	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	239.2003
Annotation	2,6,10-Trimethyl-3,6,11-dodecatriene-2,10-diol
Peak:m/z	Relative Intensity
55.05504	22.2
56.96561	5.4
57.03430	3.2
57.07048	4.4
59.04979	12.1
59.58038	2.1
61.35952	2.2
63.17537	2.8
66.88396	2.5
67.05479	21.6
67.29257	2.5
69.03407	3.6
69.07056	27.0
71.04961	15.3
79.05476	16.4
81.07037	69.7
83.08580	6.1
85.06520	3.2
86.69743	2.8
91.05450	17.8
93.07036	39.9
95.08582	57.3
97.06496	4.8
97.10159	5.7
98.97552	14.5
99.08083	4.4
105.06993	29.9
107.08583	58.7
109.06525	5.0
109.10154	30.1
111.08112	3.9
111.11718	2.7
116.98557	4.9
119.08568	38.6
121.10123	11.8
123.08033	3.3
123.11648	22.1
131.08582	3.1
133.06467	3.6
133.10086	19.2
134.99634	4.0
135.11671	64.4
137.13248	18.6
139.11185	3.3
143.10675	3.5
145.10107	3.1
147.11694	12.4
149.13277	3.7
158.99724	3.9
161.05919	3.1
163.14789	6.9
175.98566	3.6
198.18477	37.3
203.17953	6.2
221.19006	12.3
226.48169	2.8
239.08856	100.0
239.20026	3.4
243.29976	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	239.0547
Annotation	Unknow
Peak:m/z	Relative Intensity
50.58082	1.3
55.01870	1.6
56.96532	1.8
57.07064	1.3
57.84281	1.8
67.05470	2.1
69.03404	2.0
69.07039	2.1
71.04974	2.4
79.05463	7.1
81.07028	6.5
84.08116	2.9
85.02879	1.8
91.05471	3.2
95.04928	7.6
95.08595	2.5
96.04427	2.4
98.97550	2.2
103.05439	56.0
106.06529	8.3
107.04940	18.0
107.06892	13.1
119.04925	7.3
121.06434	3.2
123.04413	3.6
124.03959	1.9
131.04893	100.0
133.04762	1.8
135.04376	3.8
136.04762	2.3
147.04369	50.3
147.05464	2.7
149.05965	35.9
151.03889	3.6
159.04388	30.7
165.05423	3.3
175.03851	58.7
175.05353	2.2
176.04628	2.8
177.05421	93.3
177.06969	3.2
178.05708	2.2
187.04994	6.3
193.03282	2.2
193.04926	21.2
193.06717	4.2
198.18449	3.7
203.03352	62.0
221.04402	50.5
239.05469	12.6
239.08861	94.8
242.93224	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	239.1123
Annotation	Unknow
Peak:m/z	Relative Intensity
52.54779	0.4
52.66442	0.5
53.03923	2.3
55.01861	3.0
57.03429	9.3
59.04998	5.9
61.02915	11.7
64.32903	0.4
66.14264	0.4
69.03413	23.5
69.22710	0.5
71.04965	3.1
73.02903	5.9
77.06039	0.7
78.29945	0.5
81.03403	9.0
81.07049	0.5
84.05907	0.5
84.08153	0.5
85.02888	100.0
87.04447	3.0
91.03937	3.8
97.02870	19.3
99.04421	4.0
101.02373	1.9
109.02860	8.7
115.03919	1.7
127.03893	12.9
136.06085	0.5
145.04942	11.8
145.90305	0.4
163.05983	2.3
212.74266	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	238.0919
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01861	18.8
57.03432	3.0
57.31469	2.5
57.71207	2.3
58.06574	3.1
60.04516	6.1
61.02919	5.5
61.04039	4.8
63.59180	2.7
66.34827	2.7
67.05461	3.3
69.03402	25.8
71.04972	19.8
72.28954	3.0
73.02904	6.9
81.03400	6.6
83.04964	17.0
83.45580	3.1
85.02888	22.6
95.01305	18.5
95.04951	3.5
97.02869	41.5
99.04435	28.5
102.94196	3.4
109.02885	4.3
111.04426	21.7
113.02341	100.0
115.03909	15.2
117.05448	26.8
121.02860	13.1
124.45779	3.3
125.02334	44.6
127.03915	6.1
129.05493	3.9
139.03885	20.1
141.01866	4.1
143.03435	12.3
146.05939	3.5
152.09166	5.4
155.03461	3.4
157.04959	6.8
160.06119	4.7
167.03407	19.1
169.57185	2.8
172.95227	3.5
185.04440	60.9
192.06476	5.2
196.08057	3.3
203.05550	23.4
205.83675	3.4
206.14973	3.3
220.06093	3.7
220.08054	6.3
238.07149	5.5
238.09148	9.7
259.49918	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	237.1847
Annotation	Farnesoic acid
Peak:m/z	Relative Intensity
53.03934	3.0
55.01852	3.0
55.05500	15.7
56.96551	9.2
57.03439	2.7
57.07067	3.2
59.04981	4.7
67.05500	21.2
69.03419	17.8
69.07047	18.3
71.04982	27.8
71.33024	1.8
73.80560	2.0
79.05471	35.2
81.07043	100.0
83.04945	2.5
85.06509	3.7
91.05467	32.1
93.07027	39.0
95.04951	10.6
95.08577	16.6
96.21358	2.1
97.06522	9.8
97.10125	3.3
98.97538	4.7
99.08089	32.9
105.07009	66.3
107.06239	2.3
107.08585	30.1
109.06504	19.0
109.10136	24.0
110.70157	2.2
116.98571	2.7
117.06982	3.6
119.08562	17.6
121.10131	16.7
123.11678	10.4
125.09611	5.1
127.07503	11.8
127.11178	13.2
127.65900	2.2
131.08546	11.2
133.10107	52.8
135.11664	10.6
145.10117	11.7
147.11665	9.3
149.13240	4.6
151.11131	19.0
155.10658	2.8
159.11664	5.3
161.13191	2.7
163.03865	2.1
163.11201	2.3
201.16316	2.9
205.85741	2.4
219.17400	8.7
237.18561	8.8
237.21317	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	237.1848
Annotation	Godotol A
Peak:m/z	Relative Intensity
51.19450	2.3
52.15601	2.3
53.00283	3.5
53.43468	2.3
55.01854	2.5
55.05499	21.0
56.96550	15.2
57.03428	4.0
57.07067	4.1
59.04984	3.1
67.05484	18.7
67.23814	2.3
67.90458	2.6
68.14281	2.3
69.03417	13.9
69.07045	15.9
71.04993	23.6
71.42866	2.5
79.05473	29.9
81.07039	100.0
83.04959	3.0
83.08620	2.8
91.05460	23.7
93.07047	37.0
95.04947	10.0
95.08587	23.5
97.06532	10.5
98.97564	10.2
99.08090	22.6
105.07011	68.1
107.08581	23.3
109.06522	12.1
109.10133	21.1
111.08072	2.8
116.98634	6.0
117.07015	4.2
119.08562	22.6
121.06459	3.5
121.10128	27.7
123.08067	4.3
123.11665	5.3
125.09610	5.6
127.07516	3.6
127.11172	11.4
131.08556	15.1
133.10104	47.1
135.08054	5.7
135.11650	5.5
140.66029	2.6
143.08501	3.0
145.10075	24.1
147.11708	13.8
149.13307	4.0
150.96890	5.6
151.11165	12.2
159.11682	15.6
161.13234	4.2
169.05128	10.8
173.13290	9.8
173.98512	4.5
186.10283	3.7
201.16364	3.9
219.17436	6.4
237.18430	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	237.1848
Annotation	(-)-Tremediol
Peak:m/z	Relative Intensity
50.21194	1.9
53.00301	3.4
53.03930	3.9
55.01855	2.3
55.05268	3.2
55.05504	47.5
56.16385	2.2
56.28397	2.2
56.96284	3.2
56.96554	73.7
57.03410	6.1
57.07055	3.3
59.04973	2.7
60.13741	2.2
67.05482	20.0
69.03416	4.6
69.07030	18.7
71.04981	30.9
73.06518	4.2
74.97582	2.4
79.05464	22.3
81.07037	56.3
83.04975	21.8
83.08600	4.3
85.02885	5.7
91.05439	25.5
93.07023	47.2
95.04952	10.2
95.06872	2.4
95.08585	30.4
97.02872	5.3
97.06528	22.6
98.97561	21.6
103.05434	13.8
105.07001	65.3
105.20751	2.8
107.08566	39.8
108.11597	2.4
109.06524	3.3
109.10130	20.8
111.08077	3.8
115.05463	3.8
116.98591	20.0
117.07002	4.1
119.08543	21.5
121.10105	38.5
123.04401	54.1
123.08079	3.6
123.11650	9.4
125.09564	2.9
126.01529	2.7
127.03874	3.1
127.11181	2.9
129.07037	5.5
131.00150	4.5
131.04907	28.3
131.08539	21.7
133.10100	100.0
134.99600	4.6
135.08003	3.2
135.11681	20.0
139.11191	3.9
141.03847	4.4
145.10100	26.0
147.11615	12.1
148.05141	13.2
149.01164	5.3
149.02319	4.9
149.03564	3.1
149.05984	3.0
149.09744	2.5
150.04387	3.6
150.96860	4.0
151.07507	2.7
151.11145	16.5
153.12709	11.8
159.11661	15.2
161.05969	4.2
161.13268	4.7
163.11206	4.4
163.72003	2.6
169.05133	12.4
173.04907	4.1
173.98535	3.2
174.06717	2.9
177.00615	6.0
178.05640	4.1
181.01672	4.3
182.04080	10.8
189.09050	3.0
191.04547	3.7
201.09114	3.4
201.16310	17.4
214.04916	11.1
214.55154	2.8
219.17358	17.4
237.14981	3.4
237.18333	21.2
241.03705	4.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1845
Annotation	Sirenin
Peak:m/z	Relative Intensity
50.29873	2.6
52.60757	2.5
53.00293	3.8
54.00285	3.2
55.01855	5.2
55.05503	49.8
56.96550	18.3
57.03412	2.6
57.07070	4.1
59.04969	5.6
59.77580	3.0
60.17018	3.1
61.05838	3.1
61.48103	3.2
64.53686	3.3
67.05482	24.6
69.03401	7.4
69.07047	23.1
70.70763	3.3
71.04977	43.0
73.06559	3.4
79.05465	22.2
79.23264	3.3
81.03418	3.5
81.07038	82.1
83.04963	29.5
83.08591	3.1
85.02887	7.9
85.06528	6.7
86.21717	2.9
87.80276	2.9
91.05467	42.1
93.07018	53.8
95.04931	14.5
95.08582	30.7
97.06512	18.1
98.97535	35.0
99.08061	8.0
103.05426	3.2
105.07012	78.7
107.04876	4.0
107.08605	38.9
109.06478	14.7
109.10123	33.5
111.08033	4.8
116.98591	29.7
117.06998	14.2
119.01777	3.9
119.08564	36.8
121.10139	43.1
123.08038	3.8
123.11658	16.7
125.09641	5.3
129.06985	3.5
131.08553	24.9
133.09077	4.8
133.10095	100.0
134.99620	14.8
135.11674	22.2
137.09558	4.6
139.11176	5.4
145.10106	36.8
147.11682	22.5
149.09660	3.8
149.13214	4.2
151.11151	12.6
153.12738	5.4
157.01714	3.3
158.99638	3.5
159.11671	24.0
161.13181	7.7
163.03932	4.9
173.13269	6.3
173.98398	4.9
177.00685	14.7
191.73871	3.7
201.16418	8.1
219.17349	20.4
228.10278	4.1
236.59148	3.8
237.14803	4.8
237.18402	25.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1482
Annotation	Norsecoswartzianin
Peak:m/z	Relative Intensity
50.65350	1.1
53.03929	1.8
54.52305	1.0
54.75268	1.2
55.01853	1.9
55.05502	13.4
56.96554	19.0
57.03417	1.3
57.07048	6.5
59.04982	3.2
67.05495	11.7
69.03371	1.5
69.07051	21.5
71.04964	10.0
79.05473	11.0
81.07037	24.4
83.01329	2.0
83.04957	11.3
83.08584	2.2
85.02894	14.2
85.06512	1.9
91.05469	15.5
93.07021	30.9
95.04954	14.8
95.08592	11.7
97.06505	11.4
98.97564	2.6
99.04432	6.1
103.05479	2.0
105.07016	18.5
107.08566	21.2
109.06494	29.8
109.10128	6.0
111.04450	1.7
111.08066	3.3
115.05447	1.5
116.98628	1.5
117.07006	8.4
119.08537	12.1
121.06480	18.3
121.10110	10.7
123.04356	2.4
123.08038	2.1
123.11678	2.8
129.06969	2.5
131.08548	15.0
132.71072	1.3
133.10043	11.8
134.99605	1.5
135.08051	17.8
135.11610	3.1
137.05945	19.2
137.09552	2.0
139.07533	6.5
142.07686	1.5
143.08533	1.9
144.09337	10.2
145.06425	1.7
145.10115	6.7
147.11656	2.0
149.13249	2.0
151.07529	10.6
153.09094	2.0
157.10074	1.7
158.10834	1.7
159.11658	38.2
161.09590	4.9
163.07489	12.6
164.08305	2.9
169.05067	2.3
173.13197	5.5
175.11143	1.6
177.05379	1.7
177.12627	10.0
178.05696	5.4
181.08524	21.9
191.14186	1.7
197.01164	3.2
201.16248	2.3
203.06947	2.8
219.13728	10.2
219.17484	5.1
223.02693	2.3
237.14798	100.0
241.03766	7.5
245.11655	2.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1118
Annotation	Carboxyibuprofen
Peak:m/z	Relative Intensity
55.29011	0.6
57.03430	1.7
62.62933	0.7
67.05485	2.0
69.03401	1.1
69.07032	1.2
71.04952	1.0
79.05464	3.5
79.41872	0.7
81.07034	5.6
86.56595	0.7
91.05459	11.9
93.07011	2.0
93.20270	0.8
95.08591	1.9
98.97605	1.1
99.31915	0.8
103.05427	1.6
105.07014	5.2
107.08560	1.5
109.06454	1.2
109.10151	1.4
115.05413	8.3
116.06227	2.0
117.06984	4.4
119.08572	3.2
121.10125	1.5
128.06186	11.3
129.06976	56.9
130.07771	1.6
131.04898	8.1
131.08536	39.0
133.10115	3.1
135.11694	1.4
137.05954	3.5
141.06969	37.5
143.04895	1.6
143.08591	1.3
144.05688	4.8
145.06465	6.5
145.09995	1.0
146.07266	6.0
148.05148	1.1
151.07538	1.0
151.11131	0.9
153.06975	0.8
153.78914	0.9
157.06461	26.9
158.07242	27.4
159.04405	3.5
159.08003	23.8
159.11575	0.8
160.05183	4.5
161.05936	1.3
161.09573	5.0
163.07553	1.0
169.06447	14.1
169.07635	1.1
170.07262	8.7
173.05951	6.0
173.09540	0.9
174.06725	83.8
175.07530	12.6
185.05911	1.3
186.06726	20.1
188.08287	3.2
189.09058	82.7
191.10640	4.6
201.09077	35.7
201.10892	1.7
219.10117	100.0
237.14815	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.1331
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	2.5
55.01856	2.8
56.96545	1.1
57.03424	7.4
57.07058	4.4
59.04964	0.4
61.02638	0.6
61.02917	12.7
68.78220	0.5
69.03415	25.6
70.66400	0.4
71.04984	3.8
73.02899	6.1
79.05463	0.6
81.03403	10.5
85.02891	100.0
87.04446	2.8
91.03951	5.0
91.05447	1.0
92.08662	0.6
97.02868	20.2
98.97567	6.7
99.04420	4.2
100.99609	0.4
101.02358	1.0
103.03965	0.5
106.06538	1.7
107.04933	0.8
109.02866	8.9
115.96441	0.5
116.98595	5.6
121.00761	0.5
127.03894	14.6
134.99651	3.6
135.04419	0.5
139.01788	0.5
145.04938	14.8
163.03917	0.8
163.06049	2.5
165.03371	0.6
172.94154	0.8
190.95195	1.5
191.03296	1.0
210.80539	0.6
211.65646	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	237.0868
Annotation	N-Formyl-D-kynurenine
Peak:m/z	Relative Intensity
50.91751	0.1
54.13602	0.2
56.96526	0.3
58.32608	0.2
62.35558	0.1
67.05491	0.3
70.06568	0.3
70.37751	0.2
71.04960	0.3
72.07773	0.3
72.08137	4.5
74.02024	0.4
74.02419	7.8
79.05467	0.2
81.03386	1.5
84.04445	0.2
84.08125	0.4
84.91035	0.2
85.02876	0.2
86.09642	0.2
91.05449	0.4
94.74435	0.2
95.04913	0.2
98.97551	1.1
106.04961	0.2
109.02850	0.9
115.27997	0.2
116.76053	0.2
116.98597	0.9
118.06506	1.9
128.04935	4.6
130.06503	0.9
132.04396	1.1
134.99644	0.3
137.05879	0.2
146.05981	100.0
147.06342	0.2
148.03923	0.7
156.04456	0.2
158.05936	0.8
163.05782	0.3
173.07115	0.3
174.05417	2.0
174.12766	1.6
176.07117	0.2
178.04942	0.4
179.22748	0.2
191.08093	0.8
202.04933	0.4
219.07666	0.4
220.06006	0.5
220.13280	0.4
237.08653	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	236.1126
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05514	4.1
55.57939	2.0
56.05025	2.5
61.28441	1.8
67.05501	3.3
68.99771	5.3
69.07053	83.9
71.17334	2.2
73.06532	5.3
79.05484	3.3
81.07043	4.0
83.04951	2.5
87.00815	100.0
87.01352	3.3
87.08094	12.2
91.05457	3.7
93.07030	3.0
97.06486	3.5
98.97551	9.4
103.41944	2.9
105.01842	10.6
105.06993	4.0
107.08522	2.9
111.04454	4.1
115.07547	3.0
119.08569	2.8
120.08904	3.1
129.05562	3.0
132.05780	2.3
133.10077	4.4
156.07352	3.2
173.08041	32.0
175.08604	3.0
177.00656	3.3
201.07639	4.4
206.35335	2.5
218.11047	2.8
219.11052	3.6
235.16982	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	235.169
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
53.03922	1.7
55.05263	1.9
55.05503	24.4
57.07058	12.4
59.73849	1.7
65.09057	1.9
67.05495	25.8
69.03423	2.4
69.07050	26.7
71.04959	3.3
79.05476	17.6
81.07040	50.5
83.04961	7.2
83.08592	4.4
84.05305	2.8
85.06490	2.8
87.10271	1.9
91.05453	29.1
91.06332	1.8
92.09310	6.0
93.07021	64.0
95.04961	4.4
95.08582	85.7
97.10088	2.3
100.80169	1.7
101.05983	2.1
105.07008	62.4
105.07664	3.7
107.08571	92.4
109.06499	4.4
109.10129	37.1
111.04417	10.5
112.04775	13.4
113.05926	2.2
119.08547	76.6
121.10104	22.8
123.08025	1.8
123.11646	2.9
125.09595	4.0
131.08543	3.8
133.10101	73.0
135.11662	40.3
139.07527	8.7
143.08487	1.9
145.10078	3.7
147.11662	51.6
149.13269	2.6
153.09056	4.3
155.07028	3.1
156.07303	16.7
156.09340	1.9
157.10092	4.0
159.11685	2.0
161.09555	6.8
161.13188	15.6
165.09097	4.0
173.08150	2.0
173.13245	7.6
174.08372	15.3
175.11198	3.8
175.14813	10.3
179.10657	10.3
189.16339	100.0
193.12227	2.3
199.14789	4.1
217.15807	31.5
218.11029	30.9
235.16852	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	235.1689
Annotation	1(10),4-Cadinadien-14-oic acid
Peak:m/z	Relative Intensity
52.75374	1.1
54.83318	1.0
55.05500	9.4
57.07052	6.4
67.05488	16.5
69.07052	18.8
78.14032	1.2
79.05466	18.0
81.07032	25.1
81.61134	1.0
83.04946	5.2
83.08582	2.2
88.07590	2.9
91.05453	21.6
91.28111	1.2
92.08774	2.2
93.07022	22.4
95.04909	5.1
95.08574	24.0
97.06489	1.2
101.06009	1.6
105.06348	2.1
105.07004	36.5
107.08571	27.6
109.06479	5.5
109.10131	12.1
111.04401	10.1
111.08049	1.2
112.04742	7.7
119.08545	19.8
121.06480	1.8
121.10132	9.1
123.04396	2.6
123.11687	5.1
131.08510	3.0
133.06456	2.1
133.10094	55.6
135.07957	1.6
135.11626	1.4
137.05975	2.3
139.07504	2.3
143.08548	2.1
145.10121	4.5
147.07973	1.5
147.11646	20.2
149.13220	7.9
151.07539	2.3
151.11165	2.0
153.23878	1.2
155.06949	2.4
156.07320	9.5
157.10066	2.0
159.11659	1.5
161.09550	15.0
161.13194	2.9
165.09106	2.9
173.08148	1.9
174.08389	5.5
174.10034	1.1
175.11166	2.2
175.14772	1.7
178.42999	1.1
179.10637	13.2
186.18456	2.1
187.18849	5.2
189.16365	18.9
192.11447	2.8
193.12283	2.1
199.14719	1.9
206.15514	1.1
217.15820	12.9
217.77397	1.3
218.10979	14.9
234.20511	1.6
235.16862	100.0
235.20868	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	235.1691
Annotation	(E)-endo-beta-bergamotenoic acid
Peak:m/z	Relative Intensity
52.90589	2.0
54.17525	2.1
54.78362	2.0
55.05500	15.5
57.07079	2.9
59.04990	2.7
64.40473	2.5
67.05493	26.2
69.07052	17.2
71.04976	41.2
71.92053	2.2
73.06542	11.7
79.05470	24.2
81.07030	68.3
82.95563	2.5
83.04967	15.2
83.08622	5.3
87.54653	2.4
89.04955	2.3
89.06014	10.1
91.05451	31.4
93.07025	52.6
95.04951	18.2
95.08595	32.9
105.07009	61.9
105.07659	3.7
107.08572	100.0
109.06506	12.4
109.10146	35.0
111.04461	3.8
111.08067	19.0
112.04754	3.8
117.07063	3.8
119.08573	48.6
121.10136	25.1
123.08080	3.3
125.09614	21.8
129.07010	3.2
131.08548	18.2
133.10153	24.6
135.11670	43.4
139.07498	3.0
142.07770	3.0
145.10115	20.2
147.08054	3.6
147.11670	62.9
148.19734	2.9
153.12726	23.0
156.07356	9.5
157.10094	4.8
159.11638	3.1
161.09619	5.4
165.12798	3.7
172.53581	2.6
174.08534	4.5
175.11165	5.2
175.14865	11.4
189.16324	34.3
217.15814	22.1
218.11055	17.5
222.09889	2.6
235.16879	37.6
249.16153	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	235.0712
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05507	0.8
69.03396	0.4
72.67544	0.5
74.02424	0.9
79.05469	0.9
83.04939	3.3
83.82694	0.5
85.02882	0.9
85.06484	0.9
89.06034	0.5
91.05454	0.5
101.05951	0.5
105.05717	0.6
106.06521	4.9
111.04399	4.5
112.04739	0.9
112.52107	0.4
116.04965	0.9
118.06493	0.7
128.07843	0.5
129.05505	0.5
129.18411	0.5
132.04431	0.8
133.05217	6.7
133.07590	9.3
134.05994	26.7
143.04958	0.9
143.06020	9.2
144.04431	3.5
146.05980	2.5
155.05991	1.7
155.07059	2.4
160.06204	0.6
161.04836	4.4
161.07071	19.2
162.05469	100.0
171.05493	73.4
172.03973	3.3
172.06284	4.9
173.07053	3.3
173.08119	2.7
174.05441	2.0
174.08469	0.7
189.06555	33.3
217.06062	22.9
217.10619	5.5
218.11009	2.8
235.07127	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	233.063
Annotation	Unknow
Peak:m/z	Relative Intensity
54.03530	1.1
55.05496	1.4
56.96560	19.8
61.40523	1.3
63.49925	1.3
69.03400	5.9
70.06577	2.1
71.01318	1.2
72.08131	12.5
84.08134	10.2
85.02879	2.5
97.02776	1.5
98.97530	2.1
100.10310	1.2
111.04440	1.7
111.87221	1.3
113.02328	1.6
116.98606	1.4
119.01875	6.3
126.09155	1.9
128.98550	2.3
130.05875	1.2
144.10176	2.8
144.97974	1.5
146.99654	1.9
147.28035	1.3
157.25607	1.3
162.99065	3.1
172.09627	2.1
190.98625	1.7
200.09140	1.4
208.99615	2.8
209.91679	1.4
233.06267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0421
Annotation	Unknow
Peak:m/z	Relative Intensity
53.53233	70.1
57.60159	80.8
64.79527	71.1
65.13952	66.4
68.41846	72.1
69.84167	76.3
73.47346	82.7
74.71771	74.8
76.56435	75.5
112.85373	79.0
123.04147	82.9
129.31664	82.3
167.99376	69.9
233.04285	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	233.0628
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05495	1.8
55.43047	1.1
56.96554	13.4
58.39912	1.1
59.07383	0.9
65.40549	0.9
69.03405	2.0
70.06572	1.9
72.08138	17.6
72.24258	1.1
73.84019	1.2
74.72773	1.2
83.04963	1.2
84.04473	2.4
84.08121	9.3
85.02869	4.3
97.02890	1.5
98.97535	1.4
119.01896	4.2
123.24997	1.2
128.03355	1.2
144.10117	2.1
146.99614	2.6
160.07600	1.4
161.02921	1.0
165.00729	1.4
172.09622	1.7
190.98669	1.7
208.99664	2.2
233.06267	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	231.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
52.60655	1.3
53.03938	5.8
55.05506	38.2
55.59351	1.1
56.96553	1.3
57.03423	2.9
57.07062	1.4
59.04979	1.3
62.12836	1.1
66.91311	1.3
67.05486	2.5
68.99778	2.3
69.03412	10.1
71.04977	8.2
71.08611	2.4
72.08139	10.3
79.05477	32.2
81.07039	100.0
83.04964	12.6
83.08598	5.3
85.02869	3.2
85.06525	8.3
87.00820	38.0
88.56525	1.2
92.08704	1.9
93.07014	2.4
97.02858	2.7
98.97588	3.3
99.04456	2.4
99.08092	2.4
105.01827	2.2
106.52076	1.5
107.08549	2.1
109.06501	36.2
109.10139	1.5
116.98594	3.4
117.03350	2.7
119.01844	2.1
127.07533	27.1
145.02855	2.2
145.08589	7.7
145.35783	1.4
149.13184	1.4
158.09630	5.6
158.99632	2.7
161.02988	5.7
166.98035	1.4
177.05441	3.3
183.79886	1.4
189.04250	1.9
231.08670	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	232.1542
Annotation	Butyryl-L-carnitine
Peak:m/z	Relative Intensity
50.69398	0.2
57.03423	1.7
58.06587	0.2
60.07867	0.3
60.08152	6.2
70.01740	0.2
71.04964	2.4
76.61895	0.3
85.02886	100.0
98.09639	2.0
110.55602	0.2
140.10703	0.3
142.23503	0.3
142.44482	0.2
144.10155	1.9
150.10812	0.2
158.11696	1.2
173.08040	5.1
186.11206	0.5
214.10689	1.0
232.15388	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	231.065
Annotation	2,4,6-Trihydroxybenzophenone
Peak:m/z	Relative Intensity
53.03933	1.4
53.70189	0.3
54.60867	0.2
54.81453	0.3
55.05507	0.5
56.88666	0.2
56.96547	0.6
66.66492	0.3
67.01853	2.0
67.05483	0.6
68.99770	1.4
69.03416	2.8
69.07043	0.6
79.05471	0.5
81.03426	0.3
81.07033	1.2
85.02889	0.6
89.22775	0.4
91.05481	0.6
93.07032	1.7
95.04933	4.1
95.08579	0.5
97.02856	1.6
105.03369	27.2
105.06985	0.3
107.08569	0.5
109.10136	0.5
116.98656	0.3
119.69321	0.3
121.06445	0.4
121.10131	0.3
135.11673	0.3
143.08522	0.3
153.01804	100.0
161.06015	0.3
171.02858	0.3
187.93028	0.3
226.97058	0.4
231.06473	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	230.99
Annotation	Unknow
Peak:m/z	Relative Intensity
55.10145	8.0
58.06574	10.7
58.79563	10.3
70.06573	100.0
71.06920	15.2
72.31220	9.3
77.99878	9.5
84.08131	43.1
85.02918	10.8
110.24365	9.0
128.10667	21.5
142.08614	24.5
143.08943	45.1
185.12811	46.7
213.03676	63.8
223.23050	10.8
230.15739	96.7
230.98895	38.4
231.04628	72.7
231.13318	96.5
231.15697	18.8
235.08220	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	229.1546
Annotation	H-Pro-Leu-OH
Peak:m/z	Relative Intensity
51.29671	0.4
55.01870	0.4
57.03418	0.5
57.49728	0.4
58.06589	8.0
59.07366	1.9
60.08148	8.5
60.49669	0.3
66.73151	0.4
68.05019	1.6
70.06574	55.1
82.28374	0.4
82.52155	0.4
95.01249	0.5
96.08098	2.3
98.06017	0.9
110.36578	0.4
114.05512	6.9
114.09166	3.5
115.37950	0.4
116.07049	0.9
119.73752	0.4
124.07556	5.6
126.09119	0.8
127.77409	0.4
142.08612	48.9
153.94131	0.4
170.08078	1.8
229.15425	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
52.05247	0.2
55.01871	0.6
57.03424	0.2
58.06589	9.1
59.07362	2.3
60.08151	10.6
60.27605	0.2
61.45576	0.2
61.69482	0.2
68.02233	0.2
68.05003	1.3
70.06576	55.7
70.54877	0.2
72.08153	0.3
80.91545	0.3
92.10278	0.3
96.08121	2.7
98.06062	1.0
114.04784	0.5
114.05509	7.1
114.09157	3.5
116.07060	1.7
124.07570	6.1
126.09129	0.9
142.08615	52.6
153.70108	0.3
170.08043	1.9
196.15567	0.3
229.15433	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1546
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.7
55.53219	0.3
58.06310	0.4
58.06586	9.0
59.07362	2.7
60.08145	10.5
61.17535	0.3
68.05002	1.7
70.06574	61.9
73.51042	0.4
85.06544	0.4
86.06007	0.5
92.08656	0.6
95.06049	1.5
96.08093	2.8
98.06012	0.5
99.70506	0.4
107.40822	0.4
114.05514	7.4
114.09130	3.6
116.07074	0.8
124.07577	4.7
126.09135	0.9
136.23840	0.5
142.08609	51.9
170.08067	2.6
183.11246	0.7
194.18687	0.4
202.81856	0.4
215.26395	0.4
229.03101	0.4
229.15427	100.0
235.41045	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	230.2477
Annotation	Lauramine oxide
Peak:m/z	Relative Intensity
55.05524	0.7
57.07069	31.3
58.06579	5.0
60.30260	0.6
62.06080	13.3
71.08624	10.3
73.00871	0.7
85.10154	3.9
92.09389	1.6
106.38585	0.8
132.34062	0.8
171.10706	0.9
190.39276	0.9
212.23708	8.3
230.24759	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1433
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
53.03929	1.5
55.01863	13.8
55.05498	14.7
56.96557	5.6
57.03419	3.3
60.60704	1.3
60.61012	1.4
63.19566	1.3
67.05488	37.5
69.03389	1.6
69.07053	19.6
69.11887	1.3
71.04961	3.2
74.25382	1.3
79.05470	22.1
81.07039	77.6
83.04947	8.6
83.08586	8.5
85.06516	8.4
91.05460	42.4
92.09310	4.9
93.07012	17.3
95.04919	9.8
95.08579	15.4
97.06509	19.4
99.08076	2.0
105.07005	47.1
106.27708	1.4
107.04927	12.6
107.08545	14.8
109.06511	12.7
109.10149	2.9
113.06010	3.2
115.05470	1.7
116.00163	1.8
119.08558	41.3
121.10117	27.8
123.04400	1.6
123.08064	6.5
123.11681	32.4
129.06981	13.0
131.05005	1.6
131.08534	6.8
133.10110	15.1
142.07788	2.6
147.08049	2.3
147.11659	100.0
149.09578	7.3
157.10100	31.7
165.12724	33.0
175.11124	28.6
193.12282	6.4
228.23314	2.0
229.08429	2.4
229.14285	84.3
249.15518	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.1432
Annotation	Ieodomycin C
Peak:m/z	Relative Intensity
52.41269	0.6
53.03946	0.7
55.01842	0.8
55.05498	5.2
56.96549	0.9
57.03433	1.0
57.07059	3.8
59.20015	0.6
59.32849	0.7
61.36905	0.6
65.03909	0.8
67.05492	12.3
69.07056	19.8
71.04978	8.2
79.05470	10.5
80.71883	0.7
81.07036	20.8
83.04938	5.1
83.08603	0.9
85.06524	6.2
91.05460	49.3
92.05771	7.4
93.07017	25.2
95.04950	10.2
95.08579	2.9
97.06503	1.3
98.97588	0.8
105.07011	32.1
105.55748	0.8
107.08564	12.9
109.06505	27.9
109.10143	8.6
112.99133	0.9
113.05999	2.9
119.08546	9.5
121.06536	0.8
121.10108	4.0
123.08056	0.7
123.11681	3.8
127.07579	1.1
131.00163	3.1
131.08563	6.7
133.10101	100.0
137.05940	9.6
141.05476	0.9
143.00134	0.9
147.11661	21.7
149.09627	1.5
151.07556	1.5
151.11157	61.6
155.07004	13.9
157.10152	0.9
165.12750	4.5
175.11172	6.7
193.12196	23.5
211.13252	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	229.0858
Annotation	cis-Resveratrol
Peak:m/z	Relative Intensity
51.53248	0.7
53.03930	1.0
55.01857	1.7
55.05487	4.0
56.96542	3.3
57.03411	1.7
57.07060	1.6
57.35205	0.6
57.49637	0.7
65.03903	0.9
67.05491	6.7
68.99772	3.2
69.03401	4.2
69.07042	3.2
70.06577	1.0
70.07346	0.9
71.04967	6.6
79.05473	7.9
81.03391	3.1
81.07045	6.5
81.16711	0.8
83.04970	1.0
83.08594	1.0
85.02880	1.0
85.06527	0.9
91.04890	1.2
91.05460	38.2
92.37633	0.8
93.07012	3.3
95.04939	4.5
95.08585	5.4
97.06506	1.4
98.97554	7.4
99.04403	4.7
105.07005	1.8
107.04936	100.0
107.08582	4.1
109.02836	3.4
109.10126	4.1
111.04407	4.3
111.08123	1.0
113.76437	0.9
115.05381	1.0
116.98586	4.8
117.06968	1.0
118.67982	0.8
119.04900	23.9
119.08532	3.0
120.05708	11.9
121.02828	5.2
121.06469	0.8
121.10106	1.2
123.04386	5.3
123.11688	3.0
125.09587	7.6
129.06929	1.7
133.10127	1.9
134.99591	0.9
135.04388	39.5
135.11668	0.9
136.05171	4.9
137.09627	1.1
141.06981	3.8
145.06464	3.9
153.06963	4.0
155.08495	6.7
157.06569	0.9
165.06961	18.2
168.05721	1.1
177.00668	1.2
181.06445	0.9
183.07990	9.1
187.07565	1.0
193.06395	1.6
201.09019	1.4
211.07491	3.4
211.16925	3.4
229.08565	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	229.1069
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.4
55.01862	0.3
55.05480	0.4
56.96539	1.5
61.02221	0.2
66.04681	0.2
67.05471	0.3
69.03403	0.5
69.07050	0.4
70.06564	0.4
71.04955	0.3
72.08138	0.3
78.04696	3.3
79.05472	1.9
81.03368	0.3
81.07031	0.4
83.04963	0.3
84.08096	0.4
85.02877	0.4
86.09683	0.4
91.05440	2.5
93.07022	2.0
95.04922	1.7
95.08564	0.4
96.05742	0.3
98.97533	0.9
103.05413	1.6
105.03407	0.3
105.04483	0.2
105.06990	1.3
106.04179	2.2
107.04912	1.6
109.02850	0.5
109.06493	0.4
109.10160	0.4
116.98573	0.3
119.04939	0.4
120.02091	0.3
121.06469	2.6
123.04395	8.9
124.05182	3.7
133.06468	0.9
134.03615	0.4
135.04378	0.3
137.05936	1.1
139.07584	0.3
149.05968	2.8
151.03860	2.5
152.04678	2.4
157.32733	0.2
161.05975	0.9
163.97437	0.2
166.06247	0.9
167.06992	100.0
168.07364	0.3
180.07822	0.2
181.08563	1.4
186.25729	0.2
193.08548	1.5
211.09570	0.9
229.23546	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.2683
Annotation	n-Pentadecylamine
Peak:m/z	Relative Intensity
57.06821	0.3
57.07064	9.5
58.06573	1.7
60.08149	32.9
71.08607	3.9
72.12536	0.3
75.02005	0.3
85.10132	1.4
85.48344	0.3
111.84987	0.4
135.25111	0.4
145.20868	0.3
159.94972	0.4
197.67760	0.3
211.63226	0.3
221.82861	0.4
228.26814	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	229.0858
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11555	0.6
50.62889	0.7
51.77974	0.7
54.30085	0.7
55.01857	1.7
55.05489	1.6
57.03421	1.3
57.07056	1.2
65.03919	1.4
67.05480	5.2
68.99769	4.6
69.03407	1.1
69.07037	2.0
71.01324	1.1
71.04974	1.9
76.56361	0.8
78.22245	0.8
79.05475	7.7
81.07024	3.6
82.38673	0.8
83.08592	1.1
91.04881	1.4
91.05456	38.1
93.07026	2.0
95.04926	6.3
95.08581	4.7
98.97578	1.9
105.06942	3.3
107.04938	100.0
107.08592	6.5
109.02850	4.7
109.10131	1.4
110.03648	1.0
111.04415	4.4
115.05434	1.1
116.98600	1.3
119.04906	21.4
119.08504	1.2
120.05690	12.6
121.02846	6.5
123.04384	4.4
129.09061	0.9
131.04929	1.7
131.08574	1.1
133.10088	1.3
135.04396	39.6
135.11693	1.8
136.05215	6.1
141.06944	3.7
145.06471	3.7
153.06958	5.4
155.08481	6.2
156.70581	0.8
159.08032	1.2
165.06955	23.3
168.05669	1.3
175.14767	1.2
183.07991	9.6
193.06451	1.7
193.15880	1.2
210.06668	0.9
211.07503	5.5
211.16792	1.4
228.17480	0.9
228.23190	1.8
229.08548	43.5
229.14073	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Blumenol B
Peak:m/z	Relative Intensity
50.00204	1.3
53.03928	2.3
55.05503	25.0
56.96549	2.6
57.03424	10.4
57.07062	10.8
59.04987	6.3
67.05495	11.6
67.76558	1.4
69.03418	3.4
69.07053	21.5
71.04978	22.7
72.05334	1.7
72.93781	3.2
73.06538	1.7
79.05471	13.1
81.03404	8.4
81.07037	30.3
82.03740	8.8
83.04983	8.5
83.08620	11.9
85.06521	16.1
86.06870	2.1
91.05457	15.8
92.64360	2.0
93.07024	34.9
95.04946	100.0
95.08572	13.8
97.06509	28.7
97.10146	2.9
98.97552	2.6
99.04453	7.5
99.08066	19.5
103.05453	2.2
105.07000	34.9
107.08583	27.5
108.38235	1.7
109.06506	47.3
109.10151	15.1
110.03171	1.9
111.08067	9.8
113.05995	6.3
113.96338	2.6
114.06334	6.8
115.07552	7.2
117.07045	2.8
119.04906	2.0
119.08543	23.8
121.01671	3.1
121.10115	47.9
123.08048	6.1
123.11702	6.3
125.09618	10.7
127.07534	6.5
131.08595	11.8
131.97449	3.3
133.10107	51.6
133.11125	1.8
135.08064	8.4
135.11703	4.0
137.09581	3.1
139.01772	2.6
139.11168	2.1
142.05830	7.3
143.10689	3.0
145.10159	6.7
147.11673	22.9
149.05893	2.7
149.09641	3.4
149.13237	4.1
153.09109	19.1
158.10863	3.6
163.01749	2.4
163.14877	2.1
165.12767	2.0
167.07018	11.6
171.10123	9.9
173.13222	19.8
177.05431	2.0
181.02864	10.1
186.47942	1.8
191.14262	13.7
209.07939	2.6
209.15347	15.9
210.10612	2.2
227.16310	30.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.0501
Annotation	5-(2'-Carboxyethyl)-4,6-dihydroxypicolinate
Peak:m/z	Relative Intensity
57.69627	0.2
59.48287	0.2
69.03410	1.0
70.02938	4.5
71.01344	0.2
78.22446	0.2
78.78764	0.2
79.03988	0.2
85.33970	0.2
88.03969	1.7
95.01307	100.0
96.43143	0.2
98.02412	0.4
99.00785	2.5
103.39043	0.2
108.72039	0.2
112.03946	8.0
113.02338	0.9
120.30926	0.2
138.05498	0.5
160.31604	0.2
164.03413	1.4
165.79324	0.2
168.02855	0.3
182.04448	13.3
210.03947	7.2
228.05026	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	228.1076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	3.6
55.01651	0.7
55.01867	9.7
55.05501	1.5
56.96547	0.8
57.03426	16.5
57.27218	0.6
59.04990	12.4
60.02120	0.9
61.02905	7.4
62.84815	0.8
64.33154	0.8
68.02640	1.4
69.03415	94.4
70.06567	1.7
71.01329	3.9
71.04974	9.9
73.02899	15.2
73.06513	0.9
75.04458	14.4
76.58485	0.8
81.03395	5.8
83.01340	1.2
83.04955	7.7
84.04470	0.8
85.02367	1.0
85.02887	52.8
87.04448	100.0
95.01303	1.1
95.36661	0.8
97.02869	70.4
99.04424	17.7
101.02353	3.0
101.05997	12.4
109.02911	1.1
111.04426	33.0
112.03961	0.9
113.02361	1.7
113.05817	0.8
115.03917	6.4
125.02351	1.7
127.03903	1.7
129.05452	64.6
131.03308	0.8
138.67085	0.8
139.03882	3.1
147.06500	46.9
149.01218	0.8
157.04976	8.3
175.06006	6.6
193.07042	27.0
228.23189	1.0
229.15367	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Unknow
Peak:m/z	Relative Intensity
52.04672	0.9
52.06528	0.9
53.03916	1.1
54.81702	0.9
55.01866	1.0
55.05497	6.6
57.03418	1.0
57.07071	5.2
67.05493	6.9
69.03416	2.1
69.07049	25.8
70.25018	0.9
70.41351	0.9
78.01476	1.0
79.05465	13.1
79.87602	0.9
81.07033	36.2
81.07477	1.9
83.08589	1.1
83.22842	0.9
87.04443	12.4
87.71538	0.9
91.05461	7.7
92.08704	1.3
93.07020	55.9
95.04964	4.2
95.08583	15.0
97.06518	5.3
100.11259	1.4
103.05467	1.6
105.07012	17.4
107.08585	8.4
109.06497	5.1
109.10154	1.1
111.11686	8.1
119.08544	10.6
121.06443	1.1
121.10117	100.0
123.08052	6.9
123.11682	54.6
128.47934	1.1
133.07597	1.2
133.10075	2.2
137.09584	2.4
139.11200	5.1
147.11707	8.4
149.09605	37.1
151.11159	21.1
151.12215	1.6
165.12729	5.6
167.10635	96.8
191.14255	1.2
227.16359	2.5
244.42996	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	MKN-003C
Peak:m/z	Relative Intensity
55.05502	6.4
57.03437	2.4
57.07065	1.8
59.04985	2.4
65.53023	1.3
67.05489	7.2
68.24145	1.4
69.07042	10.1
71.04976	14.8
73.06520	1.6
75.99444	1.8
79.05468	8.7
81.07050	14.6
83.04974	1.9
83.08601	2.1
85.06526	2.3
91.05447	6.4
93.07014	16.4
95.04945	100.0
95.08582	9.2
95.65942	1.8
97.06516	27.9
97.27458	1.6
99.04440	18.3
99.08066	13.4
105.07014	17.5
107.08593	15.4
109.06497	31.6
109.10137	7.0
111.08078	3.3
115.07538	24.8
119.08577	8.1
121.10094	16.5
123.08081	3.1
123.11695	2.0
125.09595	3.0
131.08546	8.8
133.10106	31.7
135.08012	2.5
145.10130	3.2
147.11671	10.1
149.13255	6.2
151.11160	3.8
153.09081	17.1
153.43132	1.5
158.10957	2.2
163.14793	2.4
173.13237	10.0
183.02802	1.7
191.14276	8.1
209.15343	10.3
227.16365	11.3
249.06438	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
55.05505	16.6
57.03425	8.0
57.07059	7.6
58.20726	1.9
59.04994	4.3
66.63470	1.6
67.05494	10.1
67.07742	1.5
67.47153	1.7
69.03407	3.6
69.07063	18.9
71.04977	25.3
72.40355	1.7
79.05470	15.4
81.07042	25.8
82.93101	1.6
83.00124	1.6
83.04962	4.4
83.08610	11.5
85.06521	12.8
86.32663	1.9
90.01694	1.7
91.05446	14.8
92.09277	2.4
93.07021	28.7
95.04948	100.0
95.08574	19.2
97.06517	26.2
97.10120	2.7
99.04441	10.0
99.08073	18.7
105.07011	37.2
107.08587	36.2
109.06499	44.0
109.10154	12.0
109.87154	1.5
111.08060	10.5
113.96362	2.0
115.07558	3.1
117.07024	3.2
117.36420	1.9
119.08569	18.0
121.01650	2.3
121.06474	2.9
121.10125	40.8
123.08080	3.4
123.11678	8.7
125.09608	4.2
127.07561	3.3
131.08568	16.8
133.10114	55.1
135.08035	8.1
135.11623	3.8
137.09612	3.2
139.11131	4.2
143.10686	3.4
145.10114	2.2
147.11676	21.0
149.09712	2.1
149.13251	11.0
151.11145	6.5
153.09087	18.7
153.10176	2.1
158.10934	8.6
161.02934	2.0
171.10141	4.4
173.13211	17.1
191.14305	14.0
209.15251	15.1
226.66299	1.8
227.16379	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
53.03929	3.0
55.01861	4.8
55.05503	23.5
56.96561	30.6
57.03418	12.3
57.07053	4.7
61.02929	2.5
61.21854	2.0
67.05493	20.3
68.99783	3.5
69.03410	9.0
69.07059	23.5
71.04974	44.0
71.11178	2.2
73.95425	2.0
76.20900	2.2
78.04692	2.3
79.05481	20.9
81.03370	2.9
81.07039	33.2
83.04963	9.9
83.08583	4.3
85.06522	12.3
89.03900	3.3
91.05465	23.5
93.07029	47.9
95.04955	50.9
95.08585	31.1
97.06510	25.6
97.10104	3.5
98.97558	8.6
99.04421	29.9
99.08077	9.2
100.11227	9.9
103.05451	9.1
105.07015	27.7
107.04916	4.5
107.08582	68.7
109.06506	22.8
109.10130	45.0
111.04420	5.1
111.08047	9.3
116.98528	2.5
117.02033	3.3
117.06990	4.5
119.04900	3.4
119.08574	28.9
119.14007	2.6
121.06477	22.0
121.10125	55.4
123.04404	43.4
123.08042	37.1
123.11671	10.6
125.06931	2.7
125.09609	2.6
129.14659	2.3
131.04897	4.8
131.08546	24.3
133.10101	53.1
134.03633	3.6
135.04404	2.6
135.08015	9.5
135.11653	13.0
137.05916	10.2
137.09666	3.8
139.03880	42.5
139.11159	18.1
140.04419	2.3
143.08508	3.0
145.10155	4.8
147.08078	2.6
147.11638	19.5
148.05104	3.8
149.05962	14.9
149.09628	11.6
149.13231	32.1
150.03123	9.5
151.03883	33.4
151.11182	8.8
152.04245	2.3
153.09079	9.0
158.10901	3.4
159.79471	2.3
163.01758	3.7
163.03848	2.6
163.14803	8.3
165.12709	4.0
167.07011	100.0
173.13202	28.6
174.02527	5.2
177.05424	12.4
179.00142	16.1
181.02876	3.2
183.03050	14.0
183.53241	3.1
191.14337	19.9
192.03654	3.3
197.01201	38.9
198.01526	3.9
202.01263	2.7
209.01294	2.6
209.08095	10.4
209.15335	22.7
211.01103	2.2
215.02208	16.0
225.00641	2.2
227.02203	17.8
227.16396	40.6
227.97870	2.4
245.03221	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	227.164
Annotation	Annuionone G
Peak:m/z	Relative Intensity
52.20882	1.8
55.05493	16.2
57.03417	5.9
57.07055	5.4
59.04984	3.8
61.49425	2.0
67.05508	16.6
69.03414	4.8
69.07061	28.5
71.04977	19.7
79.05465	21.1
81.07036	50.8
83.04978	3.4
83.08579	10.5
83.28246	2.1
85.06511	12.7
87.04456	2.5
91.05449	20.5
93.07024	43.0
95.04943	100.0
95.08575	25.5
96.31948	2.2
97.06516	31.1
98.97544	2.7
99.04414	11.1
99.08078	22.8
105.07010	46.2
107.08588	37.7
109.06503	72.5
109.10157	18.1
111.08059	11.3
115.07546	4.4
119.08542	26.1
121.06486	3.8
121.10117	58.7
123.08028	12.6
123.11691	18.8
125.09583	12.9
127.07552	4.5
131.08565	20.4
133.10103	63.2
135.07994	12.6
135.11647	5.7
139.11128	4.5
143.01834	3.2
145.10104	5.8
147.11658	30.6
149.09650	18.3
149.13219	6.0
151.11163	5.6
153.09076	21.2
161.02959	3.8
163.14810	3.9
165.12675	3.9
167.06985	4.4
167.10614	23.9
171.10162	4.1
173.13251	17.1
191.10663	3.5
191.14268	14.7
199.08664	3.4
209.15277	20.3
227.16331	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	227.1276
Annotation	Tuberonic acid
Peak:m/z	Relative Intensity
53.03925	3.2
55.01861	14.9
55.05503	37.9
57.03430	2.3
57.07056	3.2
60.80222	1.9
61.03097	2.3
67.05491	47.2
69.07059	26.7
71.04985	8.9
73.02918	3.4
79.05479	56.2
81.03403	13.2
81.07042	43.3
83.04967	13.1
83.08600	18.6
91.05470	19.5
93.07024	76.8
95.04950	14.4
95.08588	77.5
95.09193	2.7
97.02890	9.0
97.06518	9.8
99.04436	11.1
103.05479	2.7
105.07027	14.9
107.04942	20.7
107.08583	50.2
109.06512	4.3
109.10161	3.6
111.04399	2.5
111.08015	3.7
113.05952	2.9
117.07020	15.0
119.08571	20.0
121.06473	15.7
121.10098	21.0
125.05949	2.6
129.06984	2.5
130.07788	4.0
133.10094	3.2
135.08058	5.2
135.11664	64.8
139.07475	2.7
145.10110	44.6
149.06017	3.2
163.11142	74.6
167.07031	19.5
181.12228	12.4
182.84436	2.8
208.09491	2.4
227.12747	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.1278
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03927	1.9
54.66387	1.6
54.81887	1.9
55.05507	38.2
55.79208	1.6
56.96566	4.1
57.03425	8.3
57.07069	4.5
59.04993	2.6
61.02940	1.9
67.05480	17.1
68.99770	13.7
69.03411	4.8
69.07047	17.5
71.04979	11.3
71.08615	2.8
74.51922	2.2
79.05479	16.2
81.07040	36.2
83.04974	9.3
83.08608	49.4
85.06521	4.2
85.10184	8.6
91.05468	40.6
93.07048	23.5
95.04950	41.2
95.08588	13.9
97.06506	2.7
98.97563	11.0
99.04435	4.4
101.02350	4.6
105.07053	7.5
107.08580	77.9
109.06489	39.8
109.10140	18.2
111.04436	8.7
111.08067	100.0
113.05986	2.3
116.98580	8.9
119.03414	8.4
121.06422	2.7
121.10152	9.5
123.08057	3.5
125.09616	24.9
127.07546	2.8
131.08577	4.6
133.10129	3.0
135.08075	16.4
135.11696	3.3
137.05966	9.1
139.02760	2.0
149.05983	3.0
149.09599	8.6
151.07574	3.9
153.09097	55.4
167.07014	12.9
169.07272	3.8
169.08578	57.3
181.02754	2.5
185.11684	16.6
195.10135	43.0
209.11501	2.9
227.12637	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	227.1276
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
55.01871	3.4
55.05503	6.5
57.03421	3.9
57.07067	6.3
67.05487	48.9
68.73629	2.5
69.07043	15.8
71.04979	24.5
75.70747	2.7
79.05468	46.5
81.07027	11.6
83.04955	16.1
85.06520	77.3
87.05939	3.2
91.05452	36.3
91.79942	3.0
92.08644	2.8
93.07022	48.2
95.04942	15.9
95.08578	3.6
97.06510	5.4
105.07011	43.1
107.04966	20.7
107.08576	53.7
109.06517	5.8
111.04395	16.7
117.06985	12.1
119.08573	23.3
121.06476	13.9
121.10112	28.4
123.08016	4.5
125.05997	3.6
129.06996	12.2
131.08533	100.0
135.11617	3.6
137.09604	7.2
145.10110	37.7
147.07997	6.9
149.09578	84.1
163.11131	20.1
165.09047	6.0
167.10640	24.6
173.09561	11.1
184.58589	3.2
191.10623	45.6
209.11722	27.7
227.12787	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	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
51.05826	0.7
53.03937	2.1
55.01853	4.1
55.05506	12.4
57.03426	9.9
57.07069	7.1
59.04977	5.3
65.03926	1.5
67.05492	20.5
69.03401	4.0
69.07064	12.7
71.04613	1.2
71.04977	23.3
73.02876	1.5
75.04444	1.0
79.05476	22.8
79.26762	0.7
81.03407	17.0
81.07036	17.7
83.04964	10.2
83.08583	5.5
85.02872	1.1
85.06527	44.4
88.97851	1.0
91.05462	17.4
93.07021	28.3
95.04946	100.0
95.08572	9.8
97.02850	1.8
97.06511	19.3
97.10135	2.1
99.04444	13.9
99.08064	15.9
100.11230	12.2
103.05450	1.7
105.07007	27.4
107.04951	10.0
107.08574	35.3
109.02853	1.8
109.06500	24.0
109.10141	7.0
111.04447	7.1
111.08069	6.4
113.05956	1.1
113.09570	1.0
115.07529	4.1
116.06172	0.8
117.06996	6.4
119.04991	0.8
119.08565	20.4
121.06493	11.2
121.10123	29.4
123.04409	8.3
123.08023	5.9
123.11667	4.0
125.05958	4.6
125.09566	3.6
127.07524	5.1
129.06963	4.7
131.04839	1.2
131.08537	36.9
133.10103	26.0
135.04341	1.2
135.08043	7.1
135.11647	5.7
137.05963	2.0
137.09595	5.5
139.03899	0.9
139.07497	1.3
139.11151	4.6
143.08560	1.6
143.10684	1.6
145.10103	16.8
147.08037	5.0
147.11688	11.3
149.05963	3.8
149.09605	31.8
149.13251	3.5
151.11172	2.1
153.09088	17.2
161.02885	1.1
163.07527	3.4
163.11217	9.4
163.14809	2.0
165.09064	5.9
165.12715	2.2
167.07005	7.8
167.10649	12.5
171.10141	6.9
171.98856	0.9
173.09627	1.2
173.13266	7.8
191.07059	1.1
191.10626	22.8
191.14235	8.1
209.11685	15.9
209.15144	11.5
227.12827	11.6
227.16243	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	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
53.86885	1.3
55.01860	6.8
55.05508	11.4
56.96567	1.8
57.03418	1.8
57.07065	3.0
65.03924	8.7
67.05495	13.6
68.77015	1.5
69.03413	2.7
69.07041	9.5
70.06585	2.7
71.04968	8.6
72.93779	1.7
73.02904	30.1
73.18298	1.4
76.24257	1.4
79.05460	8.6
81.03390	3.5
81.07024	6.5
82.04179	2.3
83.04951	2.5
83.08591	1.9
85.02882	9.8
85.06527	16.3
86.09709	2.9
91.05460	8.4
93.07010	10.4
95.04951	31.7
95.08583	6.4
97.06493	12.9
98.97568	2.2
99.04426	3.3
105.07005	9.2
107.04969	3.2
107.08553	12.0
108.02054	1.8
109.06492	8.0
110.03629	3.9
111.04428	2.5
114.06371	1.7
115.07526	2.5
119.08554	7.9
121.01665	2.4
121.06482	7.2
121.10118	9.8
123.04418	7.3
123.08075	2.1
125.02377	2.3
125.05972	3.6
131.08533	13.9
131.97382	2.3
133.10104	2.9
133.99472	1.7
135.08070	2.1
138.03099	2.2
140.04662	46.3
142.02614	2.2
145.10124	3.9
147.08052	2.1
149.09608	13.2
153.05411	2.5
153.09074	3.0
155.06989	30.6
163.01721	1.9
163.03961	1.9
163.07518	2.1
163.11201	1.9
167.07016	6.6
167.10678	2.5
171.06459	8.0
179.06842	2.0
181.03056	6.0
181.04930	100.0
191.10657	9.2
191.14349	2.0
209.08118	14.0
209.11708	6.7
227.09033	12.0
227.12538	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	227.1275
Annotation	11-Hydroxyjasmonic acid
Peak:m/z	Relative Intensity
50.07452	2.1
55.01851	4.2
55.05507	4.7
57.03419	2.9
57.07060	11.3
65.92470	2.5
67.05494	39.9
69.07044	3.9
71.04983	26.8
72.47403	2.3
76.56497	3.0
76.89643	2.1
79.05473	48.8
81.07035	9.7
83.04953	11.3
85.06532	97.0
91.05454	31.4
93.07022	41.4
95.04924	5.9
97.06512	4.5
99.08069	3.0
101.72595	2.3
105.07012	33.5
107.04940	20.1
107.08578	48.6
109.06495	4.5
111.04426	14.5
117.07003	16.1
119.08572	31.4
121.06433	20.0
121.10146	28.6
125.05890	4.0
129.06938	3.4
131.08548	100.0
135.11647	4.5
137.09587	12.6
139.07428	3.1
145.10101	38.9
147.08008	5.1
149.09589	88.8
153.05415	3.6
163.07596	3.6
163.11151	25.2
165.09100	13.4
167.10674	26.8
167.34688	2.2
173.09576	4.8
181.04930	3.3
191.10620	46.6
209.11650	42.7
227.12793	14.0
245.47211	3.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Ficusol
Peak:m/z	Relative Intensity
53.03939	1.1
53.36918	0.5
55.01856	0.9
55.05484	3.0
57.07063	0.7
65.03893	0.6
67.05500	0.6
69.07042	1.6
70.02947	0.6
70.06565	3.2
73.02902	0.6
78.04684	4.0
79.05459	3.2
81.03410	1.0
81.07015	0.6
82.06558	1.0
83.73424	0.6
84.04491	2.8
84.08124	0.9
89.03889	3.0
90.20580	0.6
91.05463	10.6
93.07013	4.9
94.04169	0.9
95.01303	13.4
95.04951	5.5
98.97577	0.8
103.05440	9.4
105.04453	0.9
106.04132	4.8
107.04955	5.3
109.02866	0.7
109.06474	0.9
112.03970	1.1
112.07594	1.4
116.07071	1.4
117.03349	1.1
119.01921	0.7
119.04919	1.6
121.01635	0.8
121.06484	15.2
121.07378	1.0
121.07664	0.8
122.03613	1.4
123.04409	12.0
124.05199	2.8
125.89072	0.7
130.08621	1.5
131.04927	8.5
131.68600	0.7
133.02838	0.9
134.03615	5.1
135.04395	2.8
137.05959	9.7
140.04700	2.4
145.02820	1.4
146.05928	0.7
148.05174	2.7
149.05965	12.7
151.03848	2.6
152.04652	4.3
152.07072	0.8
156.03253	1.3
159.04413	3.0
161.17374	0.8
163.03883	0.8
166.06297	0.8
167.06999	100.0
174.04266	2.6
176.04626	1.0
177.05431	20.3
177.06964	0.8
178.06274	0.7
180.07738	0.7
181.08533	0.8
182.04366	2.6
204.05424	1.0
209.08005	4.9
227.09114	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0913
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03930	1.6
53.86885	1.3
55.01860	6.8
55.05508	11.4
56.96567	1.8
57.03418	1.8
57.07065	3.0
65.03924	8.7
67.05495	13.6
68.77015	1.5
69.03413	2.7
69.07041	9.5
70.06585	2.7
71.04968	8.6
72.93779	1.7
73.02904	30.1
73.18298	1.4
76.24257	1.4
79.05460	8.6
81.03390	3.5
81.07024	6.5
82.04179	2.3
83.04951	2.5
83.08591	1.9
85.02882	9.8
85.06527	16.3
86.09709	2.9
91.05460	8.4
93.07010	10.4
95.04951	31.7
95.08583	6.4
97.06493	12.9
98.97568	2.2
99.04426	3.3
105.07005	9.2
107.04969	3.2
107.08553	12.0
108.02054	1.8
109.06492	8.0
110.03629	3.9
111.04428	2.5
114.06371	1.7
115.07526	2.5
119.08554	7.9
121.01665	2.4
121.06482	7.2
121.10118	9.8
123.04418	7.3
123.08075	2.1
125.02377	2.3
125.05972	3.6
131.08533	13.9
131.97382	2.3
133.10104	2.9
133.99472	1.7
135.08070	2.1
138.03099	2.2
140.04662	46.3
142.02614	2.2
145.10124	3.9
147.08052	2.1
149.09608	13.2
153.05411	2.5
153.09074	3.0
155.06989	30.6
163.01721	1.9
163.03961	1.9
163.07518	2.1
163.11201	1.9
167.07016	6.6
167.10678	2.5
171.06459	8.0
179.06842	2.0
181.03056	6.0
181.04930	100.0
191.10657	9.2
191.14349	2.0
209.08118	14.0
209.11708	6.7
227.09033	12.0
227.12538	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	227.0701
Annotation	Flurecol
Peak:m/z	Relative Intensity
50.78553	0.4
53.00287	1.1
53.03918	0.5
53.27095	0.4
54.36353	0.5
55.01849	3.5
55.05502	3.8
56.96545	1.1
57.03408	1.0
57.07059	2.0
65.03914	3.5
67.05474	2.2
68.99769	1.2
69.03403	0.6
69.07048	5.3
71.04965	1.3
79.05499	1.8
80.39424	0.4
81.03389	0.8
81.07034	3.7
83.08591	2.2
85.02866	1.0
85.06533	0.8
85.28499	0.5
91.05450	15.7
93.03357	2.9
93.07008	4.1
95.04938	2.9
95.08560	2.9
97.02857	0.6
98.97543	1.2
99.04405	1.3
99.61007	0.5
100.11206	1.1
105.07008	1.2
107.04929	0.8
107.08554	4.4
109.06506	1.3
109.10120	0.7
111.08044	2.2
115.05418	0.6
116.98582	0.6
119.08534	0.6
121.02834	9.5
121.10107	2.3
123.08076	0.7
125.09624	1.0
128.06165	3.2
129.06961	3.5
131.08504	1.2
131.33824	0.6
133.10115	0.7
134.04640	0.5
135.11691	0.8
141.06969	0.8
143.08533	3.5
145.10094	0.8
149.02280	0.8
149.13275	0.6
152.06183	6.2
153.06960	17.5
153.08990	0.6
155.08525	0.6
156.64273	0.6
157.06450	36.3
163.11151	1.1
165.07013	0.7
167.03357	24.1
167.07002	3.8
167.10593	0.6
169.06454	2.3
171.04395	0.8
171.08018	7.9
181.06425	81.0
184.05113	1.2
197.05934	0.7
199.07484	21.8
209.05920	29.0
209.15282	1.2
210.06754	0.9
213.05394	0.8
226.06171	1.1
227.06969	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	227.0912
Annotation	Massarigenin B
Peak:m/z	Relative Intensity
51.69935	0.5
53.03932	0.8
55.01873	4.6
57.03405	0.6
61.37284	0.6
65.03928	8.3
67.05489	3.1
73.02900	33.1
77.03918	0.5
79.05475	0.8
81.07029	0.8
82.04179	3.4
84.59420	0.6
85.02904	4.7
91.05451	1.5
92.08621	0.7
93.03379	2.5
93.07016	0.9
95.04948	9.4
97.06519	4.0
104.17870	0.7
107.04934	0.6
108.02106	1.2
110.03660	4.5
111.04450	2.4
121.06486	1.4
123.04378	5.8
123.08138	0.7
125.02314	1.4
125.05970	1.6
133.10127	0.8
138.03110	1.4
140.04655	46.3
142.02603	2.5
153.05461	3.9
155.07001	33.8
167.06963	1.2
171.06471	7.9
173.08122	2.8
179.07010	1.5
181.04919	100.0
181.08473	3.2
207.01723	0.7
209.08070	11.5
227.09096	12.6
227.16412	0.9
232.15211	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
51.09641	1.6
55.01873	3.5
55.05497	12.8
56.96564	2.2
57.07067	31.9
59.04990	22.9
60.06653	1.8
62.81992	2.0
65.03941	2.0
67.05489	28.3
68.75822	2.1
68.99778	1.9
69.03420	25.3
69.07042	12.5
71.04987	8.0
71.08611	16.1
79.05473	29.2
81.03397	9.4
81.07039	44.3
83.04959	10.7
85.02890	100.0
85.06549	2.3
85.10184	4.0
85.73622	1.9
87.04449	3.1
91.05462	59.4
93.07018	38.4
95.04961	15.7
95.08588	26.6
95.46082	2.1
97.06528	3.8
98.97012	2.2
98.97569	12.9
99.04440	8.3
101.05978	2.6
103.05445	4.1
105.07006	57.0
107.04944	4.9
107.08582	73.4
109.06505	27.3
109.10117	21.4
111.08035	8.1
113.06068	2.3
115.05458	3.8
116.98624	7.4
117.07010	13.8
119.01904	10.3
119.08556	34.8
121.06482	13.5
121.10099	19.8
123.08040	64.7
123.11677	56.8
124.07571	21.6
125.05949	8.0
125.09663	2.8
131.08539	8.1
133.06464	9.5
133.07489	4.1
133.10066	19.0
134.99574	3.4
135.08034	23.7
135.11682	10.1
137.02933	3.2
137.05974	3.3
137.09596	39.0
139.11185	2.4
141.05473	2.4
145.06476	11.7
145.10150	4.3
147.08043	4.2
147.11667	21.5
149.09613	13.4
151.07565	8.0
151.11182	4.0
153.09100	10.4
156.09294	3.3
161.13232	11.1
163.11105	3.6
172.13564	2.5
189.12701	9.9
207.13765	22.2
225.14917	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	225.1483
Annotation	Sundiversifolide
Peak:m/z	Relative Intensity
55.01865	2.0
55.05500	7.5
56.96563	4.1
57.03424	4.5
57.07067	30.0
58.76321	0.9
61.02893	1.4
63.81498	1.3
67.05483	15.7
69.03406	13.7
69.07049	6.9
70.81078	1.2
71.04971	18.6
71.08604	16.5
79.05467	13.2
81.03392	2.5
81.07031	15.9
81.97961	1.0
83.04954	4.9
83.08625	1.1
85.02893	2.4
85.06538	5.2
85.10168	6.8
87.04449	4.3
91.05462	14.1
93.07017	28.5
94.02927	1.7
95.04950	6.6
95.08578	10.8
97.02860	1.3
97.06515	7.2
98.97520	10.4
99.04446	4.3
99.08047	1.4
105.07007	28.6
106.07755	1.2
107.08560	21.5
109.06509	8.6
109.10138	26.2
111.08086	1.5
113.06017	1.3
116.98581	8.9
117.06995	1.8
119.01885	9.6
119.04899	1.4
119.08553	25.3
121.06480	4.6
121.10118	49.4
123.08040	12.6
123.11732	1.9
125.05957	8.6
127.09698	1.1
129.07002	1.2
131.08565	6.2
133.06491	1.4
133.10106	10.3
134.99620	1.8
135.08012	4.6
135.11652	5.4
137.02948	4.4
137.09590	21.6
139.07523	5.5
139.11159	12.3
141.07056	1.5
142.03468	1.6
143.08562	2.6
145.10091	4.6
147.08044	5.0
147.11659	15.4
149.09599	100.0
151.03883	7.4
151.04968	1.2
151.07524	2.3
151.11121	1.4
156.09328	1.9
158.99677	1.4
159.08080	2.2
161.09604	1.4
161.13242	11.8
163.11159	4.7
165.05437	4.9
165.12677	2.7
171.11635	5.5
174.10384	2.1
177.00670	2.0
179.03992	1.9
179.14279	1.7
181.12105	1.4
189.12689	18.3
189.16438	1.2
191.14253	9.5
207.13774	23.2
215.03992	1.6
225.14816	14.1
242.79298	1.1
243.49901	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.1484
Annotation	MKN-003A
Peak:m/z	Relative Intensity
52.27686	0.4
53.03921	0.6
53.55420	0.5
55.05313	0.4
55.05511	8.1
57.03428	0.6
57.07070	12.4
57.72663	0.5
59.04979	1.3
62.59864	0.5
64.36507	0.5
67.05494	26.5
69.03413	1.3
69.07065	1.3
71.04976	1.1
71.08616	4.1
79.05480	2.6
81.03410	2.6
81.07041	6.2
83.04967	2.7
85.02881	1.2
85.06523	6.0
85.10171	1.2
91.05469	5.7
93.07029	10.8
95.04954	2.9
95.08585	100.0
97.06507	1.2
98.97591	0.9
105.07020	7.2
107.08578	8.8
108.52608	0.6
109.06511	4.1
109.10162	1.3
111.08021	0.8
113.06001	5.3
119.01900	3.6
119.04927	0.9
119.08572	11.7
121.06429	0.6
121.10103	6.8
123.08048	20.4
123.11684	3.8
131.08568	2.3
133.06496	0.8
133.10130	2.4
135.11652	5.9
137.09595	1.0
142.03531	0.7
143.01842	0.6
147.04330	0.7
147.08044	1.0
147.11641	4.5
149.09596	14.5
151.07510	0.8
159.08070	1.1
161.02962	0.9
161.13223	3.9
163.11168	0.7
165.12721	3.2
174.10408	0.7
189.12717	3.7
206.22514	0.6
207.13820	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	225.1483
Annotation	Apiosporic acid
Peak:m/z	Relative Intensity
52.32857	1.0
53.03927	5.1
54.58217	1.1
55.01846	5.0
55.05501	22.3
57.03422	6.5
57.07047	3.1
59.04750	1.4
59.04989	22.0
63.72255	1.0
65.03914	1.9
67.05487	39.8
69.03413	11.3
69.07057	8.9
71.04978	2.0
71.08585	1.4
79.05471	31.9
81.03400	2.6
81.07034	26.6
83.04960	10.2
85.02882	1.8
91.05456	37.1
92.09302	1.3
93.07021	38.2
95.04941	22.2
95.08579	27.6
97.06551	2.5
103.05450	7.9
105.07008	95.4
107.04942	11.1
107.08570	94.3
108.05717	5.4
109.06499	46.6
109.10129	27.7
111.04418	2.6
111.08031	1.6
117.07017	9.0
119.01875	1.9
119.06087	1.8
119.08552	70.5
121.06466	20.8
121.10089	12.8
122.07273	5.1
123.08040	100.0
124.06803	1.6
125.05987	2.2
125.09605	5.1
128.53593	1.4
129.06956	1.5
130.52751	1.4
131.08556	6.6
133.06470	12.0
133.07472	1.8
133.10114	16.1
135.07062	2.3
135.08037	41.1
135.11662	31.2
137.09592	84.7
141.06967	1.5
143.08546	5.2
145.10138	2.7
147.08031	5.0
147.11678	21.1
149.09518	9.3
151.07507	8.7
153.09094	17.2
156.09285	7.1
159.11586	2.5
161.09610	2.5
161.13220	25.8
171.11679	5.3
177.12634	4.7
178.26761	1.5
189.12654	10.1
207.13779	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	225.1482
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05508	1.0
57.07063	3.8
67.05498	6.2
69.07036	1.0
69.30385	0.6
70.79556	0.6
74.10005	0.6
75.28443	0.6
78.40711	0.7
79.05464	3.4
81.07037	28.3
82.24287	0.8
83.04942	0.8
85.02887	100.0
90.42373	0.7
90.92708	0.7
91.05458	9.0
93.07010	3.5
95.08589	5.7
105.07017	5.7
107.08588	5.0
109.06497	1.3
109.10135	9.5
117.06985	0.9
119.04899	4.3
119.08537	6.7
121.06460	0.8
121.10136	8.4
123.08035	1.4
123.11675	52.0
125.05961	4.9
131.08530	1.5
141.85088	0.7
147.04388	4.1
147.08023	3.5
147.11629	5.4
149.09578	7.0
151.07483	1.0
175.03864	3.7
189.12726	2.9
192.04123	1.6
207.06465	4.8
207.13809	9.4
225.14854	1.4
231.45511	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	225.0756
Annotation	2-Benzylmalic acid
Peak:m/z	Relative Intensity
51.02388	0.6
52.29690	0.8
53.00284	0.6
55.01859	0.8
57.07071	5.1
59.43692	0.8
64.45046	0.6
65.03920	5.3
71.08605	1.7
77.03905	2.8
79.05473	1.3
85.10172	1.1
89.03886	3.3
91.05458	100.0
93.03391	1.4
93.07036	1.0
95.04935	4.3
98.97544	0.8
103.05460	3.9
104.02569	1.0
105.03369	1.3
105.07008	1.3
107.04926	3.4
108.05687	0.9
109.06541	0.7
117.03380	0.9
118.04148	12.7
119.01917	1.2
119.04918	98.4
121.02849	1.7
121.06423	0.8
123.04385	1.2
129.03314	3.5
129.04343	0.8
130.70731	0.8
131.04893	0.7
132.02042	9.9
133.02815	1.7
133.06528	0.8
135.04385	3.0
136.05182	4.4
145.02844	3.0
146.03604	3.3
147.04382	81.9
149.01233	1.4
149.02306	13.5
151.07494	5.7
153.05437	2.9
157.03938	7.4
162.03101	0.9
163.03908	1.1
164.04639	11.3
165.09024	1.3
167.06937	1.2
173.02348	1.0
174.03069	1.7
175.03860	76.3
177.01807	6.1
179.06989	8.5
192.04135	36.9
192.05919	1.1
193.08505	1.0
194.56842	0.7
207.06490	89.9
225.07504	1.3
225.11028	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0764
Annotation	Unknow
Peak:m/z	Relative Intensity
51.23595	68.1
84.15827	98.6
164.53468	100.0
207.83839	82.3
208.80168	86.0
231.65398	85.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	224.0763
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01863	11.3
57.03429	18.7
60.04517	18.0
61.22172	12.9
63.04676	12.0
65.78536	11.7
72.29060	13.2
73.02872	12.9
75.96037	13.4
83.01337	21.3
85.02887	28.1
89.99567	13.6
98.98428	27.8
101.02346	58.8
111.00786	27.0
115.03937	57.0
119.03368	19.8
129.01828	88.4
139.00208	17.3
143.03360	100.0
157.01318	57.4
161.04361	17.2
171.02901	17.8
189.03951	57.4
202.65717	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	225.0719
Annotation	Unknow
Peak:m/z	Relative Intensity
51.93880	0.1
52.79730	0.2
56.79515	0.2
82.99844	1.0
92.09372	0.3
101.00850	18.3
119.01890	100.0
124.02368	1.8
127.20595	0.2
135.86841	0.2
137.02924	33.1
142.03468	31.8
143.03467	0.3
148.64697	0.2
160.04509	9.8
161.02910	9.9
162.10268	0.2
165.05101	0.4
177.00914	0.9
179.03958	21.2
184.04556	1.3
186.54900	0.2
199.50093	0.2
202.05557	2.0
202.14111	0.2
219.01881	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
53.03938	0.6
54.81687	0.5
55.01852	0.7
55.05497	0.6
55.62154	0.5
57.94229	0.4
62.74866	0.5
62.92875	0.4
65.03894	0.5
67.05482	0.5
70.67594	0.4
73.91281	0.4
75.48162	0.5
77.27505	0.4
78.04685	4.1
78.61756	0.5
78.87132	0.4
79.05455	3.6
82.72736	0.5
91.05443	1.2
92.09274	0.7
93.07029	1.2
95.04904	1.9
95.08572	0.6
98.97578	4.6
105.03399	1.0
105.07000	1.2
106.04146	3.3
107.04940	30.5
108.08982	0.6
109.06524	0.6
116.98605	3.8
117.03328	0.6
119.08584	0.6
123.04341	0.7
133.02806	0.6
134.03615	7.1
134.99651	2.4
135.04413	7.6
145.03969	2.7
149.02327	3.6
150.39182	0.5
158.01251	0.6
162.03096	41.7
163.03880	14.3
165.01788	0.9
167.07013	2.0
179.03377	10.7
180.04156	3.7
190.02576	40.6
191.03174	0.8
193.01277	3.8
194.02112	3.9
195.06467	1.2
202.94507	0.5
207.02859	18.5
208.03644	23.4
223.05977	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.06
Annotation	K 251-1
Peak:m/z	Relative Intensity
51.45713	0.3
53.03925	0.5
54.08870	0.4
55.01863	0.9
55.39993	0.5
55.57967	0.4
56.96529	0.8
57.03409	3.5
59.04990	0.5
59.53543	0.5
65.03924	0.5
65.64854	0.4
67.05486	0.8
69.03401	0.7
69.07059	0.7
71.01321	2.3
78.04700	5.5
79.05477	4.2
81.03381	0.7
81.07028	1.1
86.28175	0.4
91.05447	3.4
93.06924	0.6
95.04955	0.8
97.02863	0.5
97.06480	0.5
98.97557	5.2
103.05408	0.8
105.03343	2.2
105.06979	0.9
106.04154	4.5
107.04921	3.3
109.06498	1.1
109.12848	0.5
115.82414	0.4
116.98584	3.4
117.07018	0.7
118.04156	1.0
120.02132	0.5
123.04401	1.9
123.08015	0.9
131.04871	1.9
131.08525	4.2
133.02835	3.0
133.06470	6.9
133.97408	0.5
134.03600	9.9
134.99615	1.0
135.04396	18.8
135.08015	4.8
139.03885	4.5
141.06961	1.1
144.02043	0.7
144.05696	2.5
146.03485	0.5
149.02310	2.1
150.03104	0.7
151.03888	2.3
152.04814	0.5
153.01779	2.6
159.04410	1.8
159.08026	8.9
161.02347	0.9
161.05914	1.1
162.03088	46.7
163.02512	0.8
163.03870	18.2
164.04626	0.6
167.06915	0.7
176.04665	2.8
176.95602	0.5
177.01929	0.7
177.05414	1.0
178.01085	0.6
178.02530	1.0
179.03343	18.5
180.04117	2.5
187.07481	5.1
190.02571	56.6
191.03290	0.6
193.01292	6.0
194.02042	4.8
195.06456	1.2
205.01315	0.7
205.04944	1.2
205.08559	5.6
207.02853	27.7
208.03633	38.2
223.05975	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Fokienol
Peak:m/z	Relative Intensity
53.00299	1.2
55.05488	6.5
55.56799	0.8
55.64815	0.8
56.96543	2.1
67.05482	7.5
69.07049	12.3
71.04977	18.4
74.14585	0.9
79.05464	17.9
80.11501	0.9
80.98157	0.9
81.07034	100.0
91.05449	10.1
92.08693	1.3
93.07017	41.5
95.08582	14.4
97.06504	1.6
98.97563	31.6
99.08071	1.7
105.07015	31.9
107.08573	40.6
109.10130	16.7
111.47967	1.1
113.09641	1.1
116.98589	21.5
117.06955	1.7
119.08553	53.9
121.10094	4.8
123.11642	6.2
127.11184	8.6
133.10085	11.2
134.99632	12.8
135.11664	48.3
146.28889	1.0
147.11691	10.8
149.13200	4.6
151.46675	1.0
153.00607	1.5
153.10390	1.0
158.01109	1.3
161.13268	4.5
163.14743	1.3
175.14847	1.2
188.27017	0.9
203.17924	18.5
212.30177	1.0
221.18919	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	222.0012
Annotation	Unknow
Peak:m/z	Relative Intensity
53.06706	0.2
58.05304	0.2
71.33796	0.2
96.81923	0.3
98.97562	0.6
101.00838	1.2
116.98590	0.6
119.01894	3.4
120.01951	0.4
120.95307	0.4
138.96388	5.6
156.97452	92.6
157.97554	0.4
174.98499	100.0
175.98627	0.4
176.98909	0.4
179.99055	2.5
180.97397	0.5
189.19257	0.3
198.00107	2.3
198.98499	11.7
216.99548	34.7
240.01089	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	223.0599
Annotation	2-Hydroxy-4-hydroxymethylbenzalpyruvate
Peak:m/z	Relative Intensity
50.57227	0.6
53.03925	1.6
53.44499	0.6
53.99286	0.7
55.01859	1.0
56.92312	0.5
56.96547	2.8
61.96463	0.6
65.56274	0.6
67.83712	0.6
69.03374	0.7
69.52075	0.7
79.05489	4.9
79.12956	0.7
80.52934	0.6
81.03398	18.7
85.02866	0.6
91.05448	4.1
95.04952	1.1
98.97555	9.8
103.05457	5.4
105.07011	53.5
107.04935	5.1
109.06466	0.9
110.97521	1.4
112.99123	1.3
115.05435	16.2
116.98601	3.6
119.04926	1.5
131.00111	0.8
131.04901	15.8
132.05643	0.7
133.06467	100.0
134.99593	0.9
143.00185	1.5
143.04927	1.2
143.06001	1.5
146.99545	1.1
147.04370	0.8
149.01196	1.5
149.02269	2.2
149.05957	3.7
158.99695	1.2
159.04376	13.3
160.05161	2.8
161.01273	1.2
161.05951	85.1
171.05499	21.4
177.00690	0.9
177.05458	11.7
185.01196	0.8
187.03865	13.6
203.02258	2.7
205.04953	18.1
221.03229	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
50.28760	0.8
53.00283	1.0
53.03937	1.3
55.01082	0.8
55.05506	10.2
55.47256	0.8
55.97953	0.9
56.13083	0.9
56.96543	1.7
57.07065	1.4
67.05493	7.1
69.03419	1.3
69.07053	8.7
71.04971	12.8
75.98979	1.0
79.05472	28.2
80.33511	0.9
81.07036	100.0
81.23785	0.8
83.04932	1.1
83.08583	1.4
91.05450	15.5
93.07023	41.1
95.04915	3.6
95.08578	20.3
97.06483	2.1
98.97559	22.0
99.08035	2.1
105.07014	27.3
107.08572	68.2
109.06491	4.2
109.10148	12.9
116.98594	18.5
117.06976	1.4
117.87003	0.9
119.08555	39.3
120.09416	1.0
121.10130	7.5
123.11663	11.8
124.24516	1.0
125.09613	1.3
127.11180	5.8
133.10107	17.5
134.99655	13.4
135.11665	83.9
145.10133	1.9
147.11670	12.0
149.13264	3.7
151.11179	1.3
153.00687	1.1
158.01204	5.1
161.02876	2.4
161.13249	6.7
163.14825	1.6
175.14816	1.2
203.17921	14.3
221.15437	0.9
221.18947	11.5
221.21883	1.5
231.15622	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.19
Annotation	Fokienol
Peak:m/z	Relative Intensity
53.00313	1.0
53.03934	2.1
55.05510	12.4
56.96556	1.8
67.05490	8.2
69.03409	2.3
69.07061	10.8
71.04972	14.9
73.20795	1.1
77.84206	1.0
78.31938	1.3
79.05480	18.2
81.07040	100.0
83.08624	1.4
85.02871	1.8
88.95758	1.4
91.05434	9.8
92.09255	1.7
93.07026	38.5
95.04945	1.9
95.08585	19.1
97.06521	2.7
97.83846	1.5
98.97575	16.8
105.07013	41.9
107.08577	40.3
109.10155	18.2
116.98595	16.4
117.06976	5.3
119.08561	63.2
121.10134	6.4
123.08057	1.6
123.11684	7.1
127.11190	7.0
129.06967	1.9
131.08450	1.7
133.10095	16.0
134.99641	9.9
135.11667	42.3
145.10117	1.7
147.11678	11.8
149.02312	18.1
149.13223	6.0
158.01306	1.5
161.13280	2.2
176.07249	2.6
177.09108	1.5
191.09686	1.7
203.17931	18.0
221.10793	2.0
221.18979	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	221.1899
Annotation	Helianthol A
Peak:m/z	Relative Intensity
51.63846	1.7
53.03934	3.4
53.43375	1.5
53.87821	1.3
55.01855	3.2
55.05500	11.3
56.96559	9.1
57.03420	1.7
57.07061	4.3
59.04988	2.4
67.05488	10.4
68.99783	2.8
69.03423	2.2
69.07049	10.9
71.04977	10.4
79.05482	21.6
81.07039	100.0
83.04967	2.6
83.08620	3.1
85.06511	2.6
91.05445	18.0
93.07025	46.6
95.04968	3.1
95.08579	26.6
97.06496	2.9
98.97559	47.5
105.07008	46.4
107.08582	53.0
109.10161	15.6
111.08077	2.2
111.91026	1.7
116.98594	45.4
117.07021	7.3
118.61442	2.0
119.04951	2.2
119.08569	51.2
121.06487	2.1
121.10129	7.6
123.08029	2.2
123.11674	7.0
127.11210	2.6
129.06970	2.3
131.08478	1.9
132.48497	1.8
133.06458	11.5
133.10143	12.7
134.99625	40.5
135.11670	51.2
137.09572	2.0
145.10127	8.1
147.08023	10.4
147.11662	17.0
149.02338	11.3
149.03824	1.7
153.00691	10.0
157.06433	2.3
158.01210	12.7
161.13240	7.5
175.07529	10.7
176.02325	2.3
177.05374	2.9
203.17973	15.7
221.07533	2.9
221.18976	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	221.1898
Annotation	Fokienol
Peak:m/z	Relative Intensity
52.93041	1.1
53.03927	1.0
54.76508	1.0
54.79207	1.1
55.05508	10.2
56.96565	1.8
57.07066	2.4
60.69665	1.0
61.79197	1.2
67.05481	6.4
67.93319	1.2
69.03392	1.5
69.07051	7.8
69.92316	1.2
71.04971	14.6
79.05482	15.6
81.07035	100.0
85.02859	1.1
91.05450	9.7
93.07020	42.8
95.04932	1.6
95.08574	15.5
97.02835	1.4
97.06520	1.3
98.97568	22.7
99.08121	1.5
105.06360	2.2
105.07011	41.6
107.08572	40.1
109.10127	15.3
116.98588	20.2
119.08558	56.9
121.06500	2.1
121.10136	1.3
123.08040	6.5
123.11665	2.4
127.11160	5.8
133.10056	10.8
134.99649	10.1
135.11665	40.2
147.11633	12.6
149.13219	5.3
151.07553	1.9
158.01286	1.7
161.13223	2.8
175.11182	1.5
202.08356	1.4
203.17886	16.0
221.11597	1.4
221.18962	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	221.1535
Annotation	Oblongolide
Peak:m/z	Relative Intensity
50.39579	2.2
51.66106	1.8
53.03927	2.5
55.05491	13.1
56.96548	10.6
57.07046	3.6
58.99063	2.4
62.90276	2.0
64.69245	2.2
67.05486	18.5
68.08731	1.9
69.03399	2.6
69.07046	9.9
71.04968	14.6
79.05470	24.1
81.07031	34.4
81.34843	2.2
83.04927	2.3
84.18492	2.2
85.06519	9.1
87.04446	28.9
91.05453	37.5
92.09398	3.8
93.06427	3.0
93.07022	94.6
95.04945	19.6
95.08600	42.2
97.06516	19.7
98.97561	77.4
105.07014	54.6
107.08574	100.0
109.06490	42.6
109.10144	9.6
111.08058	14.9
116.98595	79.2
117.06984	11.8
119.08572	37.6
121.10088	9.5
128.06224	4.4
129.06978	3.7
130.07761	4.5
131.08525	13.0
133.10103	10.6
134.99626	59.7
135.11664	40.9
137.09587	9.7
142.07732	8.9
142.13187	2.1
143.08513	3.8
144.09320	2.6
145.10114	33.4
153.00699	14.4
157.10104	10.1
158.01216	11.4
159.11665	11.1
161.13226	11.8
175.14861	2.8
176.02214	9.1
203.14238	2.7
221.15242	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	221.1898
Annotation	Helianthol A
Peak:m/z	Relative Intensity
55.05502	12.6
56.96550	27.2
57.07053	2.8
67.05486	12.8
69.03392	2.6
69.07051	13.1
71.04987	13.4
79.05476	24.8
81.07036	86.8
83.04974	3.6
83.08598	3.3
91.05447	20.1
93.07025	47.0
95.04925	3.6
95.08581	24.0
97.06548	3.2
98.97561	96.4
105.07009	39.5
105.07639	2.5
107.08577	71.9
109.06499	8.4
109.10142	20.0
116.98598	100.0
117.06991	2.9
119.08549	49.5
120.95048	2.1
121.10111	8.6
123.08080	2.6
123.11689	13.3
127.11175	2.5
127.95338	2.0
131.08493	2.6
133.10101	29.8
134.99628	83.4
135.08025	2.8
135.11662	74.6
140.00179	3.9
143.08521	2.5
145.10101	8.2
147.07997	3.2
147.11639	21.2
149.13322	2.6
153.00703	19.4
154.12547	1.8
158.01234	26.6
159.11655	2.5
161.13245	10.3
175.14804	3.5
176.02217	3.1
186.07106	2.2
192.10750	1.9
203.14270	4.6
203.17929	23.7
221.07521	2.0
221.15405	7.2
221.19008	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	221.1535
Annotation	Montiporyne H
Peak:m/z	Relative Intensity
50.57730	1.4
53.03940	3.8
55.01857	2.8
55.05497	8.5
56.96551	9.1
57.07056	2.9
59.04994	2.5
61.02909	9.9
66.44682	1.6
67.05489	20.2
69.07057	9.2
71.04983	23.7
79.05482	18.5
81.07039	35.7
83.04971	3.1
83.08570	2.3
85.06532	3.5
87.04449	2.8
91.05457	37.3
92.09299	3.7
93.07021	100.0
95.04944	24.9
95.08590	43.1
97.06512	13.3
98.97555	71.7
103.05425	2.0
105.07009	77.2
107.08569	35.8
109.06494	34.6
109.10130	7.1
111.08076	13.8
116.98593	81.0
117.07000	17.7
119.08549	52.0
121.10145	3.3
123.08044	1.8
127.07422	1.6
128.06224	7.4
129.06978	14.2
130.07767	11.5
131.08577	14.7
133.10107	10.3
134.99629	66.4
135.08047	2.3
135.11682	8.8
137.09573	13.7
140.00145	3.1
141.06949	6.3
142.07764	25.9
143.08513	14.4
144.09340	3.4
145.10103	40.7
153.00705	14.6
155.08517	3.0
156.09407	3.6
157.10092	26.4
158.01228	18.8
159.11670	31.0
161.13200	6.8
163.11183	2.4
176.02303	2.8
182.30373	1.7
185.13254	4.0
199.28600	1.9
221.11716	1.9
221.15335	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.117
Annotation	Unknow
Peak:m/z	Relative Intensity
51.15063	0.8
53.00295	1.1
53.03936	2.1
55.01862	0.8
55.05502	21.1
56.96558	1.8
57.07067	4.0
65.03918	1.1
67.05491	15.7
69.03401	4.3
69.07051	10.3
71.04972	17.1
77.17672	0.8
79.05468	22.0
81.07036	100.0
83.04972	14.6
83.08624	1.5
91.05455	25.0
93.07023	58.3
93.95992	1.0
95.04967	9.4
95.08585	31.4
97.06516	1.0
98.97560	9.9
99.08064	2.3
103.05450	5.2
105.07012	53.2
107.04956	1.2
107.08572	49.0
108.05740	4.6
109.06493	2.3
109.10132	18.7
111.04420	5.1
111.08052	1.2
113.09623	0.9
116.98608	7.8
117.07022	4.7
119.04925	4.4
119.08553	61.2
121.06480	15.0
121.10123	6.1
123.08035	36.2
123.11639	6.7
124.08327	1.0
127.11179	5.0
131.08545	2.2
133.06564	1.4
133.07599	0.9
133.10101	13.5
134.99612	7.2
135.08023	2.0
135.11667	48.9
137.05969	4.4
142.07771	2.0
145.10042	1.8
147.04459	1.2
147.08002	2.0
147.11650	22.9
149.02341	1.3
149.05942	2.1
149.13258	4.1
151.07536	18.5
153.00664	1.0
157.10107	2.3
159.11639	2.0
161.05997	1.5
161.09572	2.1
161.13258	1.8
165.05466	2.0
167.06999	11.4
175.11145	13.6
195.41063	0.9
203.07143	1.0
203.10672	3.9
203.17909	17.5
221.11752	4.1
221.18976	16.4
241.00307	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.092
Annotation	5-Hydroxy-L-tryptophan
Peak:m/z	Relative Intensity
55.01867	0.5
57.03425	0.7
61.66282	0.3
65.15210	0.3
68.04992	0.6
68.71486	0.4
69.05334	0.4
70.03744	0.4
73.02885	0.5
74.02419	0.8
74.06075	0.8
84.04497	1.9
85.02869	0.4
97.04778	0.4
98.06040	0.4
101.02364	0.8
103.05441	0.6
105.07015	0.9
106.06531	7.1
107.04955	1.0
111.06390	0.4
115.05406	4.1
116.93392	0.3
117.05727	4.0
120.08099	0.5
128.03387	0.7
129.03772	0.6
130.06494	4.1
131.04872	4.5
132.08064	6.2
133.05211	2.3
133.06448	0.9
134.05984	71.2
142.06470	1.4
143.05283	0.4
143.07150	0.6
144.05496	0.5
146.05981	6.1
147.06667	0.4
148.07541	8.4
158.05980	16.5
159.06752	10.1
160.03951	0.6
160.07542	25.2
162.05464	100.0
173.24719	0.5
175.08632	7.3
176.07025	0.5
185.06450	0.5
186.05453	11.1
203.07399	1.9
204.06519	79.1
216.24393	0.5
221.08838	0.9
223.44507	0.4
244.73257	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0807
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03924	0.3
55.05499	5.1
56.96550	0.4
57.03434	0.4
65.03912	2.4
67.05474	0.6
69.07024	0.3
71.04987	0.4
79.05465	1.3
79.92828	0.3
81.07032	3.5
91.05450	1.9
93.03378	1.4
93.07028	1.3
95.01318	0.4
95.08577	0.7
98.97569	1.6
105.06995	2.2
107.08565	1.9
109.10126	0.8
111.04446	0.6
115.05428	0.7
116.98595	0.6
117.07009	0.5
119.08537	2.5
121.02836	10.8
121.03848	0.8
128.06203	3.2
129.06938	1.5
130.07327	0.6
131.08516	2.1
132.08856	0.4
133.10120	0.5
135.11673	1.6
141.06976	0.5
143.04895	0.7
143.07594	0.5
143.08548	2.2
145.06448	0.8
146.40627	0.3
147.04413	0.4
147.11543	0.5
149.02316	100.0
151.07539	2.9
151.08617	0.3
159.07745	0.5
160.05173	0.6
160.59445	0.4
161.05962	0.8
161.08568	0.4
167.03410	0.8
171.07991	2.1
171.64676	0.4
174.06697	1.7
175.07466	6.6
175.11105	0.4
176.07304	2.4
177.09113	0.6
187.07104	0.5
188.08473	0.5
190.09404	0.8
191.09662	1.8
197.78122	0.3
202.09311	0.4
203.06955	1.5
203.10820	3.5
203.17911	0.5
220.10530	0.6
221.08043	2.2
221.10797	2.4
221.19032	0.5
231.46635	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0919
Annotation	Oxitriptan 1
Peak:m/z	Relative Intensity
54.53061	0.4
58.27525	0.5
61.50502	0.5
74.02392	0.6
75.32588	0.5
81.13895	0.6
99.07645	0.5
99.38032	0.6
103.05454	0.6
105.06980	0.8
106.06528	5.9
107.04898	0.7
109.20172	0.5
112.61520	0.6
115.05444	5.8
115.85735	0.8
117.05737	1.4
120.08117	0.6
130.06485	7.7
131.04907	3.3
132.04428	3.3
132.08054	7.3
133.05193	2.8
133.06342	0.7
134.05984	72.9
142.06506	0.8
144.05505	0.8
146.05983	6.8
148.07535	7.4
157.07588	3.5
158.05972	23.3
159.06757	11.0
160.07549	24.1
162.05463	100.0
163.88846	0.6
175.08617	9.9
186.05424	9.9
204.06520	76.7
221.09216	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	221.0504
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96553	3.0
65.66319	0.3
76.56319	0.3
77.34087	0.2
88.55265	0.3
98.97557	15.6
100.02443	1.3
100.97162	1.5
100.97985	0.7
101.00857	10.4
101.97188	0.4
111.75192	0.3
116.98595	11.8
117.98914	0.6
118.03477	1.2
118.98182	1.5
119.01892	100.0
120.01993	0.4
134.99628	8.4
136.99229	1.2
137.02925	49.6
137.99202	0.4
138.98961	0.4
140.00139	0.3
142.03508	2.1
143.03563	0.5
153.00706	1.8
160.04530	1.5
161.01466	0.5
161.02910	12.9
161.04355	0.7
177.00940	0.3
179.02408	1.3
179.03964	34.5
195.98203	0.3
197.99110	0.7
203.04019	0.4
221.01682	0.5
221.05048	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	220.0816
Annotation	N-Acetyl-D-mannosaminolactone
Peak:m/z	Relative Intensity
50.88226	1.2
54.03269	1.1
54.03468	18.0
55.05495	2.2
56.05018	2.6
57.03426	4.9
59.29478	1.3
61.02915	5.6
68.04649	2.9
68.05013	65.0
69.03415	8.4
70.02940	2.2
70.06574	1.9
72.08118	1.8
73.02893	7.2
74.02410	2.3
80.04990	6.3
82.06557	7.0
84.04485	61.2
85.02921	4.5
86.06042	3.2
88.03988	2.1
94.02913	1.3
94.06556	2.1
96.04460	51.8
97.02852	2.1
98.06020	2.2
100.03957	3.1
102.05531	5.5
110.06022	45.8
110.09657	3.1
112.03952	7.6
114.05508	27.7
116.03384	1.5
120.04465	2.6
122.05997	2.0
124.03944	10.5
126.05473	2.6
128.03410	100.0
128.07072	2.9
130.04959	22.6
132.06528	1.7
134.05971	6.0
136.03928	5.9
138.05469	33.2
142.04970	53.0
148.03931	1.5
154.04953	2.9
156.06523	45.9
156.10228	1.4
160.06012	8.9
160.07478	2.1
162.05449	11.9
166.04945	15.8
172.06091	1.5
174.07611	10.2
174.11281	2.1
184.06015	41.1
202.07065	99.8
204.06480	9.4
220.06041	2.6
220.08128	53.5
220.11620	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	219.1014
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
58.31269	1.5
58.70191	1.6
67.05447	1.6
91.05453	9.7
103.05444	3.8
110.12215	1.8
114.99411	1.7
115.05422	11.9
116.06210	2.5
117.06977	2.2
128.06178	13.5
129.06979	58.0
131.04906	8.6
131.08545	45.3
141.06975	53.5
143.04951	2.0
144.05714	7.1
145.06467	10.5
146.07207	6.9
157.06483	26.8
158.07234	26.8
159.04443	6.9
159.08057	22.7
160.05171	8.2
161.09572	3.0
163.07521	2.0
169.06433	16.0
170.07242	13.5
173.05896	8.1
174.06734	100.0
174.08267	3.4
175.07520	15.9
182.52547	1.9
186.06746	20.8
188.08289	4.1
189.09074	76.1
191.10635	3.1
201.09108	38.3
216.65927	1.9
219.10139	76.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01865	4.6
55.05505	4.7
56.05025	4.3
56.05834	0.4
57.03407	0.4
67.05475	0.8
70.06577	1.4
71.07361	0.4
72.04496	0.8
73.02896	3.4
73.06538	1.5
73.47104	0.3
81.03391	0.3
82.06565	0.4
83.04963	2.6
84.05285	0.5
84.08125	100.0
85.06470	2.7
90.05535	2.6
98.06009	1.7
98.97533	2.7
101.05997	0.5
111.04410	0.8
112.04785	0.7
112.07557	3.3
116.07124	0.6
116.98601	1.4
126.05547	0.4
126.09122	31.4
128.03404	2.0
128.07045	1.4
143.09422	0.6
144.06558	0.9
144.10176	46.1
154.08630	1.8
155.07079	0.5
156.07393	0.5
172.09645	47.2
173.08058	0.5
182.08208	0.5
186.07535	2.8
200.09140	25.7
217.10548	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	219.0265
Annotation	Unknow
Peak:m/z	Relative Intensity
55.60398	19.6
55.97470	17.3
57.03390	23.5
70.14660	21.7
72.08128	100.0
85.02928	24.3
98.55449	26.0
192.76961	24.4
208.27223	27.0
219.02603	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	219.1015
Annotation	1,2,3-Trimethoxynaphthalene
Peak:m/z	Relative Intensity
51.15108	1.4
53.27168	1.2
53.28393	1.3
56.87943	1.4
57.03422	2.2
69.16702	1.8
72.26417	1.5
80.56552	1.5
86.92255	1.6
91.05441	11.3
92.09226	2.5
98.97565	2.3
103.05383	2.4
105.07006	3.3
107.08487	1.7
111.64477	1.7
115.05421	14.1
116.06231	2.7
117.06985	2.0
119.08524	2.0
121.31155	1.6
128.06168	12.4
129.06982	53.4
130.07774	2.5
131.04877	9.7
131.07632	2.7
131.08546	48.6
132.19060	1.6
133.10149	1.7
137.05968	3.9
141.06975	41.9
144.05704	7.3
145.06458	8.5
146.07254	10.3
157.06461	19.7
158.07251	32.4
159.04372	7.4
159.08035	20.8
160.05176	9.8
161.09567	2.3
169.06454	18.3
170.07175	8.7
173.05914	3.9
173.09605	1.8
174.06734	100.0
174.08270	3.4
175.07494	8.4
186.06744	21.6
188.08333	2.4
189.07413	3.3
189.09068	83.5
191.10652	3.7
201.09099	32.7
219.10112	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	218.1023
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94234	0.3
55.01873	3.9
55.05510	3.8
56.05025	1.6
57.03424	0.9
57.07059	0.3
62.24232	0.3
67.05491	0.7
71.07354	1.6
72.04509	0.7
73.02899	3.0
73.06544	0.7
81.41278	0.4
82.06590	0.6
83.04986	2.7
84.08131	100.0
85.06532	1.9
90.05565	3.5
98.97572	1.8
101.06022	0.7
103.61603	0.4
111.04453	0.6
112.07584	2.8
119.22718	0.3
126.08201	0.9
126.09138	27.1
128.03447	2.1
128.07037	1.5
143.09433	0.5
144.10182	42.9
154.08641	2.1
154.73517	0.4
156.07300	0.5
172.09654	44.0
182.08124	0.6
195.01706	0.5
200.09158	24.7
238.87637	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.9959
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05502	2.8
56.96561	8.8
58.99854	0.9
83.04967	4.7
85.01421	1.0
85.88769	0.7
90.71758	0.6
92.64995	0.7
98.97565	7.3
99.21243	0.7
101.00865	10.0
101.06012	1.4
103.02422	7.1
111.04405	3.9
116.98580	3.3
119.01895	59.6
121.03455	4.7
127.02427	1.0
130.52884	0.7
131.01883	5.8
134.99638	1.5
135.03166	0.7
136.93062	1.0
137.02931	18.4
137.99687	0.9
138.02649	1.4
138.96416	3.3
145.03448	22.2
145.98534	4.8
146.98557	0.8
147.01395	3.1
149.02911	2.8
152.97418	1.1
154.94131	3.1
155.06972	4.2
156.97450	76.1
163.04480	16.0
171.01424	2.7
172.95169	1.4
173.02943	0.8
173.08028	5.1
174.98497	100.0
180.97339	1.2
189.02428	5.5
190.96259	1.0
191.99521	1.0
193.02017	0.8
198.98515	18.3
199.00296	1.4
200.93027	2.7
207.03438	4.8
209.93555	3.0
216.96260	1.6
216.99557	59.0
217.10631	2.8
230.94180	0.8
235.03108	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	218.1022
Annotation	Unknow
Peak:m/z	Relative Intensity
50.15272	0.5
52.58185	0.4
53.03936	0.5
54.81979	0.5
55.01857	3.6
55.05504	13.1
56.05019	2.6
56.05841	3.6
57.03425	1.3
57.07059	0.5
59.04977	0.6
63.09390	0.4
67.05491	2.2
68.05022	1.0
70.06580	2.6
72.04497	0.9
72.08128	2.7
73.02893	3.3
73.06532	0.7
74.13634	0.5
77.31708	0.5
81.03383	0.8
82.06553	2.8
83.04964	13.1
84.04491	1.8
84.05294	6.5
84.08127	100.0
85.02868	0.9
85.06532	3.1
86.06053	1.2
87.04470	0.5
89.02372	0.7
89.06008	0.9
90.05540	2.9
95.85297	0.5
96.04473	2.4
97.04792	0.6
98.06059	1.3
99.04413	1.1
100.03982	0.7
101.05995	3.8
102.06327	2.3
108.04466	0.6
108.08093	2.4
111.04428	12.1
112.03997	1.1
112.04742	8.4
112.07587	2.9
113.05993	1.0
114.06328	0.7
122.73654	0.5
126.05492	1.2
126.09129	34.4
127.03882	0.5
128.03482	0.8
128.07036	3.1
128.07855	0.6
129.05479	2.9
130.05836	1.2
136.07565	0.8
137.10738	0.5
140.07115	0.7
143.09471	0.6
144.06583	1.1
144.10178	42.4
153.31819	0.5
154.08627	7.0
155.06998	7.6
156.07344	12.0
158.04468	0.8
172.06053	2.3
172.09647	48.6
173.08080	5.3
174.08418	8.7
186.07594	1.2
200.09132	22.5
200.10909	0.9
217.10696	1.2
218.07002	0.5
218.10641	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	215.139
Annotation	H-Pro-Val-OH
Peak:m/z	Relative Intensity
56.96556	0.6
57.03416	0.4
58.06308	0.5
58.06586	12.2
59.07353	0.8
60.08143	1.9
60.87819	0.4
62.02761	0.4
63.95623	0.4
68.04984	0.6
70.06573	9.4
71.04947	0.7
72.08133	28.0
81.03389	0.5
82.06512	0.5
84.08130	11.6
85.02896	0.5
86.06055	0.5
86.09681	0.9
88.07594	0.8
98.06013	2.6
98.09653	1.0
100.03947	0.5
100.07597	1.0
105.93599	0.4
110.45557	0.4
112.07578	2.8
112.12618	0.6
114.05502	0.8
114.16118	0.4
115.93282	0.4
116.03413	0.6
116.07054	2.4
116.10703	1.0
126.09119	0.8
128.07053	2.6
128.10663	0.8
141.18550	0.4
156.06567	1.9
160.09668	1.9
169.13322	53.7
215.01576	1.9
215.13873	100.0
225.88164	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	216.0866
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81086	0.5
55.05495	2.9
56.05022	0.8
56.96549	2.0
57.07059	5.1
57.14021	0.5
58.06582	2.0
60.04504	1.1
62.52082	0.4
63.69279	0.4
70.02930	0.9
70.06564	2.6
71.07365	3.8
72.08123	0.7
79.05460	0.5
81.05755	0.6
82.06580	1.2
83.04977	0.9
84.08123	100.0
84.42794	0.5
85.05753	0.5
85.06531	3.5
86.06037	2.9
86.09684	31.4
88.03967	16.7
94.06537	3.2
96.08098	4.7
97.39970	0.5
110.97553	0.5
114.09140	21.3
115.80267	0.5
116.03418	14.3
121.00787	0.5
125.00636	0.4
132.06563	0.7
139.01808	0.8
139.89938	0.5
142.08626	2.2
153.00014	0.7
160.09650	55.9
174.99155	1.1
179.93117	0.5
188.09132	26.0
198.07668	0.6
216.08574	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	213.1848
Annotation	Unknow
Peak:m/z	Relative Intensity
50.32169	0.5
55.01854	4.4
55.05503	21.7
57.07061	6.6
67.05486	8.3
69.03397	4.2
69.07050	36.3
71.04978	6.9
71.08616	0.7
79.05479	13.0
81.07034	31.4
83.08598	18.0
85.06538	6.6
86.69611	0.7
88.07558	0.7
91.05450	6.5
93.07022	29.3
95.08578	66.0
97.06522	0.8
97.10147	12.9
97.78659	0.7
98.97523	1.2
99.08063	28.2
105.06999	6.4
107.08572	64.8
109.06495	0.9
109.10136	17.0
111.08063	17.0
113.09613	3.3
118.16291	0.7
119.08540	1.1
121.10114	100.0
123.08028	0.7
123.11681	2.9
125.09599	9.8
135.11665	18.2
137.13228	11.9
139.11150	1.1
149.13242	6.6
149.32982	0.7
177.16342	95.9
195.17389	14.8
213.18465	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	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
51.07660	0.5
51.54763	0.5
52.40018	0.5
55.01864	6.2
55.05502	21.1
57.06854	0.4
57.07062	6.9
57.21475	0.5
66.53344	0.6
67.05499	7.3
69.03410	3.7
69.07051	34.0
71.04976	5.5
79.05475	9.2
80.89656	0.6
81.07033	29.7
81.35033	0.5
83.08118	0.9
83.08593	17.4
85.06522	7.6
91.05460	5.2
93.07014	30.4
95.08575	61.0
97.06511	0.6
97.10138	14.6
99.08067	25.5
103.67614	0.5
105.07015	7.5
107.08569	60.7
109.06432	0.7
109.10133	15.6
111.08062	17.7
111.11728	0.6
113.09615	4.8
119.08564	1.2
121.10111	100.0
123.08037	1.2
123.11657	2.1
125.09570	7.8
125.13235	0.6
135.11667	20.8
137.13214	11.8
139.11168	3.0
149.13234	5.9
177.16338	98.1
185.40027	0.6
195.17375	12.5
213.18431	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	215.139
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22438	0.7
58.06595	12.1
60.08139	1.1
60.28213	0.7
70.06572	7.6
72.08138	88.4
79.81412	0.8
84.08125	13.7
86.09677	1.3
98.06026	2.7
98.09627	1.2
100.07570	1.1
105.72321	0.8
109.78708	0.8
112.07575	4.0
114.05524	1.0
116.03424	0.8
116.10719	1.5
128.07004	2.0
150.96857	1.4
156.06500	1.2
160.09676	3.2
169.13330	48.0
170.08290	0.9
187.69330	0.9
215.01607	1.2
215.13881	100.0
231.84087	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.1847
Annotation	Tectoionol B
Peak:m/z	Relative Intensity
53.00313	2.0
53.78391	1.9
55.01849	5.0
55.05500	47.3
56.96571	3.4
57.03407	3.1
57.07058	5.4
59.04962	2.9
63.25728	2.4
64.67483	2.0
67.05479	34.3
69.03404	4.6
69.07048	100.0
71.04966	18.9
79.05468	15.3
81.07034	54.0
83.04964	5.4
83.08611	15.9
85.06512	29.0
86.03326	2.3
88.07610	28.8
90.16210	2.2
90.94801	2.8
91.05460	9.1
93.07005	36.0
95.08583	59.1
95.77576	2.2
97.06499	5.4
97.10133	15.6
99.08083	19.5
105.06986	3.3
107.08559	46.8
109.10127	46.8
111.08063	4.5
111.11744	2.6
113.09629	8.6
121.10110	43.0
123.11648	5.3
125.09607	9.6
135.11629	20.3
137.13213	11.1
139.11145	5.7
149.13181	5.1
153.12758	10.5
177.16354	35.6
195.17340	18.5
213.05403	3.0
213.11060	3.0
213.16281	3.4
213.18491	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	213.1485
Annotation	3,7-Dimethyl-2,5-octadiene-1,7-diol
Peak:m/z	Relative Intensity
50.93548	2.4
53.00273	2.3
55.01844	2.7
55.05502	48.2
57.03407	6.8
57.07061	20.7
57.42655	2.6
63.66106	2.7
67.05199	2.4
67.05496	41.4
69.07040	18.1
70.06584	3.4
71.04987	2.7
72.22809	2.6
79.05473	31.0
81.07047	55.7
83.04961	20.1
83.08601	11.0
85.06521	4.9
88.07610	34.7
90.90347	4.5
91.05470	22.9
91.64417	2.9
93.06501	3.1
93.07033	55.1
95.04971	5.3
95.08591	29.2
97.06499	17.2
105.06992	12.5
107.08585	43.3
109.06496	5.1
111.04426	100.0
111.08067	10.5
114.05519	3.5
117.06985	6.3
119.08579	5.5
119.55134	2.8
121.10091	13.9
124.86266	3.1
125.05965	37.9
131.08507	4.3
133.10062	3.9
135.08064	25.4
135.11644	19.6
139.07549	3.1
145.10106	14.6
149.13234	15.0
157.10101	4.0
159.11668	5.5
163.11160	17.6
177.12703	3.5
181.12178	29.6
187.46848	3.2
195.13704	6.2
209.30716	3.7
213.16159	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	213.112
Annotation	Unknow
Peak:m/z	Relative Intensity
50.83022	0.6
53.00299	0.8
55.01860	1.7
55.05495	1.4
56.96548	3.9
57.03423	1.0
58.63821	0.7
59.65488	0.9
63.78628	0.7
67.05482	4.8
69.03397	1.4
69.07023	1.0
74.01972	0.7
77.02849	0.8
78.04681	3.2
79.05470	12.4
81.03374	1.3
81.07031	4.7
82.03716	0.8
83.04959	0.9
85.06524	1.5
85.50738	0.7
88.07619	7.1
91.05470	7.8
93.07027	4.5
95.04935	7.3
95.08585	3.7
97.06503	1.0
98.97557	18.7
99.04460	1.1
99.90561	0.7
103.05448	10.5
105.07004	10.3
106.04163	1.1
107.04933	67.1
107.08575	3.7
108.09874	0.7
109.02837	1.5
109.06469	1.5
111.04406	0.9
115.05437	4.7
116.98601	10.2
117.06941	1.6
119.08516	1.7
120.05721	3.6
121.06468	1.7
121.10129	1.6
123.04389	8.8
123.08016	1.8
124.05185	4.9
128.98555	0.9
131.04877	1.7
134.99599	4.2
135.04330	1.0
135.08011	14.6
135.11629	1.0
137.05980	1.6
139.03891	0.9
145.07666	0.9
147.04347	1.1
147.11667	1.1
148.97272	3.0
149.09589	4.0
151.03816	1.2
152.04636	3.5
154.06172	1.5
158.99599	1.6
162.36293	0.8
163.07504	18.1
167.06992	100.0
177.00696	4.6
180.07819	3.3
195.10100	13.6
195.13753	1.1
213.11177	3.7
213.15897	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	C-veratroylglycol
Peak:m/z	Relative Intensity
53.03927	1.7
55.01858	1.2
61.02919	9.6
64.33114	1.2
65.03935	7.8
67.05487	6.3
67.36427	1.0
73.77793	1.2
73.80325	1.0
79.05476	20.8
81.03408	2.3
82.03722	1.2
89.03864	1.2
91.05471	6.0
93.03373	8.3
95.04937	4.4
98.97569	1.2
100.99394	1.1
105.03361	2.7
107.04939	28.8
108.02092	2.6
109.02867	4.4
110.03667	27.5
111.04423	20.0
112.62805	1.1
112.95613	1.1
117.03359	2.3
117.87232	1.1
119.04986	1.1
121.06485	11.9
121.64517	1.0
122.03609	10.4
125.05967	43.2
133.02811	14.0
135.04401	24.3
137.05949	6.2
141.05470	9.7
148.97334	1.7
149.05943	17.8
150.03101	12.5
150.63464	1.1
151.03897	100.0
151.05020	13.1
153.05431	9.4
163.03893	7.9
164.31714	1.0
165.05437	42.1
167.07008	10.9
177.05444	14.2
195.06444	12.1
203.58026	1.1
213.07561	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	213.112
Annotation	1-(3,4-Dimethoxyphenyl)-1,3-propanediol
Peak:m/z	Relative Intensity
50.00047	0.7
53.03929	0.9
55.01868	1.2
55.05492	3.4
56.96544	4.9
58.09608	0.6
61.02901	0.7
65.03944	1.0
67.05484	4.8
67.92771	0.7
69.03412	1.9
69.07045	1.8
71.04970	1.1
78.04688	4.0
79.05470	11.4
81.03410	1.2
81.07036	3.0
83.04951	1.2
85.06509	1.2
88.07610	5.5
91.05447	7.1
93.07028	5.1
95.04935	4.4
95.08582	4.9
97.06487	1.1
98.97552	19.4
99.04451	1.3
99.08064	1.0
100.80934	0.7
103.05454	8.6
105.06992	10.5
106.04129	1.3
107.04935	61.8
107.08603	3.2
109.06504	1.9
109.10113	0.7
115.05425	3.9
116.98600	12.5
117.06995	1.5
119.08574	1.7
120.05698	1.8
121.06531	1.4
121.10096	1.3
123.04415	7.6
123.08067	1.7
124.05177	4.7
125.05939	1.4
125.09651	1.2
128.12193	0.9
130.96257	0.9
131.04860	1.4
134.99640	5.9
135.08014	14.1
137.05980	1.0
145.07571	1.0
147.04425	1.0
147.11714	4.0
148.97411	2.6
149.09541	1.9
151.03960	1.3
151.07530	2.0
152.04567	0.8
154.06255	3.6
155.69310	0.7
158.99625	1.4
163.07507	14.8
167.07005	100.0
177.00685	4.7
180.07719	3.4
195.10117	9.6
213.11156	3.1
217.46750	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0757
Annotation	Vanillactic acid
Peak:m/z	Relative Intensity
50.80752	0.7
53.03932	4.1
55.01863	3.5
55.05487	1.9
56.96553	4.6
57.03428	1.7
64.05219	0.8
65.03931	2.0
67.05485	1.9
68.99787	0.8
69.03416	3.6
69.07043	0.9
70.06580	2.0
70.94247	1.1
73.02896	6.1
74.02418	0.8
78.04688	1.4
79.05473	12.7
81.03396	9.9
81.07042	7.4
82.03735	1.7
83.04948	1.6
85.02896	1.4
88.07608	10.1
88.95296	1.1
89.03898	1.8
89.48786	0.8
91.05463	17.2
93.07032	4.9
95.04951	15.0
97.06516	1.3
98.97553	8.0
99.04444	0.8
105.03373	3.5
105.04482	1.4
105.07013	3.3
106.04203	1.1
107.04939	72.3
107.08582	6.6
109.02852	7.8
109.06487	4.2
109.10143	1.2
110.03201	3.3
111.04413	5.3
116.98606	6.1
119.01900	1.1
119.04899	9.9
119.08559	1.7
120.05656	1.3
121.02874	4.4
121.10125	3.7
123.04409	12.1
123.07986	1.2
124.05191	1.8
125.02295	6.3
125.05979	1.0
126.83839	0.8
127.03895	1.2
129.74832	0.8
130.96251	1.8
131.08583	1.2
134.99635	1.3
135.04393	20.0
135.05382	1.4
137.05954	16.8
139.03885	1.0
140.04660	100.0
141.05414	3.2
145.03969	5.3
148.97333	9.4
149.09608	7.3
151.07500	1.4
153.05359	0.8
155.07001	36.9
157.04861	3.1
161.02921	1.7
163.03874	33.0
167.03369	21.0
167.07007	24.3
167.08414	1.4
167.10632	1.6
173.08070	3.7
177.00621	1.0
177.09097	1.9
185.07085	1.0
193.26614	1.0
194.54570	0.9
195.02922	3.9
195.06528	6.7
195.08122	0.9
195.10089	1.7
201.31862	0.9
207.98741	0.9
213.07535	8.2
213.11209	1.0
213.16216	1.2
220.49159	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	212.1127
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03928	4.2
55.01838	1.0
56.96546	1.7
57.03426	7.1
59.04987	1.3
60.36332	0.7
65.35387	0.7
66.86852	0.7
69.03410	8.1
70.06567	1.0
71.04976	9.9
73.02896	1.6
75.04449	1.8
81.03397	100.0
85.02890	10.6
92.08599	0.8
99.04434	10.0
102.39419	0.9
109.02860	90.2
111.00185	0.9
113.05967	5.5
117.05451	3.6
127.03872	14.9
131.07068	1.6
136.07544	3.6
141.05438	3.3
156.64651	0.9
164.07021	0.9
169.43582	0.8
171.30879	0.9
177.07552	3.4
194.08022	1.0
195.08617	8.0
200.86127	0.9
212.09067	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	213.0758
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	1.1
55.01858	1.6
55.05492	1.0
59.87897	1.0
61.02907	10.1
61.54719	1.2
65.03918	9.2
67.05484	4.6
69.07082	1.2
79.05473	22.7
81.03398	5.3
82.03738	2.9
88.07631	2.8
89.03939	1.3
91.05448	4.9
93.03380	9.5
95.04971	4.8
105.03393	1.7
107.04218	1.2
107.04949	35.0
108.02084	1.9
109.02872	5.7
110.03685	26.3
111.04423	19.5
114.34476	1.3
121.06504	12.1
122.03616	5.8
125.05054	1.6
125.05966	42.9
127.03874	1.2
130.96246	1.2
133.02818	14.8
135.04384	25.9
137.05943	5.6
141.05461	7.4
148.97353	5.7
149.05937	15.6
150.03116	13.9
151.03902	100.0
151.05031	14.6
153.05403	9.4
163.03903	5.0
165.05440	33.9
167.05788	1.1
167.06956	9.4
177.05461	14.2
195.06502	10.3
213.07564	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	212.0918
Annotation	CJ 14877
Peak:m/z	Relative Intensity
53.03930	2.0
53.64566	0.4
54.86916	0.5
56.96536	0.8
57.03408	1.0
69.03413	4.9
70.06567	4.1
71.04971	5.6
81.03397	50.6
85.02908	5.4
96.08082	0.6
99.04391	3.2
109.02861	41.0
113.05971	0.8
119.04823	0.7
124.07545	2.5
127.03891	6.6
134.05983	22.5
136.07494	3.0
137.08273	2.4
138.10162	2.5
141.05376	1.4
148.07584	5.1
152.07040	43.2
155.04445	0.6
160.07448	0.9
166.05002	4.7
166.08586	42.6
166.09770	3.8
176.07016	8.3
184.10693	2.5
186.62141	0.6
186.92177	0.7
194.08093	100.0
195.08702	4.9
212.07153	1.3
212.09021	37.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1691
Annotation	3E,5E-tridecadienoic acid
Peak:m/z	Relative Intensity
55.05491	18.7
57.07056	4.7
67.05482	32.5
69.03399	5.5
69.07048	22.0
71.04929	4.1
81.07034	40.6
83.04967	7.7
83.08585	6.2
85.06513	3.7
93.06998	15.1
95.04930	3.9
95.08571	44.1
102.16812	3.1
105.07013	5.9
107.08575	28.8
109.06478	15.9
109.10129	100.0
111.08092	3.6
119.08554	25.0
121.10134	5.2
123.08018	17.2
123.11650	4.2
133.10083	20.4
135.11661	48.9
137.09575	17.0
151.11096	13.2
151.14790	5.0
175.14827	15.7
177.00769	3.4
184.60602	3.3
193.15828	15.4
194.31131	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	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03932	7.0
55.01861	7.2
55.05504	58.7
56.96553	8.0
57.03421	17.2
57.07066	1.7
64.32983	1.1
67.05139	2.1
67.05490	43.4
67.50304	1.0
69.03423	9.0
69.07057	16.5
71.04982	11.3
71.60522	1.0
76.55513	1.4
79.05473	40.7
81.03395	100.0
81.07033	47.9
83.04966	69.0
83.08602	29.0
85.02869	5.6
85.06560	2.6
91.05458	39.3
93.07028	21.6
95.04330	1.4
95.04944	40.7
95.08582	20.8
97.02872	1.2
97.06510	6.8
97.10154	6.8
99.04429	8.7
105.03384	4.6
105.04510	1.2
105.07012	37.8
107.04957	7.8
107.08572	16.9
109.02782	1.2
109.06510	9.8
109.10133	6.2
111.08060	10.7
113.03483	1.2
117.06970	2.3
119.08552	23.6
121.10078	9.0
123.04436	4.9
123.08028	5.2
123.11686	1.2
125.09663	1.6
127.07548	1.4
129.06979	13.0
131.08517	14.7
133.06473	1.7
133.10121	13.4
135.07968	1.6
135.11700	2.4
137.09631	1.7
142.07773	6.5
145.10059	1.6
147.08076	5.0
147.11650	11.7
149.05899	2.5
149.09590	7.1
151.11057	2.2
152.35938	1.1
155.03368	4.5
157.10097	12.4
165.12796	1.9
167.07037	2.2
175.11145	12.1
175.14738	2.0
193.12201	31.9
193.15837	2.3
211.09676	5.7
211.13216	22.6
211.15010	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	(plusmn)7-epi Jasmonic Acid
Peak:m/z	Relative Intensity
53.00269	0.4
53.03936	0.6
54.81164	0.5
55.01867	1.4
55.05500	8.0
56.96546	1.0
57.03424	1.4
57.07069	4.1
59.98000	0.5
65.03901	0.9
67.05486	18.5
69.03401	2.4
69.07052	27.8
71.04974	13.7
79.05474	12.0
81.03415	1.3
81.07034	29.7
83.04968	8.2
83.08614	0.9
85.06519	10.4
89.10312	0.6
91.05455	36.0
93.07018	29.5
95.04939	18.9
95.08574	8.3
97.06479	0.8
99.04420	2.3
99.08093	1.0
100.22954	0.7
103.05447	1.1
105.07008	41.7
107.04923	1.0
107.08575	11.8
109.06499	32.3
109.10139	11.1
111.08051	1.2
113.05992	3.1
117.07007	0.7
119.08553	12.5
121.06455	2.6
121.10135	4.4
123.04378	2.2
123.08025	3.6
123.11650	3.5
125.09659	0.7
127.07531	3.1
129.06926	0.7
131.08543	8.0
133.10098	100.0
135.08014	1.2
135.11661	2.2
137.05965	8.7
137.09586	1.0
145.10071	0.9
147.11662	21.2
149.02309	0.6
149.05879	0.7
149.09575	2.5
151.07504	3.2
151.11153	52.1
155.06989	13.3
165.12740	3.2
167.06955	6.6
175.11185	8.0
175.14734	1.1
193.12195	20.9
193.15895	0.9
211.13226	16.4
211.16756	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1327
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.94665	0.7
53.00284	0.8
53.03938	7.2
55.01852	4.5
55.05502	12.7
56.96565	6.6
57.03427	61.0
64.87704	0.6
65.03931	6.4
65.36380	0.6
65.58662	0.6
67.05145	1.0
67.05492	23.9
69.03393	3.3
69.07055	11.8
70.04173	0.7
71.04975	6.6
77.03939	0.7
78.04679	1.0
79.05470	37.5
81.03391	2.6
81.06596	1.2
81.07037	21.9
83.04958	3.1
83.08609	1.4
84.96021	1.2
85.06515	2.7
87.43892	0.7
91.05459	100.0
92.06248	0.9
93.07021	32.4
95.04330	0.7
95.04947	19.8
95.08582	10.6
97.06516	3.0
97.12768	0.6
97.99126	0.7
103.05441	6.0
104.06239	3.4
105.04482	2.6
105.06998	11.7
107.04942	9.8
107.08576	14.0
109.06498	18.4
109.10139	3.9
110.25251	0.6
111.08064	1.1
115.05482	4.8
115.06130	0.8
117.06989	17.0
119.07710	1.1
119.08547	17.7
120.05696	1.6
121.06477	6.3
121.10118	3.0
122.56258	0.6
123.08058	1.5
125.09596	1.2
128.06183	2.6
129.06978	4.2
131.08543	1.5
132.05692	3.6
133.10103	1.0
135.07997	1.4
137.09656	0.8
144.09354	1.7
146.78746	0.8
147.11552	1.0
148.10733	0.6
148.90575	0.7
149.09621	1.0
159.11719	1.0
160.88199	0.7
165.12715	1.0
167.07043	0.7
167.10646	1.0
175.11006	1.1
193.15869	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1326
Annotation	Ieodomycin B
Peak:m/z	Relative Intensity
50.02546	3.2
51.54858	2.4
52.64836	2.3
53.03936	5.5
53.85907	2.4
55.01867	13.7
55.05504	74.6
55.19387	2.5
56.96567	14.5
57.03427	28.7
57.07064	3.0
58.54288	2.9
67.05491	49.1
69.03408	7.2
69.07054	14.5
71.04972	7.6
79.05477	41.9
81.03400	100.0
81.07037	57.5
83.04961	74.6
83.08610	36.0
84.95993	4.3
85.02870	3.9
85.06486	3.1
91.04935	5.8
91.05452	47.2
93.07024	32.1
95.04942	38.1
95.08580	28.8
97.06490	5.7
97.10146	5.3
105.07009	38.5
107.04935	5.1
107.08558	8.1
109.06504	7.0
109.10146	7.2
111.08073	7.7
119.08543	23.8
121.10133	6.1
123.08055	5.8
123.11771	4.7
125.09631	5.7
129.06999	5.6
131.08559	12.8
133.10107	17.5
137.09669	3.2
147.11659	12.4
149.09666	6.1
157.10132	14.5
167.06946	4.7
167.10516	3.0
175.11191	7.0
177.83371	3.9
193.12178	44.0
211.13278	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	211.0963
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
52.33345	0.2
53.00284	0.2
55.01865	0.4
55.05503	0.6
56.96550	0.2
57.03429	0.4
57.06817	0.3
57.07066	5.6
59.04977	1.5
67.01852	2.5
67.05491	3.6
68.99751	2.0
69.03407	1.1
71.20193	0.2
75.27684	0.3
79.05474	0.4
81.03393	1.3
81.07044	1.2
83.04963	1.1
85.02880	0.6
85.06523	2.4
93.07017	0.5
95.04939	4.4
95.08582	0.5
99.04418	1.1
99.08070	0.5
105.07025	0.3
109.02861	1.7
109.06487	1.3
109.10137	0.5
111.00775	0.4
111.04419	0.6
119.08588	0.3
123.04398	37.1
123.08006	0.6
127.03877	12.0
127.07534	1.9
136.64586	0.2
137.05937	1.7
139.03876	25.4
147.07985	0.5
151.03876	41.9
153.01799	5.1
153.05426	2.7
155.03360	100.0
159.27095	0.3
160.05147	0.3
164.04645	0.6
165.05435	2.8
165.09050	2.6
167.06975	0.4
169.04909	6.7
172.82468	0.3
175.07555	1.4
193.08557	9.8
211.09615	55.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.1329
Annotation	Jasmonic acid
Peak:m/z	Relative Intensity
53.03926	3.4
55.01860	8.8
55.05503	68.1
56.96554	19.5
57.03218	1.8
57.03426	30.7
67.05183	3.1
67.05491	48.7
68.10704	2.2
68.59307	2.1
69.03405	12.2
69.07033	17.9
71.04967	11.3
79.05061	2.5
79.05477	49.3
81.02933	4.6
81.03395	100.0
81.07033	59.2
83.04968	77.9
83.08613	27.2
83.13827	2.4
85.06567	8.1
91.05460	44.1
93.07027	30.3
95.04939	49.0
95.08568	22.4
97.02862	5.7
97.06503	4.6
97.10137	4.4
105.07007	43.2
107.04954	4.7
107.08558	12.8
109.06487	9.4
109.10129	4.8
111.08066	11.9
113.06006	2.5
119.08561	24.2
119.98644	2.3
121.06416	2.6
121.10110	9.8
123.08029	4.0
125.09634	2.8
129.06978	14.2
131.08513	5.4
133.06406	2.9
133.10118	18.2
137.09567	3.6
142.07774	3.6
147.11650	11.4
149.09593	5.5
157.10115	13.5
167.07045	3.5
175.11131	13.9
179.06909	2.4
193.12201	39.7
211.09660	4.0
211.13202	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	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.98919	1.7
53.03939	8.4
55.01857	2.1
55.05231	3.4
55.05501	100.0
57.03428	2.3
57.07070	2.2
59.04985	3.4
61.02929	1.7
67.05477	13.6
69.03410	3.3
69.07053	14.0
71.04964	15.3
74.78175	1.8
75.36965	1.6
76.43071	1.8
79.05466	28.5
81.03393	15.3
81.07037	18.4
83.04961	38.5
83.08598	41.7
85.06523	9.4
91.05453	17.2
93.07016	46.7
95.04938	18.7
95.08583	11.0
97.06502	9.6
97.10123	6.9
98.06465	1.9
99.04449	3.1
105.06991	18.1
107.04933	15.4
107.08567	63.1
109.02859	3.2
109.06488	12.5
109.10135	24.2
111.08083	13.3
113.05981	9.4
113.09644	2.1
117.06940	1.9
119.08569	4.2
121.06471	8.2
121.10110	76.1
121.10970	3.0
123.08009	2.1
123.11693	12.2
125.09600	8.3
131.08539	40.0
133.10094	13.5
135.04401	8.0
138.03049	2.2
141.05452	7.8
145.10112	10.9
149.02333	18.5
149.06061	3.2
149.09605	19.4
149.13278	2.9
151.11142	41.1
153.05447	12.2
153.09032	2.6
163.03873	8.8
163.11142	4.0
163.14806	10.9
166.02620	8.0
167.06993	2.2
167.14268	50.8
170.24144	1.8
173.13231	2.3
181.04865	2.0
191.10631	8.5
191.14290	9.1
194.02065	21.1
209.04399	55.0
209.11748	13.1
209.15320	25.4
224.77971	2.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	211.0964
Annotation	Panepoxydone
Peak:m/z	Relative Intensity
55.01862	3.9
55.05504	17.4
56.96552	16.9
57.03428	22.8
57.07054	9.7
59.04966	1.7
61.02905	2.1
65.03902	4.0
67.05148	3.2
67.05490	78.3
68.99763	3.8
69.03413	13.9
69.07040	7.0
71.04955	3.9
71.35545	1.8
79.05452	11.3
81.03387	3.1
81.07035	35.9
83.04962	10.2
85.06525	100.0
91.05436	11.8
92.09348	2.0
93.07001	10.7
95.04939	10.5
95.08568	19.6
97.06524	2.4
99.08066	10.6
105.06987	9.3
107.04930	2.1
107.08580	9.5
109.02855	2.2
109.06494	51.4
109.10135	18.5
111.08057	3.0
118.85580	2.0
119.08556	11.7
121.06453	7.8
121.10086	2.4
123.04399	77.3
123.08039	26.3
123.11643	7.5
125.09593	22.1
127.03892	17.3
127.07523	46.6
129.06975	2.0
133.10104	2.7
135.11719	3.2
137.05927	13.0
137.09564	4.8
139.03888	18.4
147.08073	2.8
147.11711	2.7
149.02289	2.8
149.05986	4.7
151.03889	10.8
151.07513	21.0
153.05453	3.6
155.03357	18.9
160.05128	3.0
164.04655	14.4
165.09048	15.8
167.06966	4.1
167.10590	2.4
169.08537	4.3
175.07523	11.9
175.14809	2.8
179.03349	2.6
179.06909	2.1
193.08559	84.8
193.12161	2.2
211.09622	55.1
211.13004	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03940	3.0
55.01849	9.9
55.05490	7.2
55.39903	1.0
57.03423	1.6
57.07078	1.8
59.04970	1.7
61.02900	1.8
67.05486	5.0
69.03415	2.4
69.07050	11.6
71.04974	7.3
72.02685	1.3
73.69610	1.2
79.05459	6.9
81.03396	29.3
81.07034	10.0
83.04967	2.0
83.08585	1.7
85.02893	1.4
85.06521	6.7
91.05452	9.4
93.07028	21.5
95.04945	10.0
95.08585	7.8
99.04447	2.3
105.06992	10.2
106.04134	3.2
107.08573	44.6
109.02866	5.7
109.06505	18.3
109.10140	6.5
111.08067	1.3
113.05975	11.4
117.07002	7.1
119.08559	13.6
121.06480	14.6
121.10139	13.1
123.08036	7.4
131.08546	15.3
133.06447	1.7
133.10138	9.0
135.08026	11.6
135.11604	2.8
137.09651	1.3
141.05452	7.9
142.67638	1.3
145.10077	8.4
147.08044	10.0
147.11664	52.2
149.05975	1.8
149.09592	17.5
149.13231	19.9
161.09555	5.0
163.11165	1.7
163.14836	2.5
173.13232	17.6
176.11925	4.9
191.14276	100.0
209.15335	24.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1536
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03940	3.4
55.01855	2.8
55.05503	18.6
57.03416	0.9
59.04982	0.8
60.50729	0.4
61.02908	0.9
64.09654	0.4
65.03930	0.4
65.64494	0.3
67.05479	2.5
68.97177	0.5
69.03412	2.0
69.07050	1.0
71.04971	4.2
75.04465	0.7
78.04684	2.1
79.05132	0.4
79.05480	7.8
81.03400	16.2
81.07042	2.8
81.44235	0.4
82.99423	0.4
83.04957	7.1
83.08605	7.4
85.02859	1.6
85.06530	3.9
91.05460	7.3
93.03386	0.9
93.07022	4.6
95.04944	5.8
95.08566	1.9
97.06515	1.6
97.10117	0.6
98.03646	0.9
99.04400	1.9
103.05445	13.7
103.80240	0.4
105.04525	0.5
105.07011	20.9
106.04151	7.0
107.04944	2.1
107.08554	3.7
108.05682	0.7
109.02856	2.8
109.06499	2.7
109.10138	2.5
111.08068	2.7
113.05988	7.6
113.76419	0.4
115.05447	0.5
117.03223	0.4
119.08505	0.5
120.05679	5.1
121.06492	7.0
121.10113	2.0
123.09362	0.5
123.11655	0.9
125.05964	0.6
125.09591	2.5
131.08513	0.5
132.05754	0.4
133.02818	10.5
133.06480	0.6
133.10136	2.3
134.03587	1.0
135.08029	14.9
137.05948	10.5
139.07504	0.9
141.05440	4.7
147.11711	0.7
148.05171	73.8
149.05994	4.9
149.13231	0.7
150.06662	0.8
151.11153	5.8
153.09065	0.8
161.05952	0.7
163.07547	2.0
165.09125	3.5
167.07007	8.2
167.14250	8.0
176.04651	50.4
177.05426	2.0
191.06998	100.0
192.07527	0.5
209.08008	1.6
209.15295	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03929	2.4
55.01857	2.7
55.05518	4.1
56.96544	0.9
57.03421	2.6
57.07064	6.0
59.04979	0.9
61.02910	0.5
65.03916	1.7
67.05489	9.0
69.03410	3.5
69.07050	3.4
71.04974	8.5
78.04682	2.1
79.05466	7.6
81.03400	9.6
81.07037	10.8
83.04959	2.6
83.08596	1.8
85.02862	1.5
85.06533	3.3
85.94596	0.4
89.03899	0.6
91.05457	12.9
93.03371	1.6
93.07022	8.9
95.04944	10.1
95.08586	6.4
97.06504	2.7
98.03642	0.9
99.04411	2.8
103.05447	2.0
105.07001	8.8
105.07653	0.6
106.04146	8.9
107.04937	0.8
107.08572	14.3
109.02864	2.2
109.06498	100.0
109.10139	18.3
111.08057	4.2
113.05980	3.7
115.05429	1.7
117.07014	2.9
119.06005	0.5
119.08559	2.6
121.06478	9.3
121.10130	6.5
122.03715	0.5
122.07283	0.7
123.04428	0.6
123.08040	9.3
125.05978	1.8
125.09601	0.9
129.07011	0.8
131.08542	10.4
133.10101	11.0
134.03561	0.9
135.04401	0.4
135.08026	28.1
135.11670	0.8
137.05927	2.6
137.09584	6.0
141.05452	2.6
143.08536	1.9
145.10104	1.8
147.11684	1.7
148.05144	0.6
149.02289	0.6
149.05952	6.9
149.09602	2.7
149.13268	2.3
150.10426	0.6
151.11130	5.2
153.09064	5.7
158.10875	2.6
161.09578	1.0
163.14803	1.1
167.07158	0.5
173.13210	6.5
177.05484	2.3
181.08492	0.7
191.07019	0.6
191.14267	15.2
209.08205	0.7
209.15295	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	209.1536
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
51.57876	0.6
53.03939	1.5
54.95303	0.7
55.05512	7.8
57.03425	0.7
57.07058	1.7
61.05558	0.7
64.33135	0.6
65.03931	0.9
67.05496	6.4
69.03417	7.0
69.07045	3.2
71.04967	3.6
77.31751	0.8
79.05483	9.0
81.03391	7.1
81.07035	16.6
83.04958	1.0
83.08591	1.1
85.06506	1.3
91.05469	15.1
92.64380	0.7
93.07016	4.2
95.04953	3.4
95.08576	4.3
99.04397	0.9
105.07021	14.9
105.07676	1.3
107.04916	1.5
107.08580	29.5
109.02860	1.1
109.06507	12.5
109.10146	10.9
112.80222	0.8
113.06009	3.9
114.37878	0.7
115.05426	6.4
117.06989	7.8
119.06037	1.6
119.08567	8.2
121.06508	1.1
121.10120	19.0
122.07265	15.5
123.08059	1.5
131.08556	3.1
133.10110	88.2
135.08031	19.1
137.09598	100.0
141.05489	1.6
143.08614	0.8
149.06160	0.8
149.13239	12.8
153.43674	0.8
158.10822	0.9
173.13228	4.9
179.43292	0.8
191.14258	1.8
204.20302	0.8
221.95886	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
55.05505	58.4
55.76846	1.7
59.04976	2.4
67.05480	4.9
69.03407	2.3
69.07048	12.5
69.19908	1.8
71.04974	3.2
71.24419	1.9
79.05460	12.8
81.07027	10.7
83.04971	22.7
83.08611	20.4
91.05434	9.4
93.07019	52.2
95.04938	38.8
95.08583	8.0
97.06519	2.5
97.10150	2.8
99.04432	3.7
105.07019	4.2
107.08590	41.7
109.06546	3.8
109.10156	16.9
119.08567	3.9
121.10116	100.0
125.09607	3.6
133.10085	9.6
135.11636	2.1
149.13214	2.3
151.11174	16.6
153.09109	3.1
163.14783	11.1
167.14293	24.4
173.13164	3.1
176.31038	2.1
176.98077	2.1
191.14313	4.0
209.15317	21.9
215.58691	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	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.08940	0.5
52.52072	0.5
53.03935	4.4
55.01855	2.4
55.05503	100.0
56.96551	0.7
57.03416	2.7
57.07048	1.4
59.04980	4.7
61.02897	0.6
66.76574	0.5
67.05487	14.2
69.03411	10.4
69.07048	8.5
70.82777	0.5
71.04978	6.6
79.05472	12.3
81.03407	12.4
81.07037	19.2
83.04963	62.1
83.08600	41.6
85.02883	1.3
85.06525	8.5
91.05458	8.8
92.09283	1.5
93.07021	16.0
95.04945	15.0
95.08580	10.2
97.06514	10.9
97.10146	9.2
99.04414	3.3
99.08054	1.0
103.05410	0.8
105.07020	11.8
106.04135	2.2
106.63306	0.6
107.04940	1.3
107.08572	23.4
109.02855	3.2
109.06501	27.6
109.09380	1.1
109.10136	30.7
111.04401	1.2
111.08061	13.2
112.08833	1.0
113.05997	6.8
113.09621	1.1
117.06999	1.1
119.08528	2.5
121.06472	3.8
121.10109	17.2
123.08034	4.4
123.11694	10.6
125.05980	1.2
125.09601	13.7
127.03889	0.6
127.07486	0.7
129.06972	0.8
131.08546	8.1
133.10104	16.4
135.08025	4.4
135.11673	1.1
137.05959	1.1
137.09569	0.8
139.07533	0.7
141.05432	3.7
143.08519	0.6
145.10110	3.9
147.11641	1.4
149.05962	3.4
149.09593	8.4
149.13240	6.1
151.11153	33.2
153.09045	4.0
158.10878	1.1
158.40286	0.6
163.11206	1.0
163.14807	1.0
167.14276	43.9
173.13205	6.4
181.04904	1.0
191.10599	2.1
191.14307	4.8
209.04387	5.0
209.11659	2.4
209.15334	31.0
209.17314	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
53.03926	3.0
55.05505	100.0
57.07043	2.1
58.31135	1.3
59.04989	3.3
61.44614	1.4
62.22282	1.4
64.11426	1.4
67.05492	12.4
69.03417	2.7
69.07047	8.0
71.04937	1.4
79.05470	3.7
81.07035	17.2
83.04965	59.8
83.08595	45.6
85.06528	6.3
91.05460	6.2
92.09339	1.6
93.07017	18.3
95.04939	21.0
95.08572	8.9
97.06496	11.0
97.10124	7.2
105.06995	6.6
107.08588	18.3
109.06508	14.7
109.10134	21.3
111.08031	14.1
121.10116	21.1
123.11646	8.2
125.09595	9.2
133.10115	11.4
135.07954	2.0
145.10110	1.8
149.13235	3.3
151.11156	32.8
153.09059	2.3
163.14816	1.8
167.14307	41.2
173.13199	2.8
183.47684	1.6
191.14249	2.8
209.15346	22.9
229.06393	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.64664	1.2
53.03932	12.0
55.01860	2.5
55.05505	100.0
57.03437	2.4
57.07076	2.2
57.23203	1.3
59.05001	1.9
61.02914	3.0
67.05495	12.2
68.63531	1.4
69.03416	10.6
69.07059	7.0
71.04977	16.1
71.13094	1.8
78.60856	1.6
79.05484	3.1
81.03399	54.2
81.07039	14.9
83.04963	60.7
83.08607	35.7
85.02892	2.0
85.06532	11.3
91.05463	6.7
91.29787	1.5
92.08751	2.0
93.07018	15.0
95.04954	24.5
95.08586	7.7
97.06507	9.6
97.10140	6.7
98.03663	7.8
99.04439	7.7
105.07014	6.9
106.04169	1.6
107.08598	27.0
108.95538	1.5
109.02846	11.9
109.06522	11.3
109.10155	19.4
111.08080	8.9
113.05974	21.0
121.06513	2.6
121.10142	17.4
123.08043	6.5
123.11671	7.9
125.09600	6.1
131.08540	2.4
133.10104	15.3
135.08090	2.3
135.11642	2.1
139.48096	1.6
141.05397	14.0
145.10059	1.8
149.05991	2.0
149.13210	3.4
151.11174	27.3
163.14893	2.1
167.14282	41.0
173.13124	4.7
177.63278	1.8
191.14281	2.4
209.15350	29.1
221.29761	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
50.48899	1.3
52.02671	1.6
53.03927	7.4
55.01864	1.6
55.05499	9.6
57.03445	1.5
57.07062	1.9
67.05489	7.2
69.03412	11.2
69.07045	3.9
71.04986	5.8
79.05455	9.3
80.03056	1.8
81.03398	33.7
81.07035	26.3
83.04957	1.8
83.91177	1.6
85.02848	1.7
85.06498	7.7
91.05457	16.7
93.06999	3.4
95.04938	8.6
95.08586	3.4
97.06497	1.7
98.03632	2.7
99.04446	2.9
105.07014	23.5
107.08567	42.1
109.02849	10.0
109.06499	21.8
109.10157	15.5
111.96782	1.6
113.05987	16.0
115.05435	7.2
117.06993	9.8
119.06038	2.2
119.08554	8.5
121.10120	30.3
122.07258	17.1
123.08043	2.5
131.08530	3.0
133.10109	100.0
135.08031	27.2
137.09596	91.6
137.10429	1.7
141.05414	7.8
149.13257	17.1
151.11111	3.6
159.58171	1.7
173.13213	3.9
191.14273	2.8
208.33124	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1534
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03922	8.1
53.91489	4.0
55.01854	7.6
55.05499	33.7
55.68166	4.3
57.03424	9.4
57.07063	9.8
59.04984	7.7
67.05486	33.8
67.34154	4.8
69.03400	10.2
69.07048	32.6
71.04965	20.4
75.47044	4.6
79.05475	29.7
81.03403	49.7
81.07037	47.4
83.04947	30.4
83.08612	5.0
85.06519	20.1
88.57564	4.4
91.05457	32.7
93.07013	64.8
95.04943	27.0
95.08596	45.6
97.06496	7.3
98.03629	6.5
99.08070	25.4
105.07020	37.9
107.04881	7.1
107.08563	75.5
109.02866	6.0
109.06514	25.7
109.10140	30.1
111.08035	11.1
112.43288	4.6
113.05955	10.7
117.06992	6.8
119.08548	10.2
121.06493	25.3
121.10124	77.2
123.08041	29.1
123.11750	7.3
125.09622	9.7
131.08568	34.9
133.10088	52.1
135.08000	9.5
141.05391	9.6
143.08536	8.9
145.10066	5.3
147.11665	7.2
149.09599	100.0
149.13231	19.8
151.11115	53.1
153.09105	10.1
163.11180	6.5
163.14769	8.4
173.13240	26.9
191.14243	38.0
209.15358	30.4
227.89853	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	209.1533
Annotation	Nopyl acetate
Peak:m/z	Relative Intensity
53.03935	3.9
55.05502	100.0
59.04975	4.3
67.05467	9.8
69.03398	8.3
69.07038	10.4
71.04955	4.0
79.05453	10.4
81.07026	14.0
82.23637	1.5
83.04959	40.9
83.08596	44.1
85.06487	2.9
90.47592	1.8
91.05443	7.9
93.07010	32.1
95.04937	24.7
95.08572	9.0
97.06480	3.4
97.10103	6.7
99.04434	2.3
105.06976	7.9
107.08569	31.1
109.06467	7.6
109.10123	22.2
111.08047	9.8
114.21468	1.8
121.10115	50.9
121.62016	1.9
123.11667	9.1
125.09586	3.9
133.10098	8.6
149.13214	2.9
151.11148	28.0
153.09071	3.6
155.83084	1.7
163.14819	4.0
167.14258	39.5
173.13153	2.6
194.02072	3.4
209.15356	25.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03936	4.6
55.01853	2.8
55.05505	100.0
57.07055	1.8
57.44724	2.3
59.04989	4.2
67.05487	14.9
69.03408	8.5
69.07054	10.7
71.04962	3.6
79.05465	9.5
81.03384	13.1
81.07031	23.6
83.04964	58.5
83.08614	37.3
85.06525	3.9
91.05453	10.1
93.07012	22.9
95.04948	41.5
95.08582	17.4
97.06488	9.5
97.10168	3.8
99.04459	3.8
103.79565	2.0
105.06995	12.1
105.94093	2.1
107.08585	25.3
109.02916	2.4
109.06498	26.6
109.10147	23.5
111.08036	15.7
113.05988	3.7
119.08586	3.2
121.10114	31.3
123.11683	8.4
125.09575	10.3
126.02505	2.2
127.25067	2.0
131.08487	4.8
133.10086	24.1
134.77255	2.4
135.08017	4.3
141.05438	2.5
149.13260	9.1
151.11169	30.8
153.09097	3.7
158.10913	2.9
167.14270	33.2
173.13295	4.1
191.14267	4.2
193.84750	2.1
209.15346	35.2
213.59529	2.2
222.98981	2.3
227.34259	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	209.1535
Annotation	3-Hydroxy-alpha-ionone
Peak:m/z	Relative Intensity
50.78229	0.8
52.13945	0.9
53.03933	6.1
54.10068	1.0
55.01864	1.0
55.05503	100.0
57.03438	3.0
59.04984	6.0
61.02899	1.4
67.05495	9.4
69.03408	8.0
69.07032	7.2
70.44168	0.9
71.04981	8.4
79.05470	4.3
81.03400	24.4
81.07051	11.9
83.04964	61.9
83.08602	41.5
85.06528	7.0
91.05446	1.9
91.43787	0.9
92.09304	1.7
93.07029	8.1
95.04940	9.6
95.08580	6.8
97.06500	5.4
97.10141	9.4
98.03625	1.9
99.04443	1.7
99.08065	1.4
100.44093	1.0
105.07021	6.8
107.08592	16.3
109.02855	5.7
109.06496	6.4
109.10155	20.0
111.08065	12.0
113.06005	10.3
113.09647	1.3
119.08533	1.6
121.06453	1.2
121.10152	8.8
123.11671	10.4
125.09584	11.1
126.01049	5.0
131.08638	1.4
133.10115	8.5
141.05466	6.7
145.10042	1.3
149.13223	6.7
151.11150	32.2
167.14279	49.1
191.14297	1.9
195.08382	0.9
209.15341	22.7
209.17139	1.6
214.55267	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1535
Annotation	3-Hydroxy-beta-ionone
Peak:m/z	Relative Intensity
53.03931	4.2
53.28407	1.6
55.01842	2.3
55.05503	100.0
56.97425	1.9
57.03427	4.5
57.07064	3.2
59.04988	4.1
64.28399	2.0
65.65190	1.8
67.05481	20.9
69.03410	8.7
69.07046	8.7
70.92400	1.7
71.04957	10.4
79.05455	4.7
81.03408	24.3
81.07037	24.7
83.04964	66.4
83.08604	44.6
84.55222	1.8
84.86612	1.9
85.06521	9.1
91.05433	4.5
93.07026	24.1
95.04945	50.1
95.08602	18.8
97.06516	13.9
97.10180	4.1
97.98825	2.0
99.04430	4.2
105.07009	12.0
107.08579	33.2
109.02904	2.2
109.06501	33.0
109.10137	29.5
111.08060	14.1
113.05993	8.5
121.10114	28.9
123.08056	3.0
123.11681	4.0
125.09589	13.3
131.08540	5.1
133.10086	18.4
135.08038	3.0
136.82910	2.7
141.05443	8.3
149.13242	3.8
151.11177	27.4
153.09113	4.5
167.14272	42.6
173.13268	4.7
191.14287	4.3
194.48579	2.1
209.15305	29.1
213.55684	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	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
51.13938	1.2
53.03930	2.6
54.81888	1.5
55.01864	9.4
55.05504	28.0
57.03437	3.2
57.07072	2.0
57.97145	1.5
65.03918	3.2
67.05490	31.4
69.03416	14.9
69.07055	15.1
70.83368	1.4
71.04980	23.9
79.05471	57.1
81.03397	18.2
81.07040	20.7
83.04956	27.4
83.08606	8.4
85.02907	2.4
85.06532	3.8
91.05460	34.6
92.08543	3.1
93.07015	46.7
95.04945	34.8
95.08591	6.2
97.06515	11.8
98.03667	2.0
99.04433	3.9
99.96059	1.4
103.05444	2.3
104.28127	1.6
105.03393	1.7
105.07002	34.0
106.52221	1.8
107.04928	28.0
107.07867	3.1
107.08582	66.8
109.02879	3.7
109.06503	13.0
109.10139	8.2
111.04421	12.6
113.06010	9.4
116.06166	2.2
116.97813	1.5
117.06985	12.7
119.08528	15.7
121.06483	31.4
121.10113	41.9
122.03608	2.1
123.04413	6.5
123.08058	5.8
125.05976	10.8
125.09624	7.7
129.06981	8.7
130.07764	2.9
131.08542	100.0
133.10136	4.7
135.04381	1.5
135.08025	8.6
135.11685	7.3
137.06017	1.9
138.03172	1.8
139.07594	2.3
141.05458	8.6
145.10106	48.5
147.08060	7.4
147.11661	2.2
149.06021	3.1
149.09592	90.3
151.11203	3.5
153.05432	8.4
154.35805	1.7
163.07478	6.9
163.11147	26.6
165.09084	17.9
166.02586	2.1
167.07047	2.8
167.10620	14.9
167.14293	9.7
173.09540	6.9
173.13353	1.8
175.29813	1.6
181.04956	7.4
184.03665	1.8
191.10663	43.9
191.14340	6.2
192.83142	1.7
209.04413	38.3
209.11702	52.6
209.15213	15.5
214.81001	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1172
Annotation	(+)-4,5-Didehydrojasmonic acid
Peak:m/z	Relative Intensity
53.03935	4.7
55.01865	7.3
55.05507	19.9
57.03413	3.7
57.07042	1.0
59.04975	1.2
63.49393	0.8
67.05494	12.0
68.03674	1.1
69.03401	4.0
69.07058	17.2
70.97681	0.9
71.04974	20.1
75.39794	0.9
79.05474	50.7
81.03403	4.6
81.07042	13.3
83.04965	15.4
83.08601	7.0
83.95370	1.2
91.05460	33.4
93.07022	58.9
95.04949	16.5
95.08607	4.1
97.06510	6.5
99.04446	4.0
103.05441	4.6
105.04528	1.0
105.07012	36.4
106.04169	1.5
107.04947	19.7
107.08578	74.8
109.06509	15.5
109.10139	5.5
111.04459	1.2
111.08051	1.9
113.05958	1.3
116.06240	3.7
117.06995	10.2
119.08573	8.2
121.06487	29.1
121.10126	59.7
123.08078	4.5
123.11684	1.0
125.05937	5.6
125.09605	4.1
129.06987	5.3
130.07750	2.1
131.08542	100.0
133.10115	4.4
135.04404	1.6
135.11665	4.6
141.05402	1.2
145.10101	31.2
147.07979	2.0
147.11653	1.1
149.06003	2.2
149.09593	54.7
151.11171	4.6
153.05441	6.5
163.11156	14.3
163.14853	4.4
165.09155	1.9
167.07008	1.8
167.10651	1.3
167.14297	6.9
173.09619	2.1
173.13234	1.6
191.10629	16.0
191.14214	1.6
209.11731	25.2
209.15297	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	209.1173
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02370	0.7
52.68624	0.6
53.03940	9.4
54.10546	0.8
55.01862	3.1
55.05507	100.0
57.03420	3.3
57.07069	1.4
59.04983	4.9
61.02911	3.7
67.05498	13.4
69.03419	10.1
69.07048	6.8
71.04977	13.6
75.04465	1.9
79.05463	9.4
81.03401	44.8
81.06592	1.2
81.07040	19.5
83.04967	61.1
83.08604	38.1
84.34329	0.7
85.02888	4.4
85.06531	12.0
88.45369	0.8
91.05468	6.5
93.07026	14.4
95.04951	17.4
95.08592	10.1
97.02850	1.3
97.06509	10.4
97.10151	8.8
98.03660	3.2
99.04443	6.3
99.08086	1.1
105.07010	8.6
106.04153	1.1
107.04990	0.9
107.08583	23.6
109.02856	8.9
109.06505	25.2
109.10143	28.4
111.04440	1.1
111.08053	13.2
112.08815	1.0
113.05994	19.1
113.09627	1.2
117.06988	1.5
119.08560	3.0
121.06482	3.9
121.10119	14.4
123.08068	1.5
123.11688	10.2
125.09605	10.5
127.03893	1.0
127.07573	0.9
131.08560	7.7
133.10100	16.5
135.08009	1.1
135.11749	1.0
138.63466	0.8
141.05434	14.7
143.08513	1.0
145.10107	1.3
147.11690	0.8
149.09636	6.3
149.13248	6.6
151.11180	30.7
153.09148	5.5
155.07068	0.8
163.14868	1.1
167.14281	46.6
173.13231	4.7
191.10570	1.2
191.14302	4.5
209.04382	5.3
209.11710	3.7
209.15352	28.7
212.42775	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	209.1169
Annotation	3,8-Dihydroxy-1,2,4-trimethoxyxanthone
Peak:m/z	Relative Intensity
51.43440	1.9
53.03931	15.7
55.01849	4.9
55.05498	14.2
56.52162	2.1
57.03422	8.5
59.04984	3.5
61.02916	3.3
61.21888	1.7
67.05481	12.3
69.03402	10.4
69.07043	11.5
71.04965	23.8
75.04472	3.0
79.05466	14.7
81.02930	4.3
81.03388	81.0
81.07027	22.9
83.04953	9.0
83.08586	3.6
85.02879	3.4
85.06522	15.5
88.63803	2.1
91.05466	25.0
93.07011	19.5
93.48351	2.1
95.04950	22.6
95.08582	12.9
97.06479	4.6
98.03646	5.5
98.68098	2.4
99.04414	10.8
102.59710	2.3
103.05440	4.4
105.07002	29.1
106.04191	3.1
107.04944	20.9
107.08574	43.2
109.02863	15.5
109.06468	17.2
109.10117	8.3
111.04401	2.8
111.08049	3.8
113.05997	26.6
114.86190	1.9
115.05432	2.9
117.06979	3.2
119.04913	13.1
119.08553	10.9
121.06461	18.5
121.10095	22.2
122.07230	2.4
123.04453	2.6
123.08023	33.4
123.11626	2.6
125.09576	3.3
131.04884	8.7
131.08521	9.3
133.02855	4.0
133.06451	3.8
133.10107	42.4
134.07278	2.8
135.08012	37.0
135.11665	10.1
136.05188	9.3
137.05951	11.2
137.09604	25.8
138.06757	3.1
141.05423	20.7
145.06477	2.3
145.10132	2.7
147.04373	20.0
147.08009	18.1
147.11658	8.9
148.05179	13.2
149.05957	9.8
149.09590	17.6
149.13228	9.0
149.51302	2.7
151.07509	35.1
151.11191	5.1
153.05437	17.8
153.09099	4.0
161.05986	3.0
162.06696	13.0
163.07512	40.4
163.11263	3.6
163.14806	3.8
165.05443	13.9
165.09039	2.6
165.12772	2.7
166.06236	26.0
168.07802	26.3
173.13205	10.9
177.09081	10.3
178.09860	65.0
179.06961	34.0
179.10629	3.1
181.08543	64.2
191.14299	30.3
194.02032	4.0
194.09325	57.4
209.11684	100.0
209.15262	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	209.0809
Annotation	Sinapyl aldehyde
Peak:m/z	Relative Intensity
53.03712	0.7
53.03941	9.5
55.01862	3.9
55.05508	6.1
57.03427	4.4
59.04982	2.5
61.02913	2.3
62.70907	0.5
65.03924	1.2
67.05500	1.1
69.03415	3.2
70.82616	0.5
71.04971	11.0
74.97631	0.5
75.04456	3.0
78.04695	1.0
79.05476	9.3
81.03403	51.4
81.07054	1.0
83.04958	0.9
85.02882	4.9
85.06527	11.5
87.04443	0.7
89.03912	0.7
91.05462	11.4
93.03387	2.9
93.07004	2.3
95.04958	12.4
95.08604	0.5
97.02843	0.6
97.06516	1.1
98.03641	5.3
98.16796	0.5
99.04432	5.4
103.05456	14.3
103.17931	0.6
105.04552	0.7
105.07015	22.8
106.04160	11.3
107.04944	2.4
107.08578	22.4
109.02883	12.7
109.06497	3.4
112.13508	0.5
113.05991	20.6
114.06747	0.7
114.38074	0.7
119.04944	0.7
120.05690	3.6
121.06479	10.3
123.04388	1.1
124.05199	0.8
124.84580	0.6
125.05918	1.1
127.03873	0.6
131.04919	0.9
133.02829	8.7
133.10139	0.7
134.03616	1.3
134.27655	0.6
135.08035	29.7
136.23282	0.5
137.05951	12.9
139.07539	3.0
141.05457	15.0
148.05174	69.3
149.05978	9.9
150.06703	1.3
153.09065	0.8
163.07509	2.2
165.09108	5.1
167.07011	11.7
176.04655	51.8
177.05440	2.6
181.08583	1.1
191.07007	100.0
199.56599	0.6
209.08133	2.5
209.15440	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
53.03928	4.5
55.01865	1.5
55.05500	19.9
57.03425	1.5
59.27061	0.9
61.02906	1.1
65.03918	2.5
65.40350	1.0
67.05479	2.6
69.03065	1.9
69.03416	35.7
71.04950	1.2
79.05465	8.9
81.07036	6.0
83.04956	4.9
85.12838	0.9
91.05457	31.3
93.03381	1.9
93.07013	14.1
95.04937	9.1
95.08589	7.6
102.57257	1.1
103.05447	7.6
105.03332	1.7
105.07004	18.8
107.04943	5.9
107.08595	8.0
108.05690	4.2
109.06499	10.9
111.04417	1.1
117.06976	2.4
118.04152	1.7
119.04919	20.1
119.08562	13.2
121.02885	1.4
121.06477	100.0
121.10130	5.2
123.04423	1.6
123.08025	18.9
128.03888	1.0
128.06187	1.1
129.06975	1.1
130.07706	2.0
133.06459	30.4
133.10114	5.3
135.08025	11.7
135.11665	2.1
136.05183	7.0
138.03117	1.5
143.03632	1.5
145.10136	4.6
146.03586	9.4
147.04378	13.6
147.11647	2.6
149.02310	21.5
149.05975	2.3
149.09581	5.5
151.03899	1.4
151.07507	9.7
161.09637	1.4
163.03876	7.2
163.11143	89.6
164.04660	25.9
165.05345	1.3
165.12746	1.4
174.03087	6.9
177.05504	1.7
178.06270	1.2
179.06966	14.7
189.12721	6.8
192.04160	6.1
207.06491	37.5
207.13754	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	207.1377
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.79317	1.5
52.15776	1.5
53.03934	2.9
55.01854	2.3
55.05500	38.4
55.39286	1.7
56.96553	3.2
57.03424	2.7
57.07063	2.3
59.04963	1.8
61.02917	2.8
67.05475	14.5
69.03407	45.8
69.07058	8.1
71.04974	11.8
79.05480	15.9
79.59732	1.9
81.03393	3.5
81.07025	21.6
83.04960	8.2
83.08619	2.2
85.06546	2.1
91.05453	29.1
92.08779	3.5
92.63887	2.1
93.03384	2.2
93.07030	25.0
95.04958	4.7
95.08575	22.8
97.06487	12.1
98.97556	14.8
103.05466	3.3
105.07008	33.5
107.04948	3.2
107.08571	24.0
109.06517	14.4
109.10141	7.3
115.05476	3.6
116.69250	2.2
116.98593	7.8
117.07005	10.0
119.04924	3.3
119.08556	32.8
121.06476	100.0
121.10097	16.6
123.08028	32.8
125.05959	14.4
125.09642	2.8
128.06235	2.7
130.07747	4.0
131.08484	2.7
133.06465	36.3
133.10085	11.8
135.08031	32.0
135.11664	3.3
137.09579	21.9
143.08539	3.5
144.05675	2.3
145.10129	3.2
147.08072	4.7
147.10649	2.6
147.11630	18.9
149.02348	2.5
149.09619	12.7
151.07545	7.4
153.09093	4.4
159.08006	3.2
159.11713	2.3
161.05984	10.0
161.13266	9.3
163.07507	2.1
163.11134	93.1
164.04721	2.0
165.12726	2.7
177.00699	7.7
179.06891	1.8
180.18521	2.1
189.05569	2.7
189.09079	2.6
189.12737	14.3
207.06490	10.8
207.10155	11.5
207.13702	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.99517	5.4
54.81782	5.2
55.05501	39.3
56.96553	9.7
57.03413	24.6
67.05507	46.6
67.11110	6.3
69.03422	52.2
69.07050	9.3
79.05475	33.2
81.07038	49.7
83.04960	32.3
85.02885	75.6
85.06531	7.1
91.05452	59.2
93.07022	43.8
95.04946	27.6
95.08598	46.4
98.97585	13.2
105.07005	100.0
107.04959	7.4
107.08595	54.1
109.06499	73.6
109.10146	36.7
111.08044	8.9
115.05376	8.0
117.07004	9.0
119.04931	8.6
119.08563	83.6
121.06498	11.5
121.10120	38.3
122.07278	8.9
123.08021	36.7
123.11697	29.1
128.06169	7.8
131.04944	10.7
131.08580	24.5
133.10123	27.0
135.08031	14.0
135.11714	7.5
137.09579	99.7
139.26079	6.0
143.08472	6.7
145.10072	12.8
147.04431	13.7
147.08018	13.9
147.11688	53.5
149.02328	11.8
149.09590	78.9
151.07527	13.6
156.09352	29.6
158.99722	7.5
161.06046	5.9
161.09619	11.0
161.13200	28.1
163.11237	9.6
164.04691	8.9
165.12662	8.8
171.11632	10.2
174.10422	6.7
182.28879	6.0
189.05421	7.8
189.12650	58.2
207.06557	14.3
207.13712	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	207.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07899	1.0
55.01867	2.3
55.05503	15.3
57.03419	2.5
57.07043	1.7
58.53497	1.1
59.04984	8.4
65.03923	1.4
67.05493	27.3
69.03417	9.3
69.07053	6.3
73.15089	1.2
79.05486	14.8
80.65413	1.2
81.03398	3.3
81.07032	15.7
83.04969	7.2
91.05462	28.3
93.07014	22.2
95.04944	14.9
95.08584	36.1
97.06491	1.6
101.10865	1.2
105.07020	43.1
107.04919	2.5
107.08564	26.2
108.05733	1.5
109.06497	42.5
109.10139	26.9
111.04368	1.6
117.07007	5.4
119.08559	39.0
121.06484	6.1
121.10104	5.7
122.07277	7.6
123.08044	29.3
123.11684	1.6
129.06963	1.5
131.08537	6.2
133.06496	1.9
133.10126	11.8
135.08026	12.6
135.11667	1.4
137.09589	100.0
145.10071	1.9
147.08032	2.6
147.11681	18.6
149.09584	13.0
151.07632	2.5
153.09134	5.9
156.09296	2.9
161.09607	2.3
161.13261	14.6
163.11295	1.8
166.43933	1.4
171.11647	2.6
181.95097	1.5
187.37363	1.4
189.12663	13.0
207.13744	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.60115	0.7
54.80669	0.8
55.05504	6.2
56.91858	0.7
57.07066	5.5
65.03926	1.2
67.05492	31.3
69.03410	1.6
69.07045	1.4
71.04979	1.1
79.05465	4.4
81.07044	2.0
83.04961	1.2
85.06532	6.3
91.05459	5.9
93.07024	13.7
95.04947	1.9
95.08587	100.0
105.07027	10.5
107.08603	11.6
109.06514	1.7
109.10149	1.6
113.05996	1.8
117.06966	1.2
119.08555	15.4
121.06429	0.9
121.10119	12.4
122.57436	0.8
123.08047	24.9
123.11698	4.2
124.89256	0.8
125.09682	0.9
131.08591	3.0
131.61162	0.9
133.10123	3.7
135.11674	3.5
147.08078	1.6
147.11678	6.7
149.09602	30.1
161.13170	5.8
162.51257	0.8
165.12700	4.0
174.10419	3.3
189.12712	7.1
207.13742	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	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
50.31189	0.8
53.00276	0.8
53.03941	1.7
55.01853	4.6
55.05500	15.3
57.03417	4.1
57.07056	1.1
59.04987	9.0
65.03915	1.0
67.05138	1.5
67.05487	34.0
69.03409	10.4
69.07058	6.4
70.03331	0.7
71.04978	4.5
74.56870	0.8
79.05459	10.7
80.94945	1.0
81.03396	4.9
81.07029	18.0
81.30656	0.9
83.04955	5.1
83.08607	1.6
85.02889	1.4
85.06512	3.4
91.05449	23.4
93.07013	18.3
95.04939	16.5
95.08577	40.6
95.25684	0.9
97.06533	1.1
98.97582	1.0
103.05427	2.0
105.07001	36.5
107.04931	5.7
107.08569	30.7
108.05733	1.7
109.06495	44.5
109.10139	29.0
111.04398	1.1
111.08044	3.7
117.06980	4.7
118.13647	1.0
119.04883	1.1
119.06049	1.2
119.08549	39.6
121.06454	6.3
121.10114	11.8
122.07270	8.0
123.08028	36.4
125.09612	1.9
128.06192	1.4
129.07001	1.4
131.08516	2.1
133.06459	3.9
133.07477	1.3
133.10077	10.0
135.08018	12.7
135.11678	5.6
137.09578	100.0
139.07500	1.2
143.08630	1.7
145.06471	1.4
145.10097	4.1
147.07999	6.1
147.11658	20.1
149.09573	14.1
151.07520	2.2
153.09067	4.2
156.09265	6.3
160.20328	0.9
161.05902	1.9
161.09615	1.9
161.13205	14.2
163.11127	1.8
165.12787	1.0
171.11676	4.5
174.10349	1.3
177.12761	2.0
189.12634	10.4
207.13733	16.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1378
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
54.81226	1.4
55.05497	3.0
57.07052	2.0
62.59079	1.4
64.08460	1.2
65.03928	1.6
67.05477	7.4
69.07050	1.6
71.05000	1.5
79.05464	6.0
81.07046	21.4
85.02885	100.0
91.05462	21.1
93.06991	7.2
95.04921	2.0
95.08566	7.5
103.05450	1.4
105.07004	21.3
107.08553	9.5
109.06497	8.9
109.10141	14.8
117.06986	1.7
119.04921	10.2
119.08559	21.0
121.10114	15.4
123.08052	1.6
123.11684	52.8
125.05939	8.6
130.07733	2.0
131.08514	5.6
141.05420	1.9
141.07048	1.6
143.08524	1.5
145.10098	8.4
147.04352	6.9
147.08008	5.5
147.11667	17.9
149.09584	11.3
151.07491	6.7
156.09300	2.9
159.07962	2.0
161.13295	2.1
163.11205	2.3
165.12660	2.4
175.03844	5.1
183.09892	1.4
189.12711	9.3
192.04260	2.2
207.06490	2.9
207.13765	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	207.1379
Annotation	Unknow
Peak:m/z	Relative Intensity
51.07899	1.0
55.01867	2.3
55.05503	15.3
57.03419	2.5
57.07043	1.7
58.53497	1.1
59.04984	8.4
65.03923	1.4
67.05493	27.3
69.03417	9.3
69.07053	6.3
73.15089	1.2
79.05486	14.8
80.65413	1.2
81.03398	3.3
81.07032	15.7
83.04969	7.2
91.05462	28.3
93.07014	22.2
95.04944	14.9
95.08584	36.1
97.06491	1.6
101.10865	1.2
105.07020	43.1
107.04919	2.5
107.08564	26.2
108.05733	1.5
109.06497	42.5
109.10139	26.9
111.04368	1.6
117.07007	5.4
119.08559	39.0
121.06484	6.1
121.10104	5.7
122.07277	7.6
123.08044	29.3
123.11684	1.6
129.06963	1.5
131.08537	6.2
133.06496	1.9
133.10126	11.8
135.08026	12.6
135.11667	1.4
137.09589	100.0
145.10071	1.9
147.08032	2.6
147.11681	18.6
149.09584	13.0
151.07632	2.5
153.09134	5.9
156.09296	2.9
161.09607	2.3
161.13261	14.6
163.11295	1.8
166.43933	1.4
171.11647	2.6
181.95097	1.5
187.37363	1.4
189.12663	13.0
207.13744	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	207.1015
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
55.01860	2.7
55.05508	3.0
56.96544	1.8
57.03418	1.7
57.22749	0.9
65.03905	1.4
67.05493	20.7
68.01997	1.2
69.03406	4.7
71.04964	1.7
72.85557	1.2
73.02927	1.2
79.05474	13.8
81.03375	1.6
81.07022	2.0
83.01341	2.2
83.04958	5.4
85.02908	1.7
91.04881	2.6
91.05460	79.9
93.07013	6.0
95.04948	7.0
95.08596	1.4
98.97534	1.3
99.04401	1.5
103.05415	2.8
104.78925	1.1
105.03410	1.3
105.07014	79.1
107.04948	7.4
115.05428	4.7
117.06991	20.9
119.04918	2.3
119.08561	87.9
121.06476	1.4
123.04391	5.7
128.06200	22.3
129.06982	35.8
133.06453	1.5
133.10088	8.9
137.06020	1.3
137.09579	2.9
139.03838	1.8
143.08548	33.9
145.06474	7.6
147.04306	1.5
147.08023	100.0
152.04218	1.2
153.06926	6.0
155.06104	1.5
161.05945	1.5
161.09633	13.4
165.05446	2.0
165.09108	8.3
171.07994	5.3
189.09074	12.0
197.01231	2.0
207.10121	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	207.1379
Annotation	3-Keto-beta-ionone
Peak:m/z	Relative Intensity
51.25586	1.8
52.21596	1.9
53.03922	2.2
53.08768	1.8
55.01867	3.9
55.05500	23.7
55.67366	2.2
57.03417	3.4
57.07072	3.2
59.30825	2.1
61.92446	2.0
64.32942	2.2
67.05487	27.3
69.03414	16.6
69.07052	19.2
71.04977	5.2
72.57748	2.5
75.22748	2.1
76.71603	2.8
79.05486	16.8
81.07030	24.5
83.04958	16.0
85.02880	4.3
91.05460	38.1
93.07021	21.0
95.04948	15.8
95.08583	38.1
95.36962	2.5
97.06496	4.5
98.97539	2.5
99.04436	4.2
103.05518	2.5
105.07006	69.7
107.04920	5.2
107.08570	33.1
108.14995	2.5
109.06505	14.9
109.10129	34.8
111.04413	2.9
115.05420	9.6
117.06999	5.7
119.04904	3.3
119.08556	97.2
120.09339	2.7
121.06495	9.3
121.10130	26.0
123.08034	14.1
128.06198	11.6
129.06969	3.4
131.08505	11.0
133.06468	10.4
133.10104	56.4
135.11678	23.1
137.09601	45.2
137.13240	2.6
143.08511	18.7
145.06471	4.5
145.10081	4.3
146.10907	2.6
147.04369	3.9
147.08035	11.7
147.11661	43.3
149.02336	4.0
149.09602	33.2
151.07480	3.6
156.09291	3.2
159.08029	3.0
159.11664	2.5
161.05934	16.0
161.09589	42.7
161.13226	100.0
163.11079	4.3
165.09068	10.1
165.12793	3.0
171.11679	9.3
174.10323	3.8
189.09099	3.8
189.12720	40.1
207.06689	2.6
207.10059	3.6
207.13736	45.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	207.1015
Annotation	Acetyleugenol
Peak:m/z	Relative Intensity
53.74483	1.5
55.01865	7.6
55.05507	3.9
56.96558	7.5
57.03428	2.2
57.09681	1.8
64.33311	2.1
67.05500	20.5
69.03430	6.2
71.04954	2.4
72.35703	1.8
79.05477	20.8
81.03423	3.4
81.07040	3.8
83.01324	2.1
83.04969	8.5
85.02906	3.5
90.35352	1.8
91.04887	3.2
91.05461	95.9
92.09264	2.1
93.07031	7.4
95.04954	4.6
98.97567	4.1
101.91408	2.0
103.05497	2.5
105.03435	2.8
105.07014	80.4
107.04964	3.1
107.08617	3.0
114.00394	1.8
115.05444	3.3
116.98623	2.4
117.06989	18.2
119.04930	3.1
119.08558	88.4
121.06493	3.0
123.04417	1.8
128.06198	25.1
129.06978	45.6
131.36855	2.1
133.06509	2.0
133.10173	8.2
143.08546	33.8
145.06483	9.8
147.04367	4.3
147.08034	100.0
153.06982	4.5
160.95943	2.3
161.09612	10.0
165.05478	2.2
165.09058	7.5
171.07970	3.9
189.09068	15.5
207.10191	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	207.0652
Annotation	2-Hydroxy-8-methylchromene-2-carboxylate
Peak:m/z	Relative Intensity
51.02380	1.1
51.03038	1.0
57.05159	1.1
57.26801	1.0
65.03928	8.1
66.04683	1.1
67.05482	5.1
71.04971	1.5
74.01377	1.2
77.03924	1.8
77.11044	1.1
79.05470	5.2
81.07036	8.4
83.09780	1.2
85.02892	41.4
89.03899	2.2
90.08395	1.3
91.05461	100.0
93.07005	4.7
95.08558	1.9
103.05450	1.5
105.07016	8.8
107.04917	2.1
107.08572	5.9
108.05715	2.0
109.06533	2.1
109.10149	6.4
117.03401	1.6
118.04143	9.3
119.04919	72.7
119.08513	8.2
121.02825	2.2
121.10122	2.5
123.08040	1.6
123.10863	2.2
123.11673	21.1
125.05974	1.8
132.02106	9.2
133.02779	1.2
135.04381	5.0
136.05183	1.7
145.02869	1.8
145.10095	2.9
146.03615	4.5
147.04390	51.7
147.11661	8.6
149.02318	16.7
149.09605	4.8
151.07570	1.3
156.09296	1.8
157.03963	7.8
163.03909	1.4
164.04662	6.7
174.03021	2.6
175.03870	47.3
177.01892	2.0
179.07018	5.9
189.12651	4.7
192.04132	22.4
207.06487	30.4
207.13747	10.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1023
Annotation	Casuarine
Peak:m/z	Relative Intensity
55.01864	1.3
55.05494	2.1
56.05030	20.1
57.03415	3.2
58.06591	19.5
59.04998	1.8
60.04503	5.8
61.02908	1.0
63.02350	0.8
68.05011	9.2
69.03410	3.9
69.07050	2.0
69.98527	0.8
70.06570	8.0
71.01311	0.8
71.63982	0.8
72.04505	0.9
73.06542	1.0
74.02401	1.3
74.06052	4.7
75.02679	0.8
76.03957	0.8
76.07608	2.1
81.07024	1.3
82.06545	3.6
83.01318	2.1
83.04950	5.7
84.04490	84.6
85.02885	17.5
88.02198	2.2
88.03955	3.4
96.04453	2.1
96.08108	100.0
98.06023	1.8
99.04432	1.7
100.03985	6.2
100.07570	5.1
101.02357	1.2
101.05999	5.4
102.05522	5.5
110.06041	1.3
111.00769	3.4
111.04422	1.5
113.02357	1.2
113.07104	3.6
114.03746	9.4
114.05518	9.2
115.03922	1.0
116.05275	1.3
117.05439	1.3
124.07566	50.2
124.08464	1.9
125.05938	0.8
128.07019	1.5
129.01801	1.6
129.05482	1.7
131.17711	1.0
138.62561	0.8
139.00240	2.1
142.04951	8.4
142.08614	45.5
146.04539	0.9
146.08119	9.7
157.01299	1.9
159.07590	1.9
160.04243	12.7
160.05991	4.3
160.09660	35.8
164.09111	1.9
170.08092	32.3
171.02858	1.4
178.04964	21.9
188.05531	1.5
188.09154	19.1
191.14227	1.1
206.04608	5.5
206.06578	1.2
206.10204	39.1
206.12070	1.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.1022
Annotation	Casuarine
Peak:m/z	Relative Intensity
53.03927	1.6
55.01873	7.2
55.05508	6.1
56.05030	18.4
56.96548	3.4
57.03433	14.2
58.06591	14.2
58.78646	0.7
59.04979	5.1
60.04242	1.2
60.04517	23.7
61.02893	1.0
66.76472	0.6
67.05483	2.0
68.05020	10.8
69.03419	8.6
69.07043	4.0
70.06577	6.9
71.01342	1.8
71.04989	6.0
71.05293	0.7
72.04501	1.9
72.08133	1.5
73.02884	5.5
74.02434	0.9
75.04459	0.8
76.07614	1.3
79.05469	3.3
80.04562	1.4
80.05000	24.5
81.03404	9.7
81.07038	1.3
82.06567	12.3
83.04952	5.7
83.06898	3.6
84.04493	74.9
84.08139	0.9
85.02896	21.1
86.03209	1.3
86.03667	5.9
86.06049	4.5
86.09682	1.8
87.04442	4.3
90.05524	1.3
94.06547	3.9
94.50654	0.7
96.04475	3.2
96.08109	97.3
97.02872	4.1
98.06022	5.0
98.97551	4.3
99.04433	3.3
100.00075	1.0
100.05212	3.9
100.07588	4.8
101.00879	3.3
101.05994	3.5
102.02401	0.8
102.05508	4.5
106.06537	6.1
109.02888	5.0
110.06026	24.1
111.04423	1.0
112.02741	1.0
112.07592	1.4
113.02360	1.1
113.07109	1.3
114.03709	1.3
114.05508	12.9
115.02422	1.0
116.98595	1.3
118.01112	4.3
119.01893	9.8
122.05999	27.8
124.07564	56.3
126.05489	3.6
127.03833	1.5
128.07063	6.4
129.05460	1.2
129.07347	1.7
131.01846	4.9
133.03458	1.9
134.06003	12.8
134.99643	0.9
137.02936	1.1
140.07068	11.0
141.10143	2.7
142.03531	1.5
142.08618	55.3
142.10385	2.3
145.03474	1.5
146.03543	0.9
146.08090	6.9
147.05048	1.3
152.07062	13.7
156.02655	1.6
157.03433	3.6
160.02126	1.1
160.04341	1.8
160.09663	32.5
161.02965	1.3
169.03456	0.9
170.08093	53.6
171.05029	1.5
173.02995	1.1
175.04430	1.1
185.02908	4.2
187.10773	1.5
188.09158	30.1
188.10887	1.6
199.04520	1.1
203.03929	1.6
206.04648	5.8
206.10214	100.0
217.05513	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	206.0811
Annotation	Doryphornine
Peak:m/z	Relative Intensity
54.26370	1.2
61.13323	1.2
65.03902	1.5
67.05492	29.6
69.03420	1.5
79.05463	7.9
81.07038	10.4
82.02920	5.8
82.07368	1.8
84.04491	1.8
88.02190	2.5
91.05425	2.9
94.06525	5.8
95.04947	15.0
96.04441	3.2
96.05740	1.8
99.27127	1.4
105.07002	2.5
106.06522	2.9
107.07324	6.4
107.08535	2.0
108.08093	30.0
110.06002	6.1
117.05733	1.7
118.81364	1.5
119.01878	7.1
122.09613	9.6
125.05894	1.5
135.06723	2.1
142.03485	2.1
143.47878	1.3
147.11880	1.4
150.09109	45.8
178.08592	100.0
191.89027	1.6
202.21242	1.4
206.08093	60.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	206.0448
Annotation	6-Hydroxykynurenic acid
Peak:m/z	Relative Intensity
50.87158	0.2
51.08455	0.2
53.03945	0.2
56.96554	0.4
69.03372	0.2
71.67478	0.2
75.30797	0.2
79.05483	0.4
81.07044	0.5
83.04996	0.3
88.02180	0.4
95.04957	0.4
97.06553	0.4
98.97581	0.9
104.04999	0.3
105.03391	1.3
107.04948	0.8
111.04425	0.4
116.98621	0.3
125.05969	1.3
125.27611	0.2
129.05513	0.3
129.37389	0.2
132.04427	2.0
133.02811	0.3
135.04323	0.3
139.00209	0.3
142.03445	0.4
146.99619	0.3
150.05486	2.9
151.03885	1.4
153.05472	0.4
154.91130	0.2
158.58820	0.2
171.06494	0.9
178.04959	100.0
180.05447	0.3
206.04451	24.3
206.11755	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
51.84416	1.1
53.03952	1.3
55.01855	4.3
55.05489	6.9
57.07059	6.6
59.04985	1.6
65.84323	0.9
67.05474	9.5
69.03393	2.0
69.07054	13.1
71.04958	1.4
79.05470	10.7
81.07034	9.6
83.04942	1.5
83.08582	5.0
87.00317	1.1
91.05466	17.7
93.07023	16.2
95.04936	5.5
95.08588	11.1
97.02844	2.2
97.06510	2.3
99.08050	1.5
105.06357	2.3
105.07007	35.9
107.08570	36.9
109.06519	1.2
109.10138	8.1
111.08043	2.1
117.07003	10.6
118.18004	1.1
119.08556	100.0
121.06459	1.3
121.10117	40.9
123.11641	1.3
130.07767	4.8
131.08543	13.6
133.10117	28.2
135.08014	2.3
135.11673	8.5
137.09572	2.0
143.08519	5.3
144.09273	1.7
145.10100	48.3
147.11667	32.8
148.12462	1.5
149.02312	7.1
149.09584	7.4
149.13193	2.3
157.10059	8.0
158.10794	2.2
159.11679	12.6
161.13187	11.0
163.11169	2.1
163.14803	12.4
172.12408	6.9
175.14702	9.5
177.16371	6.8
187.14787	26.9
190.13446	2.2
200.72643	1.2
204.00844	1.3
205.15837	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	205.1586
Annotation	(+)-Chamecynenol
Peak:m/z	Relative Intensity
51.00582	0.6
51.27313	0.5
53.97771	0.5
55.05490	4.6
56.95571	0.5
58.14855	0.6
60.49935	0.5
67.05484	4.4
68.82172	0.6
69.07027	1.1
71.04973	43.5
79.05447	5.2
81.07034	13.1
85.06557	0.6
89.78675	0.7
91.05466	9.6
92.83220	0.7
93.07014	18.1
95.04929	3.5
95.08578	25.6
97.06517	2.5
105.07011	55.1
107.08576	14.9
109.06467	1.2
109.10123	2.6
111.08058	3.4
113.08843	1.1
113.09618	24.8
117.06985	2.6
119.08549	23.3
121.10118	14.7
130.07747	3.0
130.37561	0.7
131.08533	21.4
133.10091	1.5
135.11624	1.4
143.08522	0.9
144.09241	0.9
145.10098	39.5
147.11661	47.4
149.02406	1.2
149.09563	1.0
159.11652	9.5
161.12093	0.7
161.13179	5.5
163.11113	0.7
163.14740	3.0
177.12753	2.9
179.47844	0.8
187.14778	41.3
205.15842	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1586
Annotation	Khusimone
Peak:m/z	Relative Intensity
50.64010	5.4
55.05506	8.5
56.96540	12.3
57.07053	11.5
60.49673	6.0
67.05495	25.0
69.07048	14.7
71.04959	11.5
77.70094	5.4
78.95244	9.8
79.05468	10.6
79.32823	7.2
80.02039	6.4
81.03388	7.3
81.07023	55.6
87.04464	6.6
91.05447	17.2
92.63642	7.2
93.06509	9.2
93.07013	74.0
95.04917	16.5
95.08573	17.5
97.02869	15.7
105.07020	100.0
107.08597	54.6
109.02879	6.4
109.06489	41.1
109.10149	10.4
111.08047	10.5
117.06977	9.4
119.01872	27.3
119.08532	43.5
119.97887	7.4
121.02846	11.1
121.10127	88.6
122.94163	8.5
122.96461	9.5
131.08527	13.7
135.08014	15.4
137.02933	8.8
142.03467	30.4
145.10074	44.9
147.11685	82.7
149.02335	91.4
149.09618	11.4
158.96263	12.0
160.04478	8.5
161.13272	12.5
161.61627	7.2
163.14781	8.8
187.14728	13.1
205.12325	7.8
205.15822	88.1
217.28221	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	205.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00290	2.0
53.03933	2.5
53.12708	1.3
54.37476	1.0
54.71675	1.0
54.99577	1.1
55.05491	7.8
56.96273	0.9
56.96551	3.0
57.03426	1.8
57.07053	2.5
59.04985	1.9
67.05480	7.9
69.03405	9.7
69.07056	19.4
71.04975	26.8
72.12346	1.1
73.02864	1.3
76.56170	1.3
78.95248	1.1
79.05478	20.0
81.03368	1.7
81.07039	100.0
83.04956	9.5
85.02878	5.7
85.06507	1.8
91.05454	14.7
93.07018	27.0
95.04927	6.5
95.08591	4.0
97.02866	2.9
97.06499	6.7
98.97570	10.8
99.08057	5.9
103.05415	2.0
105.06998	12.9
107.08563	17.1
109.06470	5.7
109.10125	19.3
111.08066	1.7
111.11690	6.5
116.98588	7.9
117.07011	5.5
119.08531	1.3
121.06470	36.1
121.10093	6.4
123.08010	1.7
123.11671	23.1
125.18940	1.1
131.04858	1.4
131.08519	1.6
133.10095	10.9
139.11134	10.0
144.09290	1.8
145.10071	4.6
149.02296	5.6
149.05966	2.8
151.11174	13.6
157.12209	4.9
159.11737	2.5
169.04944	2.5
169.12231	10.9
181.02901	2.0
187.13260	6.9
200.16371	1.3
205.12137	9.2
225.00708	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.1434
Annotation	Unknow
Peak:m/z	Relative Intensity
53.00291	1.1
53.03927	1.5
53.59914	0.7
53.72128	0.8
55.05492	5.8
57.07060	1.2
59.04982	2.1
65.03918	0.9
67.05490	6.3
69.03412	1.0
69.07055	20.5
71.04974	27.8
79.05479	19.7
79.12970	1.0
81.07038	100.0
82.43227	0.9
83.04961	4.8
83.08604	1.0
84.13573	0.8
85.02901	0.9
87.08105	1.1
88.81490	0.8
91.05461	1.2
93.07005	4.8
93.97223	0.9
95.04922	1.1
95.08565	4.4
97.06502	6.1
99.08109	3.1
100.81355	0.9
104.81167	0.8
105.07026	1.3
107.08573	11.2
107.56689	0.8
109.06496	4.1
109.10147	18.2
111.08072	3.3
111.11684	7.0
115.70804	0.8
121.10121	1.2
123.11692	19.1
124.96051	1.1
133.10114	3.8
136.08720	0.9
139.11128	8.8
149.02321	1.5
151.11160	12.6
157.12209	7.5
169.12193	11.3
187.13310	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	205.1433
Annotation	Unknow
Peak:m/z	Relative Intensity
51.60695	1.3
53.03938	1.8
55.01861	2.6
55.05500	6.6
56.96548	10.7
57.07063	3.6
59.04982	2.4
59.12777	1.5
67.05492	14.1
69.03445	1.8
69.07059	17.9
71.04977	22.3
79.05464	18.9
81.03402	1.8
81.07039	100.0
83.04970	3.7
83.30630	1.5
91.05460	3.4
93.07014	8.3
95.04924	6.5
95.08568	2.9
97.02869	14.1
97.06522	6.2
99.08079	6.8
105.07005	8.6
107.04926	1.9
107.08600	12.8
109.02862	2.6
109.06503	2.1
109.10143	18.8
111.04428	1.7
111.08030	2.9
111.11713	3.1
115.04048	1.4
115.05482	3.3
119.04939	1.7
119.97921	1.7
121.10168	2.4
122.94188	1.6
123.04413	8.4
123.08015	1.9
123.11710	17.1
131.04907	2.0
133.06474	3.2
133.10011	1.6
139.01765	3.2
139.03867	18.8
139.11172	8.3
140.95215	1.7
146.69202	1.5
147.04373	3.1
149.02319	14.9
151.03886	3.3
151.11194	14.0
157.12216	6.0
161.05954	2.0
163.01848	5.7
169.12233	10.3
181.02817	11.5
181.97867	2.1
187.13313	2.6
197.01228	13.1
201.96935	1.5
213.00681	2.5
215.02324	2.4
227.02232	2.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1342
Annotation	Unknow
Peak:m/z	Relative Intensity
52.39444	0.8
52.82565	0.6
53.03941	1.3
53.42542	0.7
55.01854	1.2
55.05490	3.7
56.04768	1.0
56.05028	22.9
56.96550	3.3
57.03415	5.0
57.04531	1.2
60.04496	3.8
60.08149	8.1
68.05019	1.8
69.03405	1.8
70.06569	13.4
71.04977	32.9
71.05746	0.8
71.06096	18.0
72.04478	3.3
73.02888	1.5
80.05002	1.7
81.03402	13.2
82.06561	0.8
83.00753	0.8
83.04943	1.3
84.04486	11.5
85.02888	100.0
86.06049	0.9
88.07640	2.6
88.08727	4.7
96.04487	7.8
96.08104	1.8
97.02863	4.7
98.06033	19.3
98.97572	1.2
99.04426	4.3
106.06521	1.6
109.02856	4.5
112.07608	6.4
114.05509	4.5
115.05457	1.3
116.07098	7.1
117.01994	1.2
117.05480	3.7
119.01822	2.9
126.02594	1.2
126.05489	15.4
127.03898	4.6
131.04951	0.8
134.05981	14.6
134.08098	7.4
135.03072	1.5
136.73700	0.7
138.05490	15.9
140.07030	4.5
144.05435	1.2
144.06532	26.4
144.10153	1.4
145.04916	6.8
158.06030	1.4
158.08090	4.3
158.11809	2.0
158.12860	43.5
159.06743	1.3
160.07610	2.6
162.05461	11.5
168.06494	1.0
186.05759	1.5
186.07574	21.5
186.11140	1.2
204.06609	5.1
204.08632	2.8
204.13565	59.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0496
Annotation	1,4-Dihydroxy-2-naphthoate
Peak:m/z	Relative Intensity
55.01862	1.6
55.05486	1.3
55.40932	1.4
56.96541	1.5
59.81985	1.3
69.03400	1.9
69.34502	1.2
79.05464	6.8
81.07017	1.9
85.02904	1.7
91.05460	7.4
92.08698	2.9
93.07030	3.6
95.04987	2.1
97.02888	10.1
103.05449	8.7
105.07008	57.4
108.60044	1.3
115.05421	25.6
116.80763	1.4
119.04933	1.6
121.06539	1.9
131.04903	23.0
133.06465	100.0
142.04065	1.7
149.02338	9.4
149.05952	2.2
152.41283	1.4
159.04384	17.5
160.05194	6.1
161.05951	86.9
163.01724	1.7
171.05502	25.2
177.05452	13.6
181.02908	2.6
187.03879	15.6
205.04904	12.4
207.83527	1.5
215.93565	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	205.0971
Annotation	D-Tryptophan
Peak:m/z	Relative Intensity
65.13197	0.3
74.02412	1.8
88.27908	0.4
91.05502	0.5
93.28144	0.4
95.36449	0.4
103.43708	0.4
115.05409	2.9
117.05745	2.3
117.06970	3.4
118.06513	57.2
121.89999	0.4
130.06499	4.1
131.07500	0.3
132.08066	11.7
142.06496	6.4
143.07268	6.2
144.04355	0.7
144.06917	0.7
144.08058	22.1
145.06403	0.7
146.05984	100.0
159.09140	9.3
160.07547	1.9
170.05952	8.1
188.07027	59.6
198.61246	0.4
205.09746	0.7
207.99438	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1231
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03929	0.6
55.01849	1.2
55.05483	1.1
56.05027	11.6
56.96531	0.8
57.03396	3.0
57.04524	1.0
57.64054	0.4
58.06539	0.7
59.04974	0.5
59.05913	0.4
60.04499	1.9
60.08152	8.5
61.03448	0.5
68.04990	0.8
70.06572	8.4
71.04619	0.9
71.04975	16.5
71.06097	10.0
72.82555	0.4
74.58643	0.5
80.04971	1.2
80.81023	0.5
81.03390	5.9
82.06549	0.5
83.04949	1.0
84.04478	6.9
85.02888	100.0
86.06045	0.5
88.07603	0.7
88.08741	2.3
94.06557	0.6
96.04467	3.9
97.02860	2.1
98.06026	8.4
99.04456	2.1
100.42579	0.4
103.03960	0.5
105.06987	0.6
106.06531	3.7
107.04953	0.6
109.02919	1.1
110.01250	0.6
112.07620	2.3
114.05547	2.2
115.05469	2.4
116.07068	3.7
117.05659	2.9
119.01795	0.6
122.06026	0.6
126.05491	8.6
127.03963	2.3
128.02408	0.5
130.06619	0.8
131.04936	1.7
132.08116	1.2
134.05988	22.6
134.08098	3.7
138.05469	5.9
140.07129	2.1
144.05551	0.7
144.06546	11.7
144.10307	2.8
145.04938	4.8
150.46364	0.5
158.06012	4.6
158.08244	2.8
158.12860	20.7
159.06726	5.1
160.07538	6.3
162.05460	22.2
186.05936	1.5
186.07549	10.8
186.11375	0.9
188.79831	0.6
204.06808	8.3
204.08670	2.3
204.13673	32.1
211.32802	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.1342
Annotation	N(6)-glycyl-L-lysine
Peak:m/z	Relative Intensity
53.03928	1.1
55.05496	2.5
56.05026	15.8
57.03429	1.3
57.04549	3.9
60.04528	2.1
60.08146	4.4
61.87885	0.6
70.06573	10.0
71.04975	49.2
71.06094	28.2
71.06467	1.4
73.50582	0.6
80.04980	0.9
81.03408	8.1
85.02363	1.4
85.02884	38.8
88.07615	4.3
88.08717	6.2
96.08102	1.6
98.06005	10.1
99.04454	3.4
102.96872	0.7
109.01372	0.6
112.07570	3.0
116.07083	5.8
117.05418	5.3
126.05474	7.5
127.03899	3.2
134.08084	12.4
140.07080	0.7
144.06532	11.9
145.04951	0.9
150.92496	0.8
158.08040	1.0
158.12852	67.2
170.91409	0.8
186.07561	14.7
197.18448	0.9
204.13437	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.0067
Annotation	Unknow
Peak:m/z	Relative Intensity
50.22138	0.4
50.70142	0.4
56.96545	2.4
60.08746	0.6
72.02244	0.5
82.01482	0.4
85.85777	0.5
100.02444	1.0
101.00854	13.7
102.00927	7.7
113.64684	0.5
116.98600	0.8
119.01894	84.9
120.01970	40.6
120.95296	1.0
121.01668	0.9
125.02487	0.6
137.02924	34.6
138.03027	14.9
138.96361	7.6
139.02586	0.6
142.03476	6.9
143.03601	10.4
147.96909	3.4
149.48640	0.6
156.97446	100.0
157.47484	3.1
157.97566	0.8
159.47650	0.6
160.04520	3.1
161.02931	5.5
161.04594	4.8
161.97966	3.1
162.03079	5.0
165.97966	6.5
166.48009	1.1
168.48206	5.2
168.98325	1.2
171.48332	0.5
174.98494	93.7
177.48752	0.8
179.03995	16.2
179.05547	0.9
179.99028	70.6
180.04103	12.3
198.00095	59.9
203.05824	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1277
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01859	4.0
55.05498	8.0
56.96545	4.1
57.03415	4.5
65.03915	4.1
67.05492	52.3
69.03394	4.2
69.07050	1.6
70.21005	0.9
70.75198	0.9
71.04958	2.0
73.02885	3.8
79.05473	79.5
81.07034	26.3
83.04962	17.2
85.02885	3.9
89.98461	0.8
91.05453	12.7
92.08665	1.1
93.03378	9.1
93.06496	1.0
93.07024	8.5
95.08577	4.0
97.02843	1.6
97.06499	1.5
97.10143	3.9
98.97530	1.6
104.80550	1.0
105.07025	10.5
107.04959	1.3
107.08575	100.0
109.02843	1.2
109.06496	7.0
109.10138	11.5
111.04427	58.9
111.08029	2.4
115.05437	1.6
117.06992	7.7
119.01863	1.3
119.06031	1.4
119.08582	1.1
120.01969	1.2
120.96542	1.2
120.97913	1.1
121.10107	4.2
125.05965	1.5
125.09599	11.3
135.08023	14.5
138.98970	1.1
147.04340	8.2
153.09074	43.7
161.02965	1.5
167.10609	1.6
171.10126	12.0
174.85164	1.1
203.03391	5.4
203.07512	1.9
221.26518	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1795
Annotation	Tenuifolene
Peak:m/z	Relative Intensity
53.03921	1.6
53.63470	1.5
55.05504	11.3
57.07074	2.7
67.05480	24.5
69.07049	31.0
72.81747	1.8
79.05465	18.8
81.07032	54.0
81.07475	2.7
83.08623	3.8
91.05458	28.0
93.07022	29.3
94.07322	1.8
95.04956	3.0
95.08582	36.3
102.96850	8.8
105.07008	92.3
107.08577	19.3
109.10139	22.9
117.07032	3.7
119.01907	1.9
119.08551	61.4
119.75812	1.9
120.97903	8.2
121.10132	16.3
123.11669	7.4
131.08505	3.1
133.10098	38.9
135.11684	4.0
135.92891	1.6
138.98946	3.3
141.73938	1.7
145.10088	10.7
147.11661	100.0
151.54733	1.5
153.92804	1.5
155.01247	2.0
159.11649	2.2
160.12430	9.7
161.02943	2.0
161.13197	14.5
163.68771	1.6
175.14838	3.1
191.89418	1.8
203.17921	60.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	(+)-alpha-Curcumene
Peak:m/z	Relative Intensity
52.13488	0.7
55.05492	4.7
58.81709	0.8
63.63987	0.8
67.05490	9.4
69.07056	18.5
71.23428	0.9
79.05466	7.6
80.06013	0.9
81.07037	44.0
83.08618	2.2
90.88499	0.9
91.05459	21.4
93.07029	13.7
95.04979	1.0
95.08582	13.5
102.96834	1.4
103.05464	1.1
105.07013	98.0
107.08575	8.4
109.10120	11.7
117.07015	6.9
119.08558	100.0
120.96461	1.3
121.10113	10.9
123.11650	1.5
131.08537	5.5
133.10089	20.5
134.65738	1.0
145.10086	9.8
146.10886	1.8
147.11662	34.5
159.11635	1.9
160.12440	7.5
161.13203	11.2
176.20938	1.1
189.53595	0.9
203.17920	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	203.1794
Annotation	7,8-Dehydro-alpha-acoradiene
Peak:m/z	Relative Intensity
51.55569	0.9
52.33863	0.9
55.05502	14.2
57.07072	10.0
58.06577	1.1
62.06059	4.4
62.37927	1.1
67.05486	24.0
69.07052	22.7
71.08606	1.8
77.15923	1.0
79.05468	17.5
81.07037	46.5
83.08575	1.9
91.05450	34.3
92.64312	1.1
93.07021	26.4
95.04922	1.2
95.08584	31.0
102.96837	5.6
105.07010	100.0
107.08577	24.9
109.10138	33.0
117.07008	1.8
119.01942	1.6
119.08559	81.0
120.96510	1.9
120.97854	5.7
121.10109	17.0
121.96696	1.3
123.11676	9.5
131.08516	2.6
133.10098	32.5
137.76465	1.0
138.98923	6.3
145.10112	12.3
147.11664	85.0
157.00046	1.1
159.11635	4.4
160.12462	1.6
161.13216	14.7
175.14793	2.2
176.07098	1.2
185.20857	2.1
202.21649	6.4
203.14796	1.2
203.17935	42.4
203.19801	1.9
203.20192	1.6
203.21947	26.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	204.0867
Annotation	N2-Acetyl-L-aminoadipate
Peak:m/z	Relative Intensity
50.59266	0.6
51.07762	0.6
53.03928	1.1
54.75151	0.7
55.01852	1.5
55.05499	1.2
56.04805	0.7
56.05030	13.5
56.96545	1.4
57.03422	3.5
60.04504	4.7
60.08146	7.6
61.02894	1.0
62.21479	0.6
68.05002	3.0
69.03408	3.9
70.06573	14.3
71.01308	0.6
71.04972	10.6
71.06099	10.1
72.04485	1.1
73.02894	0.8
79.05461	0.8
80.04980	1.4
81.03398	9.6
82.06538	1.0
83.04965	1.3
84.04485	16.0
84.08109	0.9
85.02885	100.0
87.50708	0.7
88.07616	0.9
88.08725	1.3
94.06566	1.4
96.04461	11.8
96.08111	0.8
97.02874	5.7
98.06020	14.4
99.04428	3.0
103.03909	1.2
106.06540	1.7
107.04928	1.1
109.02859	3.4
112.07571	6.7
114.05514	5.5
115.05397	1.7
116.07063	4.4
117.05505	1.1
119.01786	0.8
126.05489	15.1
127.03889	3.6
130.04971	1.5
131.04907	1.0
132.08058	3.2
134.05986	23.6
134.08112	3.5
135.03079	0.9
138.05470	18.8
140.07056	5.3
144.06529	23.8
144.10185	3.0
145.04933	5.2
158.06009	5.7
158.08035	6.9
158.12846	17.5
159.06767	4.4
160.07510	5.5
162.05466	21.4
168.06497	1.2
178.12218	0.8
178.95985	0.8
186.05754	1.5
186.07542	16.7
204.06583	7.5
204.08655	5.8
204.12064	11.3
204.13428	23.5
221.88802	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	201.1484
Annotation	UNII-UOM92D5748
Peak:m/z	Relative Intensity
53.03941	1.3
55.05507	29.8
56.96561	2.1
57.03423	3.3
57.03694	1.1
57.07067	5.5
58.95436	1.2
59.04979	1.8
61.40033	1.7
67.05485	29.8
69.07059	13.6
70.02944	1.3
71.04987	17.3
72.66380	1.4
79.05473	8.9
81.07039	98.1
83.04963	3.3
83.08596	16.5
85.06533	19.5
85.40032	1.5
87.90198	1.2
91.05472	11.4
92.08678	1.5
92.91168	1.3
93.07017	11.9
95.08588	31.0
97.06513	2.5
97.44965	1.4
98.97570	9.2
99.08079	3.1
99.97903	3.0
101.11286	1.4
102.95271	1.4
105.07027	28.1
107.08562	14.1
109.06524	2.0
109.10163	7.2
111.08087	1.9
113.06013	2.5
116.98607	8.8
117.07015	2.6
117.98923	1.8
118.96751	7.6
119.08564	8.9
121.10117	19.6
123.08013	2.0
123.11685	100.0
127.07554	1.8
129.07100	1.5
131.08577	3.1
133.10097	1.9
134.97223	1.2
134.99648	9.3
135.99966	1.9
137.13312	6.0
138.25789	1.5
143.08562	2.5
145.10123	17.6
147.11678	33.1
153.00661	1.6
154.96492	2.1
159.11655	8.6
165.12749	24.0
177.98035	3.5
183.13820	8.9
201.16403	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	202.0895
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05504	9.8
56.05029	18.8
56.05893	0.6
56.96570	0.9
58.99575	30.9
69.07062	0.8
74.00635	2.6
76.02192	5.0
79.05476	29.6
81.06593	1.2
81.07039	24.2
82.06568	9.1
85.01114	100.0
86.00634	14.4
86.09692	0.7
86.98545	1.2
86.99038	22.3
88.02197	3.3
88.03960	3.0
91.05466	0.8
94.06538	1.2
95.04920	2.5
96.08100	2.6
97.08888	7.0
98.09670	20.1
98.97527	1.1
105.00094	6.3
105.06982	0.8
113.04206	33.3
114.09152	1.5
119.01895	4.2
119.03637	0.7
120.01144	2.4
121.10136	0.7
122.09602	2.7
132.01125	10.6
145.10109	0.9
146.10461	0.9
156.08421	5.3
162.28667	0.6
185.04887	0.7
185.06252	5.9
202.08929	19.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	202.2164
Annotation	DDAO
Peak:m/z	Relative Intensity
52.41612	0.7
55.05501	0.7
57.07069	32.6
58.06580	4.2
62.06072	14.9
71.08612	6.3
85.10165	5.4
90.58400	0.7
92.08651	1.2
107.04942	1.6
108.91369	0.7
141.71844	0.7
184.20570	10.2
202.21631	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	200.0917
Annotation	Unknow
Peak:m/z	Relative Intensity
53.14787	0.5
55.01861	3.1
55.05498	2.4
56.05029	3.4
57.07058	0.5
59.78047	0.5
63.60390	0.5
67.05492	0.7
69.07055	1.0
70.02933	2.6
70.06562	0.6
73.02904	3.4
76.56161	0.5
80.88806	0.5
82.06574	0.7
84.08128	100.0
85.06539	7.1
91.92846	0.5
111.34358	0.5
112.07593	2.6
126.09128	21.6
140.07071	0.7
144.10185	28.1
154.08740	1.6
155.02097	0.5
167.68437	0.6
172.09654	19.5
172.11050	0.9
182.08141	0.7
199.18932	1.3
200.09175	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	197.117
Annotation	Kobifuranone A
Peak:m/z	Relative Intensity
53.03952	1.4
54.72203	1.2
55.05497	7.0
57.07053	1.3
57.76278	1.2
59.04995	2.0
60.27601	1.4
60.52390	1.1
67.05487	8.1
69.03407	2.0
69.07048	1.9
70.95844	40.7
72.93763	19.7
73.06468	1.6
79.05463	11.7
81.07044	14.3
88.96883	9.7
90.94804	3.3
91.05460	21.1
91.22776	1.2
92.08651	2.0
93.07024	20.9
95.04942	11.9
95.08572	3.1
104.59631	1.2
105.04543	1.7
105.07009	38.5
105.07661	2.3
107.08563	58.9
109.06499	9.5
109.10140	10.0
111.79768	2.0
111.98436	26.5
114.36945	1.8
115.12410	1.4
119.04917	2.1
119.08546	8.9
121.06508	2.7
121.10125	1.8
123.04404	2.0
123.11650	2.8
123.40495	1.5
125.05981	6.1
125.09574	1.7
129.99490	16.8
131.08522	2.8
132.95801	64.3
133.06520	1.5
133.10098	73.5
135.11662	35.4
137.05969	6.0
137.09599	3.6
145.35609	1.8
146.07181	1.8
150.96857	100.0
151.11176	5.9
155.97406	23.6
161.09564	22.5
167.67224	1.5
168.97908	1.7
173.98442	46.2
179.10626	69.9
197.11681	50.0
211.13837	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.1172
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03920	1.3
55.01871	6.9
55.05504	34.9
58.36581	0.8
67.05499	1.0
69.03413	1.9
69.85042	0.7
70.95850	19.1
72.93762	8.5
74.27268	0.8
79.05465	5.0
81.03376	1.3
81.07035	24.2
86.07636	1.0
88.96911	2.1
90.94794	1.9
91.05456	4.8
92.08678	1.0
93.06999	1.9
95.04925	1.7
97.06511	11.5
99.04432	14.8
105.07014	7.5
107.08575	5.6
109.06522	10.6
109.10170	1.2
111.04392	1.0
111.98468	12.7
113.96391	1.0
122.90456	0.9
123.11649	1.2
125.05964	100.0
127.03896	36.1
128.25060	0.8
129.99495	5.7
132.95819	28.5
133.10094	7.7
137.05959	75.5
141.05522	1.0
143.08487	1.2
145.04988	1.1
150.96860	45.2
151.11182	1.1
155.97406	9.7
161.09537	7.6
168.97949	1.6
169.90277	1.0
173.98447	19.2
179.10628	10.8
197.11691	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	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
52.62457	0.6
53.29634	0.6
55.01860	1.6
56.77237	0.6
57.90750	0.7
65.03919	1.8
67.05474	1.3
67.19317	0.7
70.95839	8.1
72.93769	4.3
73.02900	14.7
81.07020	1.4
88.96832	1.0
91.05463	4.0
93.07042	0.9
95.04925	1.4
108.02062	1.2
111.04417	0.8
111.72861	0.8
111.98465	7.6
119.04929	1.6
125.05956	9.7
129.99487	3.6
132.95802	15.4
137.05994	1.4
137.19394	1.0
141.05455	3.6
149.05972	1.6
150.96863	22.9
151.03888	100.0
151.05014	11.6
151.07486	1.3
155.97429	4.9
173.98450	9.2
179.07040	12.6
194.52658	0.8
197.08000	6.5
206.95451	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	197.0807
Annotation	beta-Hydroxypropiovanillone
Peak:m/z	Relative Intensity
55.01851	1.5
61.03400	0.3
65.03916	1.7
67.05484	1.7
69.98622	0.3
70.95850	3.4
72.93762	0.5
73.02895	13.7
91.03974	0.4
91.05458	3.4
93.03379	0.7
95.04925	1.9
108.02086	2.3
109.02863	0.5
110.03635	2.1
111.04415	1.8
111.98467	2.2
112.01569	0.3
119.04910	2.8
124.46999	0.3
125.05964	10.7
132.95804	5.1
137.05948	0.6
141.05440	5.1
149.05971	2.8
150.96870	6.0
151.03883	100.0
151.05000	11.3
151.07425	3.0
151.64302	0.3
155.97408	1.9
173.98438	3.5
179.06989	13.3
197.08055	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	195.1742
Annotation	Geranylacetone
Peak:m/z	Relative Intensity
51.68306	1.4
53.03928	1.9
55.01861	1.4
55.05503	28.1
57.03427	1.9
57.07057	7.1
67.05483	9.3
68.85043	1.4
69.03406	8.2
69.07053	49.7
69.17717	1.5
71.04967	11.7
79.05473	14.6
81.03397	32.8
81.06597	2.7
81.07036	52.5
83.08604	20.8
85.02867	3.5
85.06532	2.1
91.05479	2.2
93.07014	31.9
94.48695	1.8
95.08580	82.6
97.10120	7.9
99.08067	20.9
105.07018	7.7
107.08576	69.4
109.02861	12.0
109.10114	16.1
111.08079	3.6
113.09599	3.6
119.08546	1.8
121.10111	93.1
125.09597	20.9
130.20421	1.8
135.11662	22.9
137.13228	16.4
139.11214	1.9
148.97359	1.9
149.13223	2.7
174.45204	1.7
177.16348	100.0
195.17435	9.1
208.35730	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1744
Annotation	Unknow
Peak:m/z	Relative Intensity
51.47399	1.5
53.03947	4.2
55.01860	6.9
55.05505	23.8
57.03436	1.8
57.07070	6.8
63.20950	1.6
67.05487	13.1
68.96307	2.9
69.03423	12.4
69.07053	55.8
70.94269	1.8
71.04982	16.0
73.56968	1.5
79.05471	17.2
81.03404	57.8
81.07037	53.1
83.08607	22.4
83.38593	1.8
85.02895	8.7
85.06522	2.6
91.05480	4.1
93.07028	37.5
95.08584	83.4
95.31953	1.5
96.38126	1.4
97.10147	10.4
98.97557	1.8
99.08082	29.9
99.53347	1.6
105.07012	9.7
107.08579	69.8
109.02854	26.0
109.09440	2.9
109.10128	21.2
109.98982	2.1
111.08050	12.0
111.11698	2.2
113.09686	2.9
116.98566	2.2
121.06471	1.8
121.10123	98.6
123.11652	2.4
124.03164	2.0
125.09624	21.2
127.03873	1.5
130.96289	10.0
135.11668	18.6
135.50334	1.8
137.13220	22.1
139.11189	3.2
148.97371	14.2
149.13260	3.8
149.97191	2.5
151.44853	1.6
153.97823	2.4
163.03979	3.4
171.98952	2.9
172.98778	1.7
177.16351	100.0
195.17355	17.0
208.01248	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1378
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.00295	2.1
53.03947	9.9
54.36600	0.8
55.01853	3.7
55.05505	32.0
57.03426	10.0
57.07046	4.5
65.03915	1.3
67.05148	1.2
67.05491	28.8
68.85164	0.9
69.03427	8.5
69.07054	46.0
71.04623	0.9
71.04978	22.5
77.03876	0.9
79.05475	69.4
81.03400	61.5
81.07038	57.4
83.04955	2.0
83.08591	7.3
85.02878	4.6
85.06514	2.3
89.03949	1.0
91.05460	50.3
93.07021	100.0
95.04945	22.7
95.08587	33.9
97.06497	4.4
99.04436	1.2
103.05474	1.3
104.06192	1.8
105.04464	1.1
105.07016	28.7
107.04939	13.3
107.08575	52.6
109.02126	1.7
109.02859	28.0
109.06493	17.7
109.10136	2.1
109.98962	1.8
115.05422	5.3
117.03343	1.2
117.06994	22.9
119.08560	32.4
121.06483	17.9
121.10126	12.9
122.07285	4.0
123.08035	3.5
123.57267	1.0
127.03916	2.0
129.06990	8.8
130.07773	7.4
130.96268	1.1
131.00151	1.3
131.08545	28.8
133.02840	5.0
133.06458	3.7
133.10078	6.1
135.04375	4.1
135.08047	7.3
135.11647	8.5
137.09598	12.3
142.91820	1.0
144.09329	9.8
145.02780	1.2
148.97363	6.2
149.13240	12.4
149.97171	1.4
153.97836	1.3
159.11679	22.8
163.03865	30.5
171.98935	1.5
177.05481	1.5
177.12695	9.5
180.22607	1.1
194.04399	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.1379
Annotation	6-Methyl-7-(3-oxobutyl)-bicyclo[4.1.0]heptan-3-one
Peak:m/z	Relative Intensity
53.03723	1.0
53.03936	8.1
55.01841	0.9
55.05503	6.5
57.03423	5.2
67.05490	10.3
68.62952	1.0
68.96314	1.1
69.03413	8.7
69.07038	1.5
71.04972	15.4
71.75136	0.9
72.03689	1.0
75.04451	2.1
79.05477	7.7
81.03394	100.0
81.07030	5.2
82.19407	0.9
83.04953	1.5
85.02892	9.8
85.06516	4.9
89.03900	1.6
91.05462	13.4
93.07027	36.0
95.04932	11.7
95.08581	48.9
97.06483	1.4
98.17655	1.0
99.04454	5.1
103.05457	1.1
104.17365	0.9
105.07007	9.7
107.04941	7.0
107.08557	12.4
109.02859	43.6
109.06491	4.7
109.10135	5.2
109.98975	1.2
111.08122	1.2
117.03374	1.9
117.07007	4.1
119.08551	34.7
121.06483	6.6
125.37324	1.0
127.03902	4.0
130.96234	1.4
131.08568	5.8
131.96155	1.5
133.02821	9.7
133.06522	1.5
133.10098	2.4
135.04379	13.4
135.08037	2.4
135.11687	6.3
137.09596	42.5
138.03128	1.0
144.09390	4.1
145.02826	2.3
148.97336	7.3
149.05984	1.9
149.97176	2.4
153.12704	1.5
153.97871	1.1
159.11661	14.5
163.03865	73.4
164.04317	1.1
171.98975	2.3
177.05429	3.7
177.12689	5.5
195.09154	5.0
195.13776	4.2
202.51071	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0651
Annotation	2,4,8-Trihydroxy-1-tetralone
Peak:m/z	Relative Intensity
53.03930	0.8
53.91491	0.7
56.96545	0.8
57.13840	0.8
63.02327	1.6
70.78307	0.8
71.04959	1.3
76.55930	1.0
78.04686	1.2
81.03397	7.1
89.03366	1.6
89.03895	37.2
91.05448	4.1
98.97536	1.3
103.05460	1.2
106.04137	2.0
109.02905	1.1
117.03352	78.3
134.03609	12.9
135.04381	8.7
145.02821	100.0
149.05965	31.2
153.82211	1.0
162.03084	1.9
163.03883	12.1
177.05432	98.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0863
Annotation	Methyl beta-D-galactoside
Peak:m/z	Relative Intensity
53.03683	0.3
53.03936	6.0
57.03426	5.2
61.02926	0.5
62.49122	0.2
69.03072	0.3
69.03419	6.3
71.01331	1.2
71.04974	12.5
75.04457	1.2
81.03399	100.0
85.02885	9.5
85.06542	0.3
92.09238	0.4
94.56221	0.3
97.02901	0.5
99.04430	4.4
101.02370	0.4
109.02861	38.3
113.05989	1.2
127.03895	4.8
134.92694	0.3
135.04408	0.3
141.05457	0.3
145.02806	0.3
163.03862	0.6
168.73103	0.3
209.72894	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0863
Annotation	Unknow
Peak:m/z	Relative Intensity
50.11016	0.2
53.03936	6.1
55.01861	0.2
55.05483	0.4
56.96548	1.1
57.03423	5.9
59.04988	0.4
63.43179	0.2
64.33372	0.2
69.03412	7.1
71.01340	1.2
71.04974	13.0
73.02882	1.2
75.04443	1.8
81.03396	100.0
83.04960	0.5
84.08119	1.3
85.02882	9.4
85.06535	0.5
93.30190	0.2
94.55347	0.3
97.02866	1.1
98.03687	0.3
98.97564	1.7
99.04417	4.9
101.02351	1.0
109.02856	42.4
113.05990	1.2
116.98602	0.4
117.05515	0.3
120.02569	0.3
121.06499	0.4
127.03882	6.0
130.96304	0.5
134.99646	0.4
141.05441	0.3
148.97351	0.3
155.66559	0.3
163.03857	0.3
177.00652	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1587
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
50.69736	2.6
52.45044	2.5
55.05490	13.9
58.35320	2.6
59.04979	3.4
60.26407	2.7
67.05481	14.9
69.07059	41.2
71.04974	13.9
79.05462	14.2
81.07024	20.6
85.06513	5.7
91.05453	5.9
93.07030	37.7
95.04932	37.8
95.08578	17.4
97.10149	3.8
99.08076	4.2
99.53551	2.8
103.05408	3.0
105.07011	15.4
107.08572	42.6
109.06497	100.0
109.10134	21.6
111.08068	3.4
119.08547	18.3
121.10123	7.3
123.02065	2.9
123.08047	5.5
123.11643	15.7
131.08525	3.9
133.10123	25.4
135.11655	33.0
137.09586	5.1
149.13242	5.8
175.14803	27.2
193.15874	54.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	195.0652
Annotation	Methyl 2-(4-methoxyphenyl)-2-oxoacetate
Peak:m/z	Relative Intensity
51.02372	0.1
53.03938	1.7
55.05502	0.1
56.96550	0.1
57.03424	1.3
57.45206	0.1
62.88441	0.1
64.57595	0.1
68.96311	0.8
69.03412	1.8
70.94232	0.3
71.01334	0.2
71.04975	3.1
73.02938	0.2
75.04453	0.3
77.68584	0.1
79.05473	0.3
81.03398	27.0
85.02894	2.3
89.03901	0.3
91.05459	0.4
93.07014	0.2
95.04947	0.7
98.97546	0.9
99.04427	1.0
103.05431	0.2
107.04938	100.0
108.05264	0.3
109.02861	10.5
109.06490	0.3
109.98933	0.3
113.05985	0.2
116.98609	0.3
117.03345	1.5
121.06467	0.7
127.03907	1.3
130.96274	0.9
134.99675	0.3
135.04414	0.3
135.07967	0.2
136.56679	0.2
137.05956	1.0
140.06285	0.2
145.02827	2.1
148.97374	1.4
149.06001	1.1
153.97893	0.2
163.03859	0.9
167.07140	0.2
171.98967	0.7
177.05402	1.6
195.06471	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
51.37750	0.9
55.01857	2.7
55.05513	9.2
57.03420	2.4
57.07056	4.7
59.04976	2.0
59.92866	0.9
67.05490	9.0
69.03416	2.7
69.07051	10.2
71.04958	2.5
76.55680	1.1
79.05463	16.0
81.03382	1.5
81.07034	15.7
83.04960	2.0
83.08601	1.3
91.05459	27.9
93.07019	100.0
95.04961	7.7
95.08584	16.7
99.55446	1.1
103.05448	3.0
105.04536	2.1
105.06364	1.2
105.07004	45.8
107.08569	96.4
109.06522	8.5
109.10156	11.4
111.04391	2.0
113.84348	1.1
115.05446	5.5
117.07027	1.6
118.04119	1.5
119.08543	38.4
120.09324	2.9
121.10152	1.6
123.11695	4.9
133.06474	18.4
133.10088	37.3
135.11664	76.3
137.09647	2.2
143.06094	1.4
145.10121	2.5
147.11687	8.4
149.02213	1.5
149.13170	1.3
153.95963	1.3
159.76634	1.3
161.05960	18.5
175.14786	29.8
193.04857	1.9
193.08589	4.6
193.12242	1.8
193.15883	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	193.1586
Annotation	Pseudoionone
Peak:m/z	Relative Intensity
53.03922	1.7
54.81978	1.6
55.01873	3.2
55.05502	15.7
55.80206	1.2
56.96559	2.9
57.03416	3.1
57.07067	2.1
59.04986	30.1
67.05491	22.5
69.03416	5.6
69.07053	19.6
69.26785	1.2
71.04970	2.2
72.93845	1.5
79.05473	23.7
81.07034	33.8
83.04972	2.5
83.08595	7.9
87.04455	1.6
91.05453	30.6
93.07018	32.4
95.04938	7.6
95.08580	33.2
97.02850	2.3
97.06546	1.8
98.97552	9.4
103.05444	7.9
105.07010	100.0
105.45988	1.4
107.08570	51.6
109.06504	6.5
109.10136	27.9
111.08101	1.6
115.05444	9.6
116.98598	3.3
117.06988	5.8
118.04124	6.2
119.08552	94.3
121.10095	18.8
123.08026	3.0
123.11677	5.5
125.09552	1.5
129.05458	1.3
131.08536	8.6
133.02863	1.8
133.06471	25.5
133.10101	85.2
135.11676	22.8
137.09563	3.2
143.05966	1.9
145.10139	3.4
146.10933	2.2
147.08011	1.4
147.11668	23.9
149.13214	7.9
158.99687	1.5
160.12416	2.4
161.05931	22.5
175.14775	69.5
178.02573	2.9
182.07019	1.4
191.99205	1.4
193.04930	10.8
193.08476	1.6
193.15849	27.0
209.75415	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0859
Annotation	3,4-Dimethoxycinnamaldehyde
Peak:m/z	Relative Intensity
55.01868	97.4
57.03423	33.3
72.89230	3.8
79.05464	34.3
91.03159	3.9
91.05455	9.5
103.05437	25.7
105.07013	89.0
109.06503	18.6
119.08565	9.7
120.05686	4.7
121.06469	6.6
133.06447	17.2
133.10098	7.5
135.08022	21.6
137.05940	69.8
145.06422	4.9
149.05956	8.4
150.06752	16.3
151.07413	3.9
161.05997	20.0
163.07533	7.6
165.09076	99.1
175.07515	36.5
175.14774	7.3
193.08551	100.0
193.96278	4.1
206.07077	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	193.1223
Annotation	Ibufenac
Peak:m/z	Relative Intensity
55.01845	1.8
55.05503	20.5
57.03416	8.4
57.07028	2.2
59.04988	4.0
67.05485	9.4
69.03408	4.5
69.07040	4.2
71.04962	13.0
76.49490	2.1
79.04646	1.7
79.05476	15.0
81.03398	3.9
81.07027	9.6
83.04947	13.3
91.05458	21.3
93.07014	20.9
95.04942	11.4
95.08582	9.2
95.43974	1.8
97.06505	2.2
99.04422	20.5
103.05435	8.1
105.07006	100.0
106.86739	2.0
107.04922	1.9
107.08579	7.5
109.06487	4.1
109.10113	9.4
111.04400	3.4
113.08131	2.2
115.05429	11.5
117.06975	2.3
119.04919	2.4
119.08561	33.0
131.04910	2.0
131.08487	2.6
133.02882	3.0
133.06462	29.0
133.10104	59.2
135.07997	2.7
137.05972	2.5
142.07762	2.0
143.05992	3.2
147.07997	3.7
147.11652	14.0
157.10104	4.6
161.05980	27.5
166.04660	2.0
175.11118	4.0
175.14764	11.6
193.04921	10.7
193.08498	4.5
193.12115	21.9
193.15892	3.9
211.10762	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	193.1222
Annotation	7-Deoxonarchinol A
Peak:m/z	Relative Intensity
53.03939	4.6
54.81373	0.5
55.01866	76.2
55.05503	3.8
56.50744	0.6
57.03428	100.0
57.07025	0.7
58.64257	0.4
59.56681	0.5
65.03934	0.8
67.05202	0.5
67.05499	9.3
68.47594	0.5
69.03405	0.8
69.07059	0.9
71.04984	0.6
74.54894	0.5
75.04456	5.1
77.03906	2.1
79.05473	35.5
81.03407	0.6
81.07038	7.4
83.04970	0.8
85.06513	4.7
91.05457	48.5
93.07020	33.7
93.40079	0.5
93.67401	0.5
93.68150	0.6
94.04170	2.4
95.04401	0.9
95.04951	15.0
95.08582	4.5
97.06509	0.6
103.05450	27.8
104.06254	1.0
105.04491	2.3
105.07010	84.8
107.04913	6.1
107.08559	4.9
109.06503	16.6
109.10130	6.5
111.08019	0.6
115.05447	6.4
117.06995	10.0
118.04121	4.4
119.04900	1.3
119.08557	47.0
120.05688	9.7
121.06478	27.8
129.07007	1.1
130.04118	2.9
131.04915	3.6
131.08554	1.0
132.05670	2.6
133.06464	15.2
133.10098	11.5
135.04388	0.9
135.08022	22.7
135.11649	0.6
137.05954	62.8
137.09578	7.2
139.07503	0.7
142.07750	5.9
145.06467	11.0
145.10098	1.1
146.07251	8.1
147.04382	2.8
147.08014	16.5
147.11661	13.6
149.05997	5.2
150.06743	16.8
151.07472	3.3
157.10080	2.2
160.08833	1.0
161.05954	12.1
162.06694	0.9
163.07507	12.2
165.09074	78.9
175.07510	34.5
175.11147	16.3
175.14763	4.6
177.05437	1.1
178.06154	0.9
193.08563	76.7
193.12206	3.1
193.15849	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0706
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	5.3
55.01867	8.9
55.05506	1.3
57.03428	17.9
59.04988	12.2
60.02137	3.2
61.02915	6.5
61.11502	0.6
63.20487	0.6
68.02637	2.9
68.99768	9.6
69.03416	100.0
71.01341	1.7
71.04981	9.4
73.02906	14.3
73.06559	0.7
75.04459	15.2
81.03409	5.5
83.01343	3.1
83.04969	7.6
84.02123	0.7
85.02892	39.2
87.00833	1.4
87.04453	66.3
92.08719	0.7
97.02869	45.4
97.03498	1.5
98.03625	0.8
99.04439	14.0
99.71765	0.7
101.02368	1.6
101.05977	6.3
103.18540	0.7
111.00784	7.0
111.04430	24.7
113.02357	1.7
113.19322	0.7
115.03915	3.6
119.28908	0.7
125.02370	1.3
129.01836	11.2
129.05452	21.0
139.00195	6.5
147.06503	5.6
157.01306	1.7
168.10338	0.7
180.27670	0.8
187.44220	0.7
205.27905	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	193.0494
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
55.01861	0.3
55.05494	0.3
55.88344	0.3
58.28944	0.2
62.43187	0.3
64.33149	0.3
67.05467	1.2
68.99771	0.4
69.03403	0.4
72.40144	0.3
79.05501	0.4
81.07021	0.4
89.90907	0.2
91.05447	1.2
93.06995	0.4
95.04922	0.6
95.08616	0.3
97.36588	0.3
98.97579	0.3
105.03370	1.3
105.07005	0.7
107.08562	0.5
109.10120	1.7
115.41254	0.3
119.08547	1.4
122.03641	2.5
123.08012	0.3
123.18105	0.3
133.02817	4.8
133.10089	1.6
135.11626	0.6
147.04323	0.5
150.03105	11.5
151.03873	0.4
161.02286	1.9
162.03067	1.4
175.14763	0.6
178.02567	56.6
179.03256	0.3
193.04922	100.0
193.15837	0.7
194.05292	0.4
201.77872	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0494
Annotation	1,3,6,8-Naphthalenetetrol
Peak:m/z	Relative Intensity
53.03943	0.5
53.73729	0.4
54.97438	0.4
55.01859	0.7
55.05487	0.7
56.96550	0.8
57.03421	0.6
59.04973	0.5
63.70379	0.3
69.03407	0.7
79.05488	3.7
81.07018	1.9
83.04964	0.7
85.02891	0.5
87.04459	0.4
88.46334	0.5
89.03888	1.7
91.03020	0.4
91.05455	2.7
91.55174	0.4
92.08641	0.6
93.07050	0.4
93.31389	0.4
94.04160	1.5
95.04945	2.3
95.08559	0.8
97.02848	0.4
98.97551	1.6
103.05466	3.6
105.03364	2.1
105.07005	24.9
107.08563	0.8
111.04414	0.4
115.05425	5.8
116.98672	0.4
117.03369	0.9
118.04137	2.8
119.04922	0.6
119.08519	1.8
121.06315	0.4
122.03602	6.7
131.04918	0.9
133.02823	58.8
133.06456	18.3
133.10075	1.9
135.11632	0.4
137.05952	15.5
143.05972	0.9
147.08003	1.7
149.05901	4.6
150.03110	8.5
161.02325	0.7
161.05939	15.1
163.30266	0.4
165.05434	4.4
175.14807	0.5
178.02563	45.5
187.31105	0.4
193.04926	100.0
193.08563	2.1
193.16093	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0493
Annotation	Scopoletin
Peak:m/z	Relative Intensity
53.03920	0.3
56.47049	0.3
56.96538	0.6
59.04966	0.3
65.03892	0.3
65.65763	0.3
66.04692	0.4
67.05485	0.3
69.03403	0.4
71.04982	0.4
73.68566	0.3
74.09687	0.4
77.03898	0.4
79.05447	0.5
81.03345	0.4
84.03500	0.3
87.69278	0.3
89.03883	1.9
91.05450	1.4
93.07017	0.7
94.04157	1.6
95.04922	0.5
95.08585	0.5
98.97556	0.6
105.03364	1.8
105.06989	2.3
107.08546	0.4
109.06488	0.4
116.98611	0.5
117.03365	0.7
119.08517	0.7
122.03606	8.2
131.08456	0.3
133.02817	62.5
133.10104	1.6
134.03571	0.6
137.05949	17.2
140.21347	0.3
149.05954	4.7
150.03113	7.0
161.02344	0.8
165.05421	4.5
174.28365	0.3
178.02565	40.7
193.04918	100.0
193.15794	0.5
194.05373	0.5
205.93312	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	193.0495
Annotation	Isoscopoletin
Peak:m/z	Relative Intensity
61.15040	0.4
61.51795	0.4
67.05480	0.6
71.57642	0.5
75.25859	0.5
79.05491	0.7
81.07045	1.2
89.03901	0.9
91.05428	0.8
93.07005	2.3
94.04140	0.7
99.09833	0.5
100.59884	0.5
105.07001	5.0
107.08585	4.5
109.06516	0.9
117.03312	0.8
119.08594	0.8
121.10168	0.7
122.03632	5.5
133.02824	54.8
133.06467	2.5
135.11670	6.1
137.05959	16.3
149.05927	3.5
150.03110	5.9
161.06021	2.0
165.05405	5.3
178.01324	0.8
178.02576	35.0
193.04929	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	192.0765
Annotation	Carbendazim
Peak:m/z	Relative Intensity
50.74147	0.1
56.96555	0.2
75.14985	0.1
83.39332	0.2
91.54601	0.1
92.04944	0.2
105.04479	0.3
119.08602	0.2
122.50111	0.1
132.05547	2.2
133.02728	0.2
133.06387	0.3
135.05481	0.3
150.96861	0.3
160.05023	100.0
161.05382	0.3
174.06320	0.1
192.07634	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	193.0343
Annotation	Citric acid
Peak:m/z	Relative Intensity
54.81611	0.3
55.01872	1.2
56.05265	0.2
57.03425	0.5
61.02915	2.9
62.06615	0.2
67.01849	0.3
68.99776	74.4
69.03423	2.5
73.02892	0.5
75.04442	0.3
83.01331	0.6
83.04937	0.5
85.02879	1.2
87.00811	17.3
87.04449	1.4
95.05000	0.3
97.02876	1.0
101.02353	0.5
101.06009	0.4
111.00784	49.1
111.04449	1.2
114.32655	0.2
115.00265	6.9
129.01813	100.0
139.00237	59.1
147.02866	4.7
147.06534	0.3
147.81593	0.3
157.01294	24.2
175.02382	1.1
191.69934	0.3
209.09088	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1792
Annotation	Senedigitalene
Peak:m/z	Relative Intensity
52.96314	2.8
54.81027	3.9
55.05503	31.6
56.68691	3.0
57.07069	3.8
67.05492	38.7
69.07049	23.4
78.72179	3.8
79.05470	21.8
81.07035	81.2
83.08614	14.2
91.05464	17.1
93.07017	72.4
95.08581	100.0
97.10123	9.0
105.07023	20.1
107.08572	69.4
109.10123	51.8
121.10102	45.1
131.08571	6.2
133.10107	14.3
135.11682	63.2
149.13228	14.8
173.13225	5.7
177.94530	4.1
191.14290	6.0
191.17920	46.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	0.7
54.75020	0.6
55.01857	1.8
55.05490	5.2
57.03410	1.2
67.05490	9.8
69.03403	4.0
69.07057	5.8
71.04956	1.2
75.27451	0.6
79.05474	15.9
81.03410	0.9
81.07027	8.6
83.04955	3.5
88.60038	0.7
91.05460	31.9
92.09328	0.9
93.07020	15.7
93.60827	0.8
95.04932	5.0
95.08603	7.5
97.06516	1.5
103.05424	2.9
105.07007	27.3
107.04952	6.7
107.08578	23.0
109.06472	6.5
109.10144	1.5
115.05439	2.9
116.06184	3.7
117.07004	13.6
119.08560	19.6
121.06483	8.1
121.10123	9.5
123.08028	1.3
124.90687	0.8
128.06207	0.9
129.06981	12.0
130.07764	5.8
131.08540	100.0
133.06485	0.8
133.10092	9.0
135.04356	0.8
135.08041	6.7
135.11653	1.8
143.08521	7.4
144.09270	1.4
145.06421	4.1
145.10097	41.1
147.08015	10.1
147.11644	7.4
149.06006	1.3
149.09601	10.8
155.08530	4.6
158.10910	5.2
161.13202	6.1
163.07497	9.7
163.11122	3.3
163.14760	6.6
173.09593	13.2
173.13211	10.6
191.03333	1.5
191.10612	37.3
191.14259	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	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
54.52915	1.7
54.53172	1.7
54.82059	2.0
55.01849	4.5
55.05491	8.4
56.96550	9.6
57.07059	2.7
62.25241	2.0
67.05481	8.9
69.03413	10.5
69.07049	40.1
71.60935	1.8
72.08978	1.8
74.29575	2.2
78.68566	2.1
79.05460	13.7
81.03371	2.4
81.07011	10.7
83.04962	2.5
91.05463	22.3
93.07020	30.5
95.04922	7.8
95.08586	5.3
97.06490	4.4
102.19054	2.1
105.07005	37.9
107.04968	3.4
107.08577	33.2
109.06525	2.4
109.10128	3.0
117.06981	9.0
119.08571	20.3
121.06474	20.1
121.10104	29.6
121.25774	2.6
131.08528	19.2
133.10085	43.3
135.08025	19.4
135.11617	4.6
143.08549	2.6
145.10114	13.0
147.11653	46.1
149.09584	11.9
149.13234	15.4
158.10905	4.1
161.09612	5.3
167.02328	2.9
173.13202	22.3
191.06857	2.5
191.14270	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1427
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.34576	2.3
54.57646	2.5
55.05493	15.7
58.44800	2.7
67.05492	7.4
69.03393	4.4
69.07028	13.5
79.05473	23.9
81.07024	18.3
91.05466	81.7
93.07041	24.1
95.04984	3.5
95.08577	5.3
99.93956	3.1
103.05442	5.0
105.07010	100.0
107.04928	3.5
107.08572	52.8
108.44516	3.2
115.05402	13.9
116.06178	6.2
117.06996	31.9
119.08558	67.4
121.06445	3.1
121.10119	49.5
123.08026	6.3
128.06178	12.0
129.06992	33.7
130.07771	5.2
131.07788	3.2
131.08559	55.9
132.09354	3.2
133.10118	33.2
135.08000	12.9
143.08545	71.2
144.09314	14.4
145.10118	47.6
147.11671	22.1
149.09613	5.3
149.13213	22.0
158.10881	36.8
158.58659	3.0
173.13222	35.5
191.14273	40.8
200.03787	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81705	1.1
55.05508	1.7
57.07085	1.2
59.90265	0.8
60.59951	0.9
62.80350	0.8
62.82612	0.9
67.05476	1.2
68.67250	1.1
69.03416	6.7
69.07053	1.5
75.97231	0.9
79.05470	8.5
81.07038	2.5
83.04969	1.8
85.06506	0.9
91.05451	7.2
93.07017	6.3
95.08575	1.3
99.37190	1.0
101.72963	0.9
105.07018	16.1
107.04942	4.1
107.08571	18.8
109.06473	1.5
109.10136	5.5
115.05470	1.0
117.06966	1.4
119.08537	4.1
121.10128	16.6
122.07256	2.2
131.08566	6.3
133.10107	100.0
135.08041	5.5
135.11642	1.2
137.09607	17.6
145.10146	1.6
147.32976	1.2
149.13217	6.2
158.10878	2.2
173.13228	5.8
191.14313	9.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.00267	1.1
55.05502	3.2
56.96550	2.7
67.05486	2.3
69.07063	2.4
79.05487	11.2
81.07030	9.5
91.05465	23.7
93.07034	10.2
95.08576	6.4
103.05448	1.7
105.07010	65.3
107.08572	9.5
109.06491	2.5
115.05424	2.7
116.06200	5.9
117.06998	17.1
119.08548	28.0
121.10133	2.8
128.06236	1.8
129.06993	17.4
130.07761	7.7
131.08542	100.0
133.10106	14.8
135.08008	1.7
143.08542	21.6
144.09280	13.8
145.10101	68.1
147.11664	33.3
149.13226	7.4
158.10863	19.6
160.12421	1.5
173.13219	70.3
191.14281	35.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.143
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05511	14.2
56.96575	15.6
57.03405	2.0
59.04969	3.4
64.33424	1.7
67.05495	11.6
69.07054	37.2
71.04977	2.0
76.54022	2.0
79.05479	29.6
81.07040	70.5
81.29756	1.8
83.04962	2.2
83.08605	2.9
91.05461	27.9
93.07027	60.6
95.04961	7.9
95.08588	29.0
98.97572	3.0
103.05434	3.5
105.07014	45.8
107.04908	2.0
107.08588	97.4
109.06479	18.7
109.10155	10.2
113.62287	1.9
115.05434	4.2
117.06985	10.9
119.08553	32.2
121.06487	8.0
121.10135	45.2
123.08044	3.1
129.06952	2.9
131.00139	3.8
131.08543	29.2
133.10106	35.0
135.08000	11.6
135.11682	16.5
143.08583	3.8
145.10107	10.6
147.11638	15.5
148.05228	2.3
149.01178	8.9
149.09570	2.0
149.13281	3.3
152.21315	1.9
158.10876	4.3
161.13217	2.0
163.14795	100.0
167.02267	4.9
173.05984	2.3
173.09575	2.3
173.13277	19.7
191.07007	4.5
191.10622	2.5
191.14297	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
50.18192	1.1
53.03945	1.5
55.05500	6.6
56.96565	1.8
57.03431	5.7
57.07059	1.6
66.62282	1.2
67.05482	6.9
69.07052	10.5
71.04977	3.2
74.57712	1.3
74.58381	1.4
79.05466	8.3
81.07051	9.5
85.06531	2.4
91.05450	20.5
92.08713	1.9
93.07029	14.5
95.04939	1.6
95.08588	12.4
97.06515	3.1
105.06354	3.2
105.07019	56.0
107.08575	43.7
109.06528	8.2
109.10133	8.5
115.05435	2.7
117.06997	5.6
119.08561	28.5
121.06457	5.3
121.10126	25.6
123.08041	3.1
129.06989	5.7
130.07693	2.8
131.08539	39.9
133.10106	100.0
135.07999	10.9
135.11696	2.7
143.08511	10.4
144.09280	3.5
145.10118	24.5
147.11642	10.4
149.09610	2.5
149.13229	26.4
158.10864	16.9
163.11108	2.1
163.14815	7.8
173.13210	49.7
191.14247	29.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05501	2.4
57.07057	1.7
65.03925	1.4
67.05495	3.6
69.07045	11.6
71.04996	1.4
79.05474	14.5
80.00351	1.4
80.15503	1.2
81.07045	7.6
83.08613	2.9
91.05462	22.7
93.07038	14.8
95.04939	2.4
95.08606	6.3
97.06527	2.2
105.07014	33.9
107.08586	100.0
109.06509	3.0
109.10146	1.6
117.06997	3.6
119.08561	44.4
121.06525	2.6
121.10143	31.1
123.08038	2.1
129.06975	3.6
131.08542	31.0
133.10118	47.2
135.08064	3.4
135.11682	10.7
143.08594	7.3
144.09300	3.0
145.10106	19.6
147.11679	7.7
149.13226	11.4
158.10876	14.3
161.09584	2.0
163.14772	13.7
173.13223	50.0
191.14268	52.1
191.15892	2.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
52.70864	2.0
55.01866	3.4
55.05504	5.6
56.96557	34.1
57.03411	3.7
57.07070	2.9
65.56595	2.4
67.05493	15.9
69.03407	5.2
69.07061	13.3
71.04974	13.7
72.93774	5.5
73.02892	2.6
79.05475	15.8
81.03395	16.8
81.07041	11.5
83.04964	3.7
83.08597	4.2
85.02893	3.5
85.06550	4.8
90.94835	4.2
91.05448	42.1
93.07011	20.3
95.04959	10.1
95.08592	18.9
97.06518	3.4
98.97556	16.7
103.05450	2.8
105.07017	65.5
107.04931	17.6
107.08571	60.4
109.06475	6.2
109.10155	5.1
111.08046	4.7
115.05431	3.8
116.98609	6.5
117.06999	17.6
118.96682	3.0
119.08552	66.2
121.06466	5.1
121.10138	17.9
122.03073	10.8
127.07423	2.5
129.06992	16.2
131.08545	72.7
133.10106	90.5
135.08037	12.0
143.08516	24.2
144.09325	14.8
145.10112	57.3
146.06021	13.6
147.11659	30.5
149.01207	15.1
149.13248	14.0
149.96117	3.3
150.96840	10.3
155.10686	3.6
158.10909	28.8
160.63435	2.9
167.02284	10.4
173.13220	100.0
176.05887	4.0
187.02722	3.3
191.03386	5.2
191.14282	47.5
202.67378	2.4
214.03801	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	191.1429
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
54.81811	0.9
55.05504	1.5
55.45493	0.7
67.05470	3.3
69.03414	6.0
69.07025	0.9
71.48104	0.8
79.05458	3.9
81.07021	4.3
91.05446	5.4
93.06998	3.6
95.08617	1.0
105.07010	11.9
107.08574	16.0
109.06487	1.4
109.09305	0.7
109.10126	4.9
115.05444	1.0
119.08536	3.4
121.10105	15.3
122.07247	5.0
131.08524	4.8
131.38394	0.8
133.10101	100.0
135.08032	3.4
135.11609	1.1
137.09590	19.4
137.10593	1.5
143.08516	1.3
145.10075	1.0
149.13196	8.4
158.10878	1.9
163.14772	1.0
173.13222	6.1
191.14288	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	191.1429
Annotation	Unknow
Peak:m/z	Relative Intensity
51.81371	1.6
53.03936	2.6
54.56363	1.8
55.05517	4.4
56.96286	2.9
56.96558	80.7
57.03412	11.7
61.02906	13.5
65.03925	2.0
67.05499	20.0
69.03418	30.4
69.07038	13.3
71.04972	4.7
71.47274	1.6
72.19579	2.2
72.93772	2.3
73.02903	14.8
74.97565	5.0
79.05472	9.9
81.03388	11.5
81.07026	7.8
83.60483	1.7
83.97598	2.1
85.02895	31.6
87.04440	7.5
90.94811	4.2
91.04962	2.0
91.05461	18.8
93.07017	13.5
94.06525	2.3
94.54411	1.9
95.04958	15.7
95.08571	11.0
97.02888	16.7
97.06520	2.6
98.97577	26.3
99.04455	2.3
105.06355	3.4
105.07011	53.9
107.08595	22.4
109.06503	4.9
109.10138	8.7
110.97504	4.4
112.07599	7.9
116.98585	13.5
117.06991	2.7
119.08559	23.0
121.02812	8.9
121.10114	19.1
122.05994	4.9
123.08078	3.0
123.11674	3.2
127.03880	3.5
128.98557	10.8
131.00140	4.7
131.08539	34.0
132.95782	3.0
133.10107	100.0
134.99585	3.2
135.08035	8.1
140.07051	8.4
143.00159	3.5
143.08540	13.0
144.09351	2.8
145.10101	22.7
146.99666	9.1
147.11668	11.5
149.01181	12.8
149.09538	3.0
149.13231	24.3
150.96861	4.6
158.10910	19.0
161.01198	3.2
167.02196	4.6
169.01691	5.0
173.13223	48.3
178.01700	2.3
179.54428	2.3
184.96631	2.3
187.02776	28.3
188.54874	24.3
189.05174	2.5
191.14256	28.9
196.02806	17.4
205.03827	13.9
213.00714	4.5
214.03804	55.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03917	1.5
54.81634	1.5
55.01855	2.5
55.05489	10.5
57.03407	1.3
57.07058	2.7
58.25473	1.3
65.03873	1.7
67.05484	8.0
69.03413	81.4
69.07053	20.1
71.04964	2.5
79.05480	12.8
79.20385	1.5
81.03385	1.7
81.07031	3.8
83.04968	24.8
83.08612	1.8
91.05469	20.4
92.08634	1.6
93.07014	20.3
95.04916	6.1
95.08573	8.7
96.79951	1.7
97.06480	2.7
105.07005	18.5
107.04932	2.0
107.07875	2.1
107.08569	45.4
109.06464	8.5
109.10132	2.5
115.05414	1.9
117.07034	5.7
119.08556	16.6
121.06470	14.0
121.10113	21.6
123.08018	3.6
129.06963	2.8
131.08530	22.8
133.10101	39.1
135.08005	29.6
135.11652	6.8
136.08760	2.1
137.09602	3.0
140.63324	1.5
143.08563	11.6
145.10133	12.3
147.08087	1.8
147.11671	19.5
149.09602	8.9
149.13220	8.2
158.10872	14.7
161.09586	15.0
163.14818	2.4
173.13231	23.2
191.14272	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1428
Annotation	2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-dien
Peak:m/z	Relative Intensity
55.05478	11.8
56.96540	10.6
57.07058	4.4
59.04950	2.6
62.04497	2.3
66.17038	2.7
67.05480	14.7
69.03397	12.5
69.07068	23.3
71.04961	4.1
76.56310	2.2
79.05470	26.8
81.07031	30.5
83.04953	15.1
83.08590	6.4
83.44067	2.8
91.05453	30.9
92.09324	3.2
93.07021	51.7
95.04943	6.0
95.08593	38.3
96.92249	3.0
97.06486	11.1
97.71117	2.2
105.07004	52.3
107.04930	22.4
107.08569	100.0
109.06490	16.9
109.10135	16.3
111.08056	3.8
117.06957	5.4
119.08538	27.9
119.42584	2.5
121.06481	58.0
121.10122	86.9
122.64011	2.7
123.08015	20.1
131.08557	49.5
133.10100	45.8
135.08041	30.9
135.11641	5.9
144.09372	3.3
145.10091	16.2
147.11630	26.8
148.08833	2.7
149.01221	4.3
149.09595	36.9
149.13214	21.4
158.10808	5.8
163.11139	5.3
163.14755	17.0
173.13225	34.0
191.14250	88.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	191.1064
Annotation	2,6-Dimethyldeca-2,4,6,8-tetraenedial
Peak:m/z	Relative Intensity
53.03927	1.1
55.01851	1.1
55.05494	4.5
56.96550	6.2
57.03435	1.0
67.05505	7.1
69.03403	5.4
69.07038	4.4
69.81184	0.8
71.04958	1.8
72.93775	1.0
74.15901	0.9
74.97573	0.8
79.05458	5.6
81.03383	1.2
81.07039	9.2
82.64240	0.8
83.04997	1.0
83.08595	0.9
85.06526	1.5
91.05459	29.7
93.07011	8.9
95.04952	2.1
95.08573	6.5
97.02874	1.0
97.06477	1.1
98.97564	3.5
102.43721	1.0
103.05402	1.3
105.03399	1.4
105.07012	31.5
107.04898	2.1
107.08585	12.5
109.06493	1.8
109.10125	3.8
111.04381	0.9
111.08956	1.0
115.05393	1.1
116.06218	3.7
117.06998	14.5
119.08552	16.4
121.02708	1.0
121.06483	3.9
121.10094	5.2
123.08035	1.3
128.06200	1.3
129.06976	7.9
130.07776	11.4
131.00122	1.0
131.08540	100.0
133.06500	1.4
133.10101	18.8
135.08032	16.0
135.11679	4.6
140.73520	1.2
143.08540	5.0
144.57974	0.8
145.06503	1.1
145.10097	48.0
147.07933	1.7
147.11671	9.9
149.01198	4.9
149.05975	1.8
149.09604	6.6
149.13168	1.5
150.96880	0.9
155.08615	1.6
158.07213	7.4
158.10890	1.9
161.05957	4.6
161.09543	0.9
163.07521	1.3
163.11150	14.9
167.02240	1.5
167.97185	1.3
173.09587	16.9
173.13211	7.6
176.08279	16.1
178.10283	0.8
189.45410	0.8
191.08134	1.4
191.10628	48.0
191.14236	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	190.1259
Annotation	EPTC
Peak:m/z	Relative Intensity
50.99072	1.1
56.96542	1.0
57.07066	34.5
59.99092	5.6
62.99035	0.4
73.93989	0.4
78.00132	51.6
83.57737	0.4
84.08126	0.7
86.09682	8.7
90.12769	0.5
92.01673	1.8
111.03825	0.5
119.65093	0.5
134.06325	46.1
135.67429	0.5
148.07912	2.2
149.02341	0.5
163.07361	0.5
168.27046	0.5
190.12563	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1636
Annotation	(R)-1-Methyl-4-(1-methyl-5-hexenyl)-benzene
Peak:m/z	Relative Intensity
55.05490	21.5
56.96545	7.2
60.45979	3.2
64.33103	3.6
65.31641	2.7
67.01123	2.9
67.05479	6.5
69.07058	5.0
78.54319	3.7
79.05460	14.2
81.07033	81.0
83.08612	6.1
83.91304	3.1
91.05447	24.5
91.18898	3.3
93.07015	20.0
95.08584	47.0
105.07005	85.0
106.96533	15.7
107.08563	17.9
109.10136	13.8
111.03800	6.2
111.04473	6.3
119.08557	100.0
121.10094	6.8
124.97562	6.2
125.01951	3.7
133.05176	6.9
133.10098	66.5
142.98610	17.1
145.10100	7.9
146.04134	4.3
146.10931	3.5
147.04807	3.3
147.11684	27.4
149.02397	4.9
161.13130	8.2
162.52132	4.2
171.20505	3.5
189.13850	6.7
189.16328	75.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1483
Annotation	Unknow
Peak:m/z	Relative Intensity
50.10411	1.1
53.03917	1.8
55.01859	1.3
55.05499	26.6
56.96553	9.7
57.03419	2.9
57.07059	9.8
59.04981	8.3
67.05492	28.5
67.79481	1.3
69.03409	6.5
69.07048	100.0
71.04977	9.9
72.93769	8.7
79.05466	17.8
81.07030	43.4
83.04958	7.3
83.08598	15.3
84.04509	2.7
85.02847	2.1
85.04813	2.4
85.06516	8.0
91.05434	15.3
93.07014	84.3
95.04953	3.4
95.08571	64.3
97.06504	21.0
98.97591	2.1
101.05963	1.5
105.07014	11.7
107.04947	16.8
107.08568	86.2
109.10139	56.2
111.04444	2.6
111.08059	3.1
113.02557	3.3
113.96368	7.4
115.05424	2.4
115.07571	1.4
116.98648	1.6
119.08570	2.5
122.03028	7.1
123.11672	22.3
128.06180	14.2
129.06989	14.3
131.04915	2.3
131.97408	8.1
132.05690	1.6
133.02806	1.6
133.06468	2.4
135.11658	52.9
143.08524	18.5
145.06435	2.4
147.07930	1.6
149.05957	1.8
153.06941	2.1
153.12715	27.9
161.06062	1.8
171.04277	1.5
171.08029	1.8
171.13800	3.5
177.05502	1.4
189.09120	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	189.1272
Annotation	Unknow
Peak:m/z	Relative Intensity
52.90287	5.7
53.41985	4.6
55.05499	23.2
56.52983	4.9
56.96550	7.3
57.03421	5.4
59.04961	6.0
59.65057	5.6
64.66895	6.1
67.05478	7.8
69.03419	13.6
69.07041	8.1
69.32828	6.3
71.04983	8.4
79.05505	6.8
81.07037	70.9
82.23719	5.9
83.04984	11.2
85.06522	9.6
91.05470	30.0
92.08672	7.6
92.64200	7.4
93.07023	13.1
93.62814	6.9
95.08544	8.4
95.92690	5.5
99.08061	38.1
105.07015	40.7
107.08580	12.6
117.07018	33.4
119.08531	38.0
128.06198	7.5
128.13747	6.2
129.07007	7.5
130.07774	9.8
131.08504	11.2
133.05322	7.1
133.06369	10.9
135.90646	7.3
143.08543	23.6
145.10127	34.4
146.04166	8.0
147.11644	36.7
156.09302	73.0
159.08002	9.4
160.05127	9.1
161.06053	9.0
171.11678	54.7
174.07870	11.7
174.10312	8.0
189.10197	28.2
189.12663	100.0
189.13910	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	189.0393
Annotation	(E)-2-(Methoxycarbonylmethyl)butenedioate
Peak:m/z	Relative Intensity
51.45122	2.4
53.29913	2.8
54.81837	3.6
55.01862	92.2
55.05504	4.6
57.03427	85.3
59.04976	7.3
61.02916	4.0
63.13466	2.5
65.55193	2.8
65.75106	2.5
68.99770	19.0
70.06577	2.7
71.00974	4.3
71.01337	80.2
71.04966	5.0
72.08115	13.8
73.02890	22.4
75.04462	5.1
75.76130	2.7
83.01318	23.1
84.04475	4.2
84.08121	34.3
85.02873	14.2
87.00782	3.5
87.04442	49.7
89.02370	4.0
95.01275	4.7
97.02876	7.4
97.06517	3.9
101.02348	100.0
103.03907	4.0
104.48900	2.9
111.00803	29.0
113.02349	5.8
115.03900	75.8
126.09123	14.6
129.01810	39.9
130.18999	3.0
137.22778	2.8
139.00237	25.9
142.08580	7.2
143.03374	12.0
143.05334	5.7
143.08931	7.1
157.01303	80.0
175.02382	4.1
189.04077	3.3
208.86473	2.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	189.1271
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05480	5.6
58.78324	4.5
59.68480	4.9
61.62464	4.3
69.03391	8.7
79.05473	6.0
81.07071	6.0
91.05433	10.5
92.08694	6.1
93.07007	6.0
100.08582	5.4
105.06990	21.1
119.08550	43.0
133.06534	6.7
141.06915	5.7
143.08530	7.3
145.10094	31.1
147.07956	6.8
147.11691	40.8
156.09302	66.3
159.07973	10.3
159.11627	8.0
171.11629	56.3
173.06323	5.7
174.10397	20.0
185.48019	5.5
189.12679	100.0
208.37268	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	188.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
50.25042	0.2
52.99064	0.2
53.32108	0.2
54.12239	0.2
55.05504	0.6
56.05017	1.8
56.69461	0.2
57.03419	1.4
59.04987	3.3
60.04509	0.7
61.02913	10.9
68.05017	0.3
69.03413	0.6
69.07043	0.3
70.02944	2.3
71.01346	0.3
71.04982	1.5
75.04472	0.3
82.06564	1.9
83.04961	4.3
84.04488	100.0
84.69508	0.3
85.02887	22.3
86.06073	0.3
86.87540	0.3
87.04449	4.8
92.42279	0.3
98.06037	0.5
100.07572	1.2
110.06033	2.3
111.04431	1.1
126.05522	4.1
128.07069	3.4
129.05412	0.6
188.09119	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	188.0916
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.4
54.13891	0.4
55.05490	1.6
56.05019	1.8
57.03420	1.1
59.04985	3.1
60.04512	0.8
61.02913	10.5
62.89909	0.4
67.05511	0.4
69.07040	0.5
70.02931	1.7
71.04984	1.0
75.04453	0.5
76.15190	0.4
76.49855	0.6
81.07033	0.5
82.06568	2.3
83.04971	3.9
84.04486	100.0
85.02888	24.2
86.06069	0.6
87.04442	5.1
91.05445	0.5
92.08727	0.6
95.02747	0.5
96.04494	0.5
96.64029	0.4
98.05988	0.5
100.07591	1.7
105.22079	0.4
110.06033	2.0
111.04411	0.9
117.85675	0.5
123.08160	0.4
126.05498	4.9
128.07054	3.6
133.14868	0.4
170.15369	0.5
188.09149	11.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.128
Annotation	Hyacinthacine A6
Peak:m/z	Relative Intensity
53.03922	1.6
54.85127	1.3
55.01859	2.9
55.05494	15.5
56.05017	3.2
56.96554	16.3
57.03419	9.3
58.06580	1.8
59.04982	1.7
60.04506	25.0
61.02913	2.7
65.03902	2.1
67.05486	49.8
69.03400	4.1
69.07030	7.1
70.02936	2.0
70.06567	15.4
71.04977	11.8
72.04491	7.2
72.08120	2.4
78.83292	1.5
79.05474	19.3
81.03416	2.4
81.07020	16.5
82.06565	7.6
82.07339	1.5
83.04956	14.2
83.08590	6.8
84.04489	41.7
84.08093	2.4
85.02865	10.0
86.09689	7.2
88.07585	2.7
91.05450	7.5
93.07015	20.3
95.04945	2.9
96.08121	2.3
97.02858	2.8
97.06487	16.6
97.10147	1.9
98.97542	3.9
101.05988	9.1
105.07021	1.9
106.08662	2.3
107.08579	22.3
108.08080	7.3
109.06473	1.9
109.10135	100.0
110.09644	12.5
111.04433	13.9
111.08093	1.8
114.05491	2.4
116.98586	3.5
117.06992	1.9
119.01756	1.8
124.07553	2.7
124.11190	18.4
125.05913	1.7
125.09551	3.7
128.07039	2.1
128.10674	7.6
131.50034	1.6
134.09613	15.1
135.07996	9.4
139.03864	15.0
142.08597	6.5
146.91808	6.0
152.10666	39.7
170.11719	38.8
171.06480	3.2
179.02115	1.9
182.94034	1.9
188.09245	3.4
188.11058	2.9
188.12769	39.5
188.16376	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	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
53.03938	2.0
54.40381	1.3
54.82337	1.3
55.05499	3.4
56.74439	1.4
56.96550	1.3
67.05482	7.8
69.07058	20.8
71.04974	25.2
71.92402	1.3
79.05466	21.8
81.07037	100.0
83.04945	5.3
91.05444	3.1
93.06982	3.0
97.06490	7.4
99.08056	5.6
107.08591	13.3
109.10145	19.8
111.08076	1.6
111.11691	7.6
111.90888	1.3
117.57335	1.6
123.11681	15.4
137.84357	1.4
139.11195	6.0
151.11150	7.5
157.12250	2.4
169.12163	3.0
197.59161	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	188.0552
Annotation	(2S,4S)-4-Hydroxy-2,3,4,5-tetrahydrodipicolinate
Peak:m/z	Relative Intensity
51.59076	0.2
53.03937	0.3
53.23544	0.3
54.03465	1.5
54.04015	0.3
55.05515	0.6
56.05025	26.4
56.96547	0.4
57.03421	0.6
57.94945	0.3
59.55611	0.4
59.64557	0.3
59.96557	0.3
60.04509	0.5
66.03447	5.6
68.05019	1.5
72.08141	0.5
81.07021	0.4
82.02934	0.4
84.04486	8.3
84.04949	0.5
84.08127	3.7
85.02898	0.5
86.06049	0.8
86.09676	1.6
87.00813	8.9
87.01330	0.3
88.03966	0.6
94.06555	0.4
96.04456	0.5
96.08102	3.1
100.03982	2.7
100.07575	0.4
102.05508	10.9
110.09639	0.4
114.05504	75.9
114.09165	1.3
117.44711	0.3
122.42667	0.3
122.43648	0.3
123.80404	0.4
124.03915	3.4
124.07561	2.1
124.11218	0.4
127.56201	0.3
139.97488	0.3
142.04967	100.0
142.08623	1.9
152.03360	1.6
160.09648	0.8
170.04442	22.9
170.08076	3.1
188.09137	0.7
207.85820	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1328
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.17989	1.0
51.02206	1.1
53.03954	2.6
53.05397	1.1
55.05504	13.9
56.96550	2.7
57.03422	1.4
59.04993	1.8
60.12740	1.3
67.05503	10.4
69.03407	2.0
69.07057	23.1
71.04983	28.9
79.05478	24.9
81.07044	100.0
83.04978	8.1
83.08605	3.2
88.02205	6.3
91.05448	3.0
93.07031	5.6
95.04945	2.8
95.08596	11.9
97.06516	6.7
97.67329	1.7
98.97575	9.1
99.08087	2.4
105.06996	2.4
107.08578	11.6
109.06509	5.5
109.10150	16.8
111.08060	3.5
111.11718	5.4
116.98595	2.5
121.10030	1.6
123.08075	5.9
123.11693	14.7
127.03928	5.9
127.07529	2.7
133.10074	2.0
134.99672	1.8
137.02803	1.7
139.11189	6.6
151.07478	2.2
151.11174	8.9
155.03386	2.8
169.12195	6.9
177.00728	2.0
187.13213	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	186.2215
Annotation	Unknow
Peak:m/z	Relative Intensity
56.58096	1.6
56.96552	3.7
57.07067	100.0
69.44898	1.9
70.48151	1.9
71.08611	31.4
76.56184	1.9
81.03453	1.8
83.08613	2.1
85.10173	14.6
102.96844	3.3
112.07529	2.1
120.97903	4.6
121.01653	9.1
123.01198	1.8
139.02692	3.2
140.07034	2.0
172.86938	2.0
181.02756	3.2
186.18489	11.4
186.22160	43.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.0213
Annotation	Unknow
Peak:m/z	Relative Intensity
53.65210	2.1
55.05490	2.5
56.05015	4.0
57.03424	3.9
57.75801	2.4
70.06559	2.4
72.88209	2.2
85.67683	2.0
88.02213	4.7
98.06039	3.4
98.98454	12.0
112.99999	100.0
113.00787	3.5
140.99454	2.9
142.08600	3.0
160.48407	2.2
187.02083	35.9
187.07919	2.7
202.38686	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	187.0211
Annotation	Unknow
Peak:m/z	Relative Intensity
51.38728	3.4
53.52897	3.5
56.05022	5.0
57.03415	4.9
71.56842	3.7
73.97187	3.5
74.58332	3.5
76.56039	4.1
82.06570	5.8
83.08590	3.6
88.02197	10.1
98.98434	28.9
112.99991	100.0
126.36776	4.2
140.99362	7.2
187.02106	77.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	187.1326
Annotation	(3S)-6-Hydroxy-3-isopropenyl-heptanoate
Peak:m/z	Relative Intensity
50.35169	1.2
53.03937	2.4
54.81149	1.6
55.05487	10.9
56.96535	1.9
58.63065	1.3
59.04986	1.9
67.05481	9.6
67.21764	1.3
69.03394	1.4
69.07051	21.2
71.04967	25.6
79.05472	21.1
81.07033	100.0
83.04954	7.1
88.02178	1.5
91.05450	1.7
93.07008	8.3
95.08569	6.8
97.06505	7.8
98.97544	8.7
99.08076	5.9
105.07004	5.9
107.08598	13.5
109.06487	2.2
109.10131	21.0
111.08096	2.4
111.11710	6.8
112.01595	2.4
116.98582	2.6
121.10069	1.7
123.11694	16.4
127.03868	12.0
133.10095	2.1
139.11176	7.8
151.11136	10.0
155.03378	6.4
157.12201	3.4
158.99664	1.3
169.12169	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	186.076
Annotation	Unknow
Peak:m/z	Relative Intensity
52.10094	1.0
53.03761	0.9
53.03934	13.5
55.01857	6.7
55.05494	13.7
56.05024	100.0
56.96555	2.0
57.03427	2.9
60.04515	12.5
61.24113	1.1
69.60349	1.1
70.06570	29.1
72.04494	2.7
74.06045	2.6
78.09550	1.1
80.04995	6.8
81.03393	39.2
82.06571	4.7
83.04964	4.7
84.08091	1.5
86.09712	1.2
96.08109	6.7
98.06026	53.5
99.04433	2.1
104.96956	1.1
109.02911	1.4
110.07150	8.9
112.07564	10.1
116.07062	15.1
121.01671	2.5
126.05490	32.0
127.03876	12.7
140.07034	5.5
140.10629	1.4
143.49178	1.2
144.05434	2.5
144.06531	51.3
154.61365	1.1
156.07700	2.5
167.25894	1.5
183.48834	1.4
186.07576	29.0
186.11197	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	186.076
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	12.8
55.01860	7.4
55.05514	11.7
56.05029	100.0
56.73100	1.0
57.03426	2.0
60.04515	11.8
65.82597	0.9
67.58319	1.1
68.05025	1.7
70.06576	30.0
70.87517	1.0
72.04472	1.2
79.05460	1.5
80.04993	8.1
81.03400	43.4
82.02914	1.6
82.06582	1.6
82.15455	1.1
83.04961	6.1
91.37357	1.1
91.81258	1.1
94.06564	7.8
96.04466	2.3
96.08099	7.8
98.06035	47.6
99.04436	1.4
101.02311	1.1
104.10739	5.1
109.02872	1.5
112.07577	12.4
116.07053	13.4
122.06012	1.5
126.05499	26.7
127.03882	16.3
138.05521	2.2
140.07065	6.6
144.06540	47.9
145.74127	1.1
158.08075	4.0
168.06616	1.2
186.07593	26.5
186.11241	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	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.90189	1.2
55.01860	1.1
55.05500	13.1
55.05719	1.3
56.96539	1.6
57.03426	3.0
57.07062	2.4
59.04995	10.0
60.95825	2.7
67.05491	13.5
69.03402	7.8
69.07045	12.5
71.04972	26.6
79.05466	27.3
81.07036	59.8
83.04969	13.1
85.02892	3.4
85.06519	5.9
91.05453	9.1
92.66740	1.3
93.06485	2.0
93.07018	29.3
95.04951	14.5
95.08583	20.8
97.06509	16.9
99.04419	2.1
102.96841	14.3
105.07005	10.6
107.04930	2.8
107.08568	24.5
109.06506	10.2
111.08093	2.3
119.01886	2.4
119.08524	1.6
120.02005	6.9
120.97861	14.5
121.00780	6.2
121.01627	5.1
121.06500	2.7
121.10115	100.0
123.08046	6.5
123.11697	17.1
125.05955	18.7
125.09592	9.9
138.03087	2.9
138.98906	8.2
139.01805	13.7
139.07451	1.7
139.11159	32.4
144.03223	1.6
149.09596	10.2
163.01773	12.5
167.06934	1.8
167.10634	16.7
181.02797	20.5
185.11761	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	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
50.89400	0.6
53.00290	0.9
53.03936	1.4
55.01869	1.0
55.05513	5.8
56.96559	1.0
57.03432	2.0
57.07061	4.1
59.04987	8.4
62.79557	0.9
67.05495	11.5
69.03416	1.3
69.07052	5.6
71.04982	5.0
73.02906	1.4
79.05479	36.5
81.07038	66.2
82.42499	0.7
83.04993	1.6
83.08604	1.3
91.05458	8.3
93.07022	36.5
95.04945	4.1
95.08587	29.5
97.06516	11.1
102.96834	7.9
103.05413	1.1
105.07008	24.4
106.07816	1.4
107.04952	3.4
107.08586	11.7
109.06488	4.0
109.10139	1.4
111.08079	1.6
116.19568	1.0
118.28841	0.7
119.06053	0.9
119.08568	4.8
120.01995	0.9
120.97902	6.1
121.01646	0.9
121.06497	4.3
121.10120	100.0
123.08039	7.0
123.11687	15.6
125.05946	10.0
126.03051	0.9
131.08592	1.1
133.07637	1.5
138.98930	4.7
139.01802	1.8
139.11148	14.1
149.09619	6.0
163.01799	1.4
167.10669	5.3
167.14255	1.1
181.02849	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	185.1171
Annotation	Ieodomycin D
Peak:m/z	Relative Intensity
53.00294	0.8
53.03928	0.8
54.81355	0.8
55.01858	1.2
55.05495	4.8
57.03403	1.0
57.07060	3.4
59.04988	10.2
62.38457	0.7
67.05487	9.1
69.03408	1.7
69.07040	5.4
71.04967	7.3
74.77847	0.6
79.05468	35.2
80.43774	0.8
81.07035	68.8
83.04950	1.2
83.08573	1.0
85.06484	1.8
91.05444	9.1
93.07018	36.3
95.04938	3.9
95.08578	26.4
97.06499	7.5
99.08040	0.9
102.96826	7.6
103.05451	1.5
105.07007	24.4
106.07846	1.9
107.04932	3.6
107.08581	10.4
109.06490	3.0
111.04407	1.0
111.08077	1.7
119.01887	1.2
119.08510	4.2
120.02012	1.0
120.97864	7.0
121.00755	1.6
121.06492	3.3
121.10114	100.0
123.08031	6.6
123.11681	14.9
124.01931	0.7
125.05948	8.6
125.06783	1.3
125.09550	1.0
129.06966	1.0
133.07571	1.9
133.74924	0.9
135.30151	0.8
138.98914	5.5
139.01785	4.0
139.11145	12.7
149.09570	5.6
149.63887	0.8
167.10620	4.3
167.14323	0.9
181.02800	3.4
185.11748	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	183.0651
Annotation	3,4-Dihydroxyphenylpropanoate
Peak:m/z	Relative Intensity
51.02358	0.2
51.96458	0.1
53.03934	0.8
55.01849	0.1
55.05495	0.2
57.03426	0.1
65.03911	0.4
67.05503	0.1
69.03429	0.7
70.01627	0.1
71.00912	0.1
71.05006	0.1
77.03894	0.4
79.01836	0.4
79.05476	1.5
81.07037	0.8
83.04944	0.2
85.02866	0.1
91.05446	0.2
92.02588	1.0
93.03428	0.1
94.04134	0.8
95.04946	2.2
100.26353	0.1
105.03393	0.7
105.04492	0.7
107.01272	0.7
107.04939	0.4
109.06502	3.4
109.64784	0.1
111.04385	0.1
119.01900	0.1
122.03620	8.2
125.05964	2.0
135.03358	0.1
135.04378	3.0
135.05502	0.7
137.05939	1.0
150.03088	1.2
153.62694	0.1
165.05434	100.0
166.05779	0.5
168.04129	3.5
183.06485	1.1
189.94188	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	181.1221
Annotation	3-tert-Butyl-5-methylcatechol
Peak:m/z	Relative Intensity
53.52062	2.7
55.05503	3.3
56.96559	3.7
57.07068	39.3
59.04980	3.1
66.14191	3.5
67.37212	2.6
72.92094	3.7
79.05466	19.6
81.03396	7.8
81.07056	4.4
83.04965	87.7
93.07008	7.7
95.04945	29.4
97.06513	49.3
98.97559	36.0
105.06992	3.7
107.04967	3.5
107.08556	6.7
116.98651	25.9
121.10101	5.3
125.05979	100.0
134.99690	27.8
145.10110	6.3
147.39194	3.2
163.11153	54.6
176.13322	3.2
181.12195	27.0
190.30774	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	182.0659
Annotation	Unknow
Peak:m/z	Relative Intensity
50.37662	1.3
55.01871	3.2
55.05487	1.7
57.03426	8.1
60.46485	1.5
69.03421	3.6
75.68494	1.5
83.01318	22.5
83.04981	3.0
85.02889	9.3
92.09294	3.3
101.02358	100.0
101.05991	30.3
119.03404	9.9
119.04868	1.6
129.01816	91.4
131.90968	1.6
134.19052	1.6
136.07527	2.1
141.21896	1.7
147.02861	69.0
147.06693	1.8
147.09436	1.8
165.03925	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	182.081
Annotation	DL-o-Tyrosine
Peak:m/z	Relative Intensity
52.04964	0.3
53.58806	0.4
54.81270	0.4
56.96562	2.8
69.03432	0.5
73.02901	0.4
76.28107	0.4
78.31116	0.4
85.02885	0.5
90.55014	0.5
91.05459	14.4
92.08772	0.6
94.04063	0.4
95.04950	5.6
97.02873	0.4
98.97556	2.1
99.97916	0.5
103.05415	0.4
105.29482	0.4
108.04527	0.5
108.08093	7.8
116.17342	0.4
116.98611	1.0
118.06528	2.2
119.04908	14.0
121.05045	0.4
121.06480	0.5
123.04385	16.9
127.03899	0.7
132.42047	0.5
135.61455	0.4
136.07545	100.0
137.04552	0.4
138.51125	0.4
147.03232	0.9
147.04387	5.5
164.05621	10.4
164.07028	6.1
165.05447	6.9
182.06682	1.9
182.08076	24.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0492
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
54.35936	0.3
55.05503	0.3
56.24651	0.3
56.96551	14.9
57.35533	0.2
58.35099	0.2
65.03925	0.5
65.40852	0.3
69.03432	0.3
71.94847	0.4
71.95241	1.6
79.05463	2.3
81.03382	0.4
85.02911	0.4
88.98190	0.3
89.03888	13.5
91.05417	0.6
95.04954	0.4
98.97552	100.0
107.04938	5.0
107.23626	0.3
111.04424	2.0
115.12392	0.3
115.62243	0.3
116.98589	90.9
117.03345	17.5
134.99623	52.7
135.04378	31.5
139.03868	0.7
140.00171	1.6
145.01675	0.6
145.02817	15.8
151.19203	0.3
153.00682	9.5
158.01201	3.8
163.03857	64.7
176.02266	1.2
181.02879	0.6
181.04912	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	181.0493
Annotation	cis-2,4-Dihydroxycinnamic acid
Peak:m/z	Relative Intensity
53.03941	0.4
53.51245	0.2
56.91383	0.2
56.96275	0.5
56.96553	13.1
65.03924	0.5
65.37894	0.2
67.05474	0.3
69.03400	0.4
69.07074	0.3
71.95240	1.8
79.05467	3.0
81.03394	0.4
85.02891	0.5
89.03889	17.1
91.05425	1.1
92.09249	0.4
95.04944	1.4
97.18510	0.3
98.97556	100.0
102.96828	0.5
107.04929	4.8
107.08554	0.4
111.04417	0.7
116.98591	86.2
117.03347	19.5
119.04964	0.4
119.72675	0.3
121.02855	0.4
134.99626	54.2
135.04379	40.5
137.05925	0.7
139.03865	0.4
140.00150	2.3
145.02823	20.4
153.00671	10.6
156.25995	0.3
158.01221	4.9
163.03860	74.7
176.02318	0.7
181.04968	1.5
181.90204	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.1018
Annotation	Unknow
Peak:m/z	Relative Intensity
51.33507	0.2
51.84517	0.2
53.31352	0.2
56.96564	2.3
56.96816	0.3
57.07056	0.3
57.69954	0.2
58.02593	0.2
61.02907	0.2
69.03385	0.4
71.36412	0.2
72.34602	0.2
85.02891	1.7
85.11198	0.2
85.53570	0.2
89.03913	0.2
89.06004	0.3
91.05463	1.3
92.05817	0.2
92.09336	0.2
93.07013	2.3
95.04942	0.2
97.02862	0.4
97.19487	0.2
98.97560	13.6
103.05446	8.8
103.14885	0.2
106.07347	0.3
116.98598	13.1
118.06516	0.4
120.08080	100.0
121.06489	5.1
121.08401	0.3
127.03891	0.5
131.04922	0.5
134.10431	0.3
134.99628	7.7
135.04413	1.1
147.07574	0.3
153.00690	1.3
158.01268	0.5
158.70306	0.3
162.09940	0.9
163.03854	1.0
180.03680	4.0
180.10124	1.7
180.11113	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.1065
Annotation	1-Hydroxy-5-phenyl-3-pentanone
Peak:m/z	Relative Intensity
50.32618	0.5
53.03920	0.7
55.01858	1.2
55.05492	3.6
56.96548	1.8
58.76017	0.6
67.05488	1.5
69.03395	3.4
78.11838	0.7
79.05489	5.1
81.07038	7.3
83.50569	0.7
88.26731	0.7
89.64798	0.8
91.05462	13.8
93.07018	4.0
95.04933	1.7
95.08562	3.6
98.97559	0.8
103.05466	1.3
105.03355	1.5
105.07008	35.4
107.04915	1.2
107.08591	1.7
109.06474	1.8
109.10164	5.6
115.05444	3.0
117.07017	4.0
118.07806	1.3
119.04908	0.8
119.08558	3.2
120.08089	7.8
121.06440	3.7
123.04414	1.4
123.08077	1.1
123.11678	10.0
128.06198	9.5
131.04868	6.3
131.08543	4.3
133.02826	1.7
133.06477	3.1
133.10103	17.6
134.43820	0.8
135.08031	3.1
136.08824	6.0
137.05963	1.1
137.09607	10.4
140.09561	0.7
143.08524	5.3
145.06476	4.2
146.07240	28.5
151.11169	9.5
161.02332	1.1
161.05914	5.1
161.09587	37.4
164.08319	6.0
179.03358	24.5
179.10637	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	180.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
51.85221	0.5
51.86061	0.6
53.03926	1.7
54.22717	0.5
55.01863	19.1
55.05513	1.3
56.96559	1.6
57.03426	19.2
59.04992	1.1
61.02917	6.6
64.33189	0.6
69.03415	59.6
69.07048	1.2
70.03719	0.7
70.06564	0.7
71.04972	4.4
72.08140	0.9
73.02895	10.0
81.03403	5.0
83.04987	1.2
84.04497	4.3
84.05287	1.0
84.08125	2.6
85.02887	100.0
87.04469	2.6
91.03953	0.6
96.04466	14.2
97.02865	36.6
97.03490	1.4
99.04432	13.7
101.02354	14.9
103.03945	0.7
109.02863	3.8
112.04790	0.7
115.03902	6.0
117.05473	0.7
127.03893	65.1
134.06032	0.8
145.03827	1.3
145.04939	28.6
155.77353	0.7
162.06599	1.0
162.09061	0.8
163.06007	3.2
167.51393	0.7
180.06519	4.5
180.10243	3.1
181.47023	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	179.0337
Annotation	Esculetin
Peak:m/z	Relative Intensity
52.49414	0.2
60.93716	0.3
67.01835	1.8
68.99778	3.5
71.01313	0.5
73.19975	0.2
74.00569	0.2
74.06249	0.3
81.03380	0.3
83.58332	0.2
84.44790	0.2
91.01786	0.3
95.01295	0.4
98.51437	0.3
99.29843	0.2
105.03396	1.0
109.02859	0.4
111.04433	2.3
121.45819	0.2
123.04373	0.6
127.03937	0.5
133.02808	2.4
137.02330	1.7
155.03380	3.0
161.02287	0.6
179.03357	100.0
180.03673	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.112
Annotation	Unknow
Peak:m/z	Relative Intensity
53.44178	3.7
54.81857	3.1
55.05514	34.0
56.96552	8.3
57.03427	62.6
57.07052	3.5
59.04988	5.1
59.54581	3.6
61.11637	3.0
69.03400	16.4
69.07063	4.2
71.04971	45.3
71.08611	74.1
74.82243	4.0
76.15971	4.1
79.05463	17.9
81.03403	36.7
81.07046	56.8
83.04947	17.4
85.02887	6.6
85.06520	9.7
88.02276	4.0
89.03895	9.9
91.05466	5.5
93.07011	18.8
95.04890	5.1
95.08639	4.4
98.97565	54.2
99.08065	49.1
105.06994	7.2
107.08572	19.4
109.02850	5.2
109.06506	18.4
116.98596	59.6
117.03359	18.5
117.06962	4.3
117.09098	100.0
119.08651	5.4
121.02849	7.6
121.06493	20.1
121.10099	5.2
123.08041	27.0
131.08516	8.4
133.10133	7.1
134.99643	38.3
135.08022	7.2
135.11613	6.1
141.09087	5.6
144.09311	6.7
145.02831	18.1
148.11226	3.9
149.05965	5.5
153.00700	7.1
159.11670	26.6
161.07562	4.2
177.05284	5.0
177.12701	63.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.0393
Annotation	2-Hydroxy-3-oxoadipate
Peak:m/z	Relative Intensity
53.03930	1.9
55.01867	4.4
56.96552	1.8
57.03428	22.7
59.04986	1.6
61.02917	0.8
63.89465	0.6
66.81222	0.7
67.01850	8.5
67.05492	3.8
68.05013	1.5
68.99759	1.4
69.03419	39.0
69.05349	1.4
71.04984	3.6
72.53374	0.8
73.02898	4.2
75.04460	1.2
75.30427	0.7
77.57725	0.8
81.03402	19.2
83.01323	4.9
85.02890	46.8
87.04448	7.9
92.01254	1.0
95.01308	100.0
95.04941	1.9
97.02854	10.7
98.97549	0.9
101.02361	1.5
109.02863	4.4
111.00780	10.6
112.03941	1.1
113.02345	13.4
113.04263	3.2
113.06000	5.2
115.03901	1.4
129.01801	14.8
141.01830	15.2
159.04739	0.9
167.04591	0.8
177.03912	1.1
180.59270	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	177.007
Annotation	Unknow
Peak:m/z	Relative Intensity
53.37544	0.5
56.28627	0.5
56.96556	20.3
64.33633	0.5
68.05001	1.0
69.05331	0.7
71.95245	2.1
97.96747	0.7
98.97561	100.0
100.02496	1.0
106.00253	1.4
108.50549	0.8
110.99459	0.9
112.03955	2.9
113.04259	2.0
116.98599	66.6
117.51088	1.3
117.98933	0.7
118.51017	0.6
118.92025	1.1
119.01906	0.5
119.99996	2.4
129.98466	0.8
131.50787	1.3
133.50496	2.6
134.98604	1.0
134.99640	28.8
135.03136	0.8
136.93080	4.3
137.99669	2.4
140.12346	0.6
140.51338	0.6
146.36902	0.6
151.00021	3.2
151.50021	0.6
153.00705	4.8
153.50238	1.4
154.94150	8.5
156.01450	0.6
159.99165	0.7
160.00476	1.0
162.50792	2.7
163.00737	0.6
164.96289	0.6
172.95224	9.5
174.02518	0.8
177.00671	1.2
177.04201	0.9
190.96249	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	176.0553
Annotation	2-Amino-3-oxoadipate
Peak:m/z	Relative Intensity
53.03946	0.8
53.37572	0.3
55.01858	2.3
55.05502	0.5
56.05033	3.9
57.03429	0.9
58.06583	1.9
58.73177	0.4
60.05614	0.9
66.03447	4.0
67.05494	0.7
67.12850	0.4
68.05014	62.3
69.03411	2.6
70.02931	4.9
70.06572	7.8
71.04977	4.9
71.06905	0.5
73.66671	0.4
76.03997	0.7
81.03381	0.8
84.04488	30.0
84.08140	3.1
84.41717	0.4
85.02882	3.5
85.06498	0.5
86.06040	0.8
87.04427	1.9
88.03981	2.0
88.07607	1.1
90.05499	0.4
94.02903	15.6
94.06543	1.8
95.01315	0.5
96.04456	7.1
97.02859	2.0
98.06030	3.6
100.03954	0.6
112.03949	100.0
112.07589	6.0
113.02368	4.6
113.07893	0.5
114.05508	2.7
116.03410	0.8
116.07067	1.1
118.03725	0.4
128.03397	1.0
130.02222	0.5
130.04977	17.2
130.08626	4.6
130.09680	1.5
130.12244	1.1
140.03406	14.9
140.04495	0.7
140.07039	2.0
158.04462	11.9
158.08101	1.9
176.05508	7.7
176.09030	4.4
176.10469	0.9
176.12770	0.9
180.73549	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05486	7.9
57.07055	1.6
65.63447	1.2
67.05488	1.7
69.07047	20.0
79.05463	6.0
80.30502	1.4
81.07027	11.1
83.08601	5.5
88.02210	1.7
91.05447	16.5
93.07014	7.8
95.08608	11.4
98.97550	1.7
105.07017	34.4
107.08541	6.4
117.06951	2.3
119.08553	100.0
121.10104	2.4
129.06961	1.5
131.08548	5.7
133.10098	99.1
134.99602	1.8
145.10138	12.2
147.11662	16.2
151.97115	2.2
160.12471	6.4
165.81186	1.5
175.13307	3.3
175.14781	85.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
55.05510	14.3
56.96560	1.4
58.53575	1.3
63.01754	1.3
67.05463	2.0
69.07053	30.7
79.05479	2.7
81.07046	10.0
83.04968	1.7
83.08598	6.1
91.05463	21.7
93.07011	3.5
95.08599	7.2
98.97580	2.9
102.06659	1.8
105.07014	35.4
107.08570	9.6
116.97184	1.8
117.06958	5.0
119.07709	3.6
119.08559	100.0
120.09398	1.4
121.10116	1.6
121.17815	1.8
131.08546	9.3
133.10114	75.7
133.11139	2.6
134.99644	2.8
145.10123	11.5
147.11699	14.3
160.12459	6.0
175.07512	3.1
175.14798	89.1
185.43820	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1479
Annotation	Ionene
Peak:m/z	Relative Intensity
54.81813	1.1
55.05498	15.7
67.05489	2.6
69.07063	18.6
77.59023	1.3
79.05479	7.1
81.07037	20.2
83.08595	2.7
91.05464	21.9
93.07016	10.5
95.08589	16.5
103.05386	2.1
105.07017	75.9
107.08597	13.0
110.01167	1.3
117.07007	5.0
119.08559	100.0
121.10141	1.9
131.08513	12.2
133.10109	52.2
145.10129	6.5
146.10892	7.0
147.11678	14.9
173.13199	1.7
175.14792	85.6
175.73940	1.3
190.07881	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	175.1481
Annotation	Unknow
Peak:m/z	Relative Intensity
52.15953	1.6
52.43924	1.8
52.68103	1.5
55.05505	13.0
61.25334	1.7
67.05487	2.8
68.74097	1.5
69.07060	25.7
79.05465	3.1
81.07031	10.2
83.08605	4.2
85.76501	1.6
88.02192	2.5
89.35625	1.8
91.05460	17.4
93.07026	8.5
95.08594	9.3
98.97546	4.1
105.07011	45.1
107.08572	8.7
115.05465	2.6
116.98576	3.1
117.06993	4.3
119.08561	98.6
121.10185	2.3
126.06728	1.7
131.08553	3.2
133.03481	2.0
133.10104	88.4
134.99590	3.7
135.02115	1.8
142.07735	2.1
145.10115	9.6
147.08017	7.9
147.11671	17.8
150.96893	3.2
151.93637	2.2
160.05173	2.1
160.12454	7.4
175.07477	3.5
175.11113	3.4
175.13390	3.3
175.14786	100.0
194.45950	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	175.148
Annotation	Ionene
Peak:m/z	Relative Intensity
51.38447	0.7
52.75144	0.7
55.05309	0.7
55.05505	10.5
56.96543	0.9
62.81956	0.7
64.17615	0.8
67.05473	1.7
68.28767	0.8
69.06721	1.3
69.07055	15.7
71.78365	0.7
79.05470	3.4
81.07031	12.8
83.08593	1.8
84.20034	0.7
88.93978	0.8
91.05464	13.3
93.07011	6.5
95.08575	8.5
98.72408	0.8
98.97543	3.8
103.05410	0.8
105.07009	30.4
107.08561	5.2
109.30839	0.9
109.83196	1.0
116.98550	1.8
117.06982	4.1
119.08553	66.1
121.10119	1.7
129.06934	1.4
130.03232	1.0
131.08516	4.9
133.10098	100.0
134.99614	1.0
142.07689	1.1
145.10081	5.0
147.11609	9.1
151.96992	1.1
160.12366	1.5
173.13252	1.8
175.03781	1.1
175.14780	65.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.0761
Annotation	N-Acetyl-L-glutamate 5-semialdehyde
Peak:m/z	Relative Intensity
53.29554	0.3
55.05506	8.4
56.05021	0.5
56.96558	5.5
57.03427	0.5
58.06578	0.6
60.04505	0.8
60.05644	0.5
68.05014	4.1
68.99776	0.9
69.03413	1.7
70.06202	0.4
70.06577	9.8
71.01315	0.7
71.04967	2.1
72.04494	0.4
74.02454	0.6
81.99971	2.1
82.02896	1.4
82.06561	53.0
83.01321	0.5
83.04958	0.6
84.04472	2.0
84.05251	0.4
84.08130	0.5
85.02886	2.3
86.06049	19.9
86.09648	0.4
86.97041	0.4
91.00490	7.8
96.08086	0.5
97.02866	0.6
100.01012	3.2
100.07578	2.6
100.99121	0.8
104.01250	0.7
105.00214	2.6
110.02372	0.6
110.06054	1.7
110.09641	3.3
111.04429	0.4
114.00748	7.5
114.05511	27.1
115.03899	0.8
117.00202	0.6
126.00730	1.7
128.03398	4.4
128.07051	100.0
128.10677	6.6
129.01823	0.4
132.06540	6.1
132.08066	0.7
135.28912	0.4
140.00423	0.5
150.96915	0.8
156.06564	1.8
156.10173	2.2
173.98424	0.5
174.03973	2.0
174.07529	14.1
174.08661	1.4
174.11226	3.1
174.12770	1.9
190.98607	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	174.076
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05500	9.0
56.96558	3.3
57.03411	0.6
59.04987	0.6
60.04511	1.5
60.05632	0.6
68.05012	2.6
68.99771	0.7
69.03411	2.0
70.06574	12.8
71.01347	0.4
71.04973	0.9
77.17268	0.4
81.99967	0.5
82.02905	0.4
82.06563	54.7
83.01321	0.4
83.04954	1.5
84.04479	1.8
85.02881	1.6
86.06052	16.7
86.09650	0.7
91.00494	2.6
97.02836	0.7
100.00999	0.6
100.03930	0.4
100.07583	3.5
105.00232	0.6
110.06006	1.5
110.09655	5.7
114.00735	3.1
114.05513	32.3
115.03890	0.8
117.00226	0.5
118.01036	0.4
118.06516	0.5
128.03423	2.2
128.07056	100.0
128.10683	9.6
132.06563	5.2
132.08054	0.9
132.95860	0.5
140.00476	0.6
150.96895	0.7
156.06526	1.5
156.10181	1.9
162.99136	0.5
173.98547	0.4
174.04028	1.6
174.07533	13.0
174.08679	1.4
174.11221	4.7
174.12752	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	172.0966
Annotation	Unknow
Peak:m/z	Relative Intensity
51.76553	0.7
54.47913	0.7
55.05499	3.8
56.05029	1.9
56.36198	0.7
56.96554	1.7
57.03397	0.9
58.66302	0.7
59.17216	0.7
62.55782	0.7
67.05499	1.2
67.96635	0.8
70.06538	1.7
71.07372	1.3
72.04501	1.3
72.93761	1.1
73.02901	4.4
77.47324	0.8
82.06535	0.9
84.08125	100.0
85.06514	0.9
92.08685	1.5
98.97569	5.1
110.06050	1.8
112.07568	1.7
116.98597	1.3
126.01042	0.8
126.09123	15.3
127.01363	1.4
127.08618	1.3
144.10181	16.5
148.97327	1.8
154.02155	5.1
154.08598	1.4
155.11797	4.1
172.09683	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	173.1285
Annotation	Unknow
Peak:m/z	Relative Intensity
52.21806	0.7
53.03930	0.9
53.78158	0.7
54.45470	0.6
54.49825	0.6
55.01883	0.8
55.05504	14.9
55.93521	0.8
55.94218	0.6
56.96541	1.4
57.03420	1.1
59.04977	4.0
59.06113	1.0
67.05479	1.5
69.07058	13.6
69.96141	0.7
70.95845	12.6
71.01328	1.5
71.04978	1.5
71.06095	4.9
72.93778	31.0
73.02889	1.8
73.06517	3.5
79.05467	1.1
81.03390	3.5
81.07030	3.3
83.04976	15.2
85.02898	12.7
85.06524	1.2
85.07644	1.4
86.09693	100.0
88.96864	3.3
90.90347	4.9
90.94803	17.1
91.05428	1.0
95.01289	1.0
95.04945	0.8
97.06510	6.2
98.97554	4.3
99.00778	4.0
101.06001	8.6
108.95856	8.2
109.06449	1.7
111.04430	12.0
111.98440	8.5
113.02348	11.9
113.05991	4.8
113.96337	1.5
115.07545	1.8
116.98565	1.1
127.07546	2.9
127.12302	23.0
129.05435	5.0
129.99458	4.3
131.08508	0.9
131.96124	4.3
131.97365	4.4
132.10155	5.4
132.95810	19.6
134.99591	0.8
137.05952	1.0
139.12253	0.9
149.94019	3.6
149.96286	5.7
149.97157	7.0
149.98283	1.1
150.95682	1.7
150.96873	41.6
155.07039	9.0
155.11789	1.0
155.97382	4.7
156.10161	3.1
159.02864	4.6
167.97147	8.7
168.97903	1.0
173.08086	14.8
173.12828	57.9
173.98460	9.2
182.18442	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1378
Annotation	(-)-p-Menth-1-ene-7,8-diol
Peak:m/z	Relative Intensity
51.83448	1.2
53.00282	6.9
53.03922	1.8
55.05260	2.0
55.05501	31.8
57.03407	1.6
57.07060	2.1
59.04977	5.8
62.87955	1.2
64.33096	1.5
67.05486	5.7
69.07050	29.5
71.04972	40.5
72.04120	2.4
72.04497	57.1
73.02869	1.6
73.06534	18.0
79.05473	29.9
81.07032	100.0
83.08602	24.4
84.04489	1.8
89.07128	34.0
91.05444	10.0
93.07017	42.3
95.04942	1.8
95.08553	8.9
97.06493	9.3
105.04492	1.9
105.06985	3.6
107.08585	30.3
109.10135	10.5
111.08045	2.2
119.08541	1.9
135.11668	33.8
153.12712	25.4
171.05432	1.9
171.14909	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	172.0604
Annotation	5-Amino-5-deoxy-3-dehydroshikimate
Peak:m/z	Relative Intensity
53.03938	2.3
54.04291	0.5
55.05503	1.3
56.05031	1.3
60.44675	0.4
63.71588	0.5
66.03456	13.7
67.01860	4.0
68.05016	100.0
68.99765	0.5
69.03407	0.6
70.06583	0.6
72.04503	1.0
72.33074	0.5
80.05022	1.1
81.03407	0.9
82.02906	0.6
82.06560	1.0
83.07352	0.6
84.04485	22.0
84.08132	3.2
85.02895	1.0
92.63770	0.6
94.02905	19.0
96.04458	8.7
98.06019	6.6
98.98470	0.9
99.04431	12.1
103.13271	0.6
108.04511	1.0
108.08056	0.6
110.06087	0.7
112.03951	34.9
121.54953	0.6
125.04718	1.2
126.05510	10.3
126.06457	1.0
126.09127	17.2
127.03909	9.2
127.04899	1.4
130.04915	0.6
131.03488	0.6
135.69221	0.5
140.03400	94.9
154.04987	2.6
155.03416	0.6
172.06007	3.0
172.09662	2.7
172.13306	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.065
Annotation	3,4-Dihydroxyphenylethyleneglycol
Peak:m/z	Relative Intensity
55.01868	3.8
55.05498	4.6
62.19299	0.5
65.03927	30.5
67.05492	1.6
68.99776	11.9
69.03407	1.5
72.04509	2.9
77.42226	0.8
80.32285	0.6
81.03404	5.5
83.04970	11.6
89.07158	0.9
93.03383	9.3
95.04926	0.8
96.02066	1.2
97.02885	0.8
111.04426	100.0
121.02962	0.9
121.03944	9.9
132.51819	0.7
139.03880	92.8
171.06491	7.3
171.14923	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1379
Annotation	(6E)-8-Hydroxygeraniol
Peak:m/z	Relative Intensity
50.34919	1.2
53.00239	1.3
53.03923	2.1
55.01867	13.3
55.05263	2.7
55.05504	43.7
56.96558	7.1
57.03428	76.4
57.07058	3.5
59.04990	2.0
60.56965	1.3
61.57298	1.5
64.33185	1.6
65.03937	1.8
67.05492	59.6
69.03405	3.4
69.07055	54.4
69.07442	1.5
71.04978	23.8
72.04500	58.5
73.06525	3.5
79.05484	22.1
81.07037	39.0
83.04982	14.3
83.08601	40.9
85.06540	8.0
89.07138	34.7
91.05461	6.7
92.09354	3.3
93.07020	19.0
95.04947	6.4
95.08578	27.1
97.02850	1.9
97.06517	12.5
99.08063	1.7
105.06981	2.2
105.16730	2.0
107.01318	1.9
107.08576	44.0
109.06483	2.8
109.09384	3.8
109.10136	100.0
111.04436	7.0
111.08047	18.5
117.07040	2.5
125.09618	14.9
127.11176	23.3
135.08028	3.5
135.11664	15.8
141.12683	2.6
143.10609	3.0
148.97389	3.7
153.09132	8.7
153.12692	16.4
171.10106	6.8
171.11557	2.0
171.13615	3.1
171.14894	38.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	171.1378
Annotation	2-(4-Methyl-3-pentenyl)-2-butene-1,4-diol
Peak:m/z	Relative Intensity
54.81890	1.1
55.01870	18.7
55.05263	1.7
55.05503	25.9
57.03428	73.0
57.07055	1.6
59.04960	1.4
61.35568	1.1
63.39197	1.3
67.05492	44.8
67.78739	1.0
68.96339	1.3
69.03407	1.1
69.07053	67.6
71.04978	4.4
72.04497	25.9
73.06535	1.8
75.75819	1.0
79.05463	5.2
81.07034	21.6
83.04961	6.5
83.08598	28.4
85.06529	2.5
89.07146	13.4
91.05445	1.8
93.07017	6.6
95.04896	1.3
95.08584	4.9
97.06517	11.5
107.08575	8.1
109.10139	100.0
111.08078	13.7
125.09585	1.5
127.11169	27.7
127.33701	1.3
135.11693	2.5
153.09087	1.9
153.12727	10.5
171.13705	4.0
171.14922	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	171.0287
Annotation	Gallate
Peak:m/z	Relative Intensity
53.03943	8.8
54.39594	1.0
54.81674	1.3
55.01861	12.7
55.05499	9.3
56.59594	1.0
56.96564	1.5
57.05360	1.2
65.03912	1.9
67.05484	1.6
68.05025	1.3
68.99761	1.5
69.03409	8.9
69.90376	1.1
70.06560	3.1
72.04497	22.4
79.01820	9.9
79.05462	9.6
81.03395	86.1
83.01360	1.3
83.04958	7.2
83.08614	5.3
84.08135	1.7
85.49877	1.4
89.07142	14.6
92.03972	1.5
97.02853	8.7
97.06499	10.9
107.01293	90.3
107.04939	7.5
109.02859	100.0
111.00768	1.9
111.04418	21.8
114.05518	2.7
115.05846	6.2
125.02321	60.4
125.05981	10.0
125.10691	2.0
127.03888	70.3
135.00737	7.3
135.04411	1.7
137.03452	1.5
139.00235	2.6
139.03868	14.9
143.03436	1.9
143.05319	7.4
153.01799	82.8
153.05469	5.0
171.02827	35.8
171.06413	1.6
171.14920	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	171.0287
Annotation	Gallate
Peak:m/z	Relative Intensity
51.02362	0.5
53.00281	0.3
53.03930	0.6
55.01854	1.7
55.05299	0.3
55.05507	3.8
56.96551	0.3
61.97683	0.3
65.03928	5.9
67.05493	0.5
68.99771	4.0
69.03405	1.5
69.07050	1.3
70.06585	0.4
72.04126	0.4
72.04502	9.4
72.08119	0.3
76.08856	0.4
79.01837	9.3
79.05458	1.4
81.03394	1.7
81.07030	0.6
82.98830	0.3
83.01321	0.5
83.04961	3.6
83.08612	2.3
87.59768	0.3
88.95282	0.4
89.07131	5.7
93.03384	1.6
95.04926	0.5
97.02878	5.0
97.04879	0.4
97.06504	1.1
98.97545	0.6
100.30434	0.3
107.01286	3.1
107.04935	0.5
107.08549	0.6
111.00803	2.6
111.04433	19.4
112.01574	0.6
115.05424	0.4
116.92655	0.3
121.02880	0.3
121.03975	1.6
123.57781	0.3
125.02332	12.1
125.05952	0.6
126.01048	5.6
139.00244	1.4
139.03885	17.7
143.03323	1.1
153.01810	100.0
154.02097	0.4
171.02840	7.9
171.06537	2.0
171.14870	5.1
183.35793	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	170.081
Annotation	Unknow
Peak:m/z	Relative Intensity
52.16136	0.6
53.03924	1.2
53.22995	0.6
55.05505	9.8
56.05025	1.7
56.96552	1.7
57.03428	3.4
57.07066	1.2
58.20344	0.9
59.04982	1.7
65.03909	1.7
67.05482	1.3
69.03411	3.5
69.07053	11.4
70.06571	1.0
71.04963	3.3
71.08624	1.0
74.02413	4.9
79.05472	29.2
81.05779	7.4
81.07036	82.2
83.04971	1.1
84.04491	1.2
85.06519	5.7
92.04957	1.0
94.06532	1.0
94.58233	1.0
95.04977	1.3
96.08104	34.3
98.06036	1.2
98.09670	49.4
103.83284	0.8
104.64112	0.9
106.06519	4.0
109.05817	1.5
109.06501	34.5
112.04745	2.0
124.07564	100.0
127.07516	18.0
127.90147	0.7
128.95090	1.1
137.02243	1.1
138.02654	8.4
142.08617	13.6
152.04283	1.1
152.06984	1.7
159.40404	0.8
170.08115	15.0
170.09511	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	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.00288	0.4
53.03934	0.3
55.05503	3.6
56.36956	0.3
56.96560	0.7
57.03413	0.7
57.07067	4.5
59.04981	0.8
67.05491	10.9
69.03403	0.8
69.07053	30.1
71.04967	2.4
79.05486	3.6
81.03391	0.4
81.07037	55.6
83.04971	0.7
83.08578	0.7
88.51002	0.3
91.05448	0.6
92.63483	0.3
93.07021	1.4
95.04948	3.9
95.08579	9.9
105.07008	0.9
107.08587	2.5
109.06493	3.2
109.10142	10.6
111.03838	0.6
111.08067	0.8
113.06010	0.8
121.10130	0.9
123.11684	100.0
124.12041	0.6
127.73715	0.3
133.10091	0.6
141.05434	0.8
151.03889	1.5
151.11183	5.7
169.04884	0.5
169.12213	5.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.1222
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
51.20292	3.5
51.70593	3.7
55.01870	5.1
55.05485	27.0
56.96544	29.0
57.07046	6.5
59.60443	4.5
61.35954	4.4
63.48738	3.9
67.05491	55.2
69.07053	41.7
71.04966	50.6
73.93083	4.1
77.51418	4.3
79.05446	20.2
81.02347	5.3
81.03397	4.2
81.07035	100.0
83.04960	10.2
88.44469	4.2
91.05439	18.5
93.07015	17.5
95.04946	18.7
95.08576	24.1
97.06480	4.8
97.45956	4.6
105.07015	9.7
107.08570	31.7
108.78732	5.3
109.06483	11.3
109.10143	80.6
111.08053	29.0
121.54981	4.3
123.08058	10.0
123.11677	66.2
133.10049	19.7
141.05438	19.4
146.87593	4.4
151.03870	28.6
151.07498	27.6
151.11127	24.2
166.75902	5.0
169.04918	18.8
169.12212	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	169.1222
Annotation	(6E)-8-Oxogeraniol
Peak:m/z	Relative Intensity
50.71578	1.9
50.94019	1.9
53.00284	2.9
53.03928	3.8
54.27768	1.9
55.01863	3.2
55.05505	25.8
56.96547	11.6
57.03438	8.9
57.07059	5.0
59.04976	2.3
59.84819	1.8
60.11753	2.2
65.03920	5.1
67.05494	39.2
68.41156	2.0
68.99775	9.4
69.03406	8.6
69.07051	48.6
71.04976	37.9
72.66683	2.1
74.94495	2.1
79.05481	19.5
81.03391	16.9
81.06551	3.4
81.07036	99.6
83.04965	13.7
83.08572	4.2
85.02875	4.2
85.06519	12.0
89.69545	2.1
91.05443	9.4
92.63594	2.2
93.07034	16.6
95.04943	22.3
95.08586	28.9
97.06529	9.1
105.07023	21.7
107.08575	24.0
108.02036	2.4
108.62087	2.8
109.02868	38.6
109.06491	20.8
109.10118	32.4
111.00788	27.3
111.04430	12.7
111.08054	14.7
113.05925	2.6
116.57918	2.3
121.81342	2.1
123.04411	17.3
123.08030	13.0
123.11655	41.8
126.03113	41.8
127.03855	3.3
133.10129	10.9
137.02353	2.5
141.05440	100.0
151.03899	95.3
151.07483	4.7
151.11139	11.0
152.26981	2.3
154.02609	5.1
163.97615	3.1
169.04927	57.7
169.12219	14.1
181.98819	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	169.1221
Annotation	(Z)-Isogeranic acid
Peak:m/z	Relative Intensity
53.03929	0.4
53.72886	0.4
55.05487	2.4
57.03427	0.5
57.07066	5.0
59.04970	0.8
67.05486	8.9
67.66213	0.4
69.07049	20.5
70.34632	0.4
71.04958	0.7
79.05474	3.8
81.07033	45.4
81.97286	0.4
83.08591	0.6
85.06522	0.6
91.05502	0.4
91.81649	0.4
93.07027	0.7
95.04941	2.4
95.08584	10.6
105.07019	0.6
107.08582	2.9
109.06503	2.5
109.10138	9.4
121.10143	1.5
123.11674	100.0
124.12059	0.6
133.10124	0.6
134.87817	0.4
151.11133	7.7
153.09021	0.8
169.12212	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	169.0494
Annotation	4-Hydroxymethylsalicylate
Peak:m/z	Relative Intensity
55.01846	0.2
57.95072	0.1
64.26620	0.2
65.03922	2.3
67.05485	0.8
67.32024	0.1
68.99773	1.8
74.53138	0.1
75.04533	0.1
80.10347	0.2
95.04939	1.7
97.27598	0.2
105.03374	0.2
108.02079	6.4
111.04420	2.1
121.02841	1.5
121.03947	0.8
123.04399	0.7
136.01520	1.0
151.03877	100.0
152.04221	0.2
154.02580	2.1
169.04959	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	4-Hydroxymethylsalicylate
Peak:m/z	Relative Intensity
53.55850	0.1
61.95724	0.2
63.61752	0.1
65.03926	2.3
67.05482	1.0
67.10955	0.1
68.99779	1.7
72.72015	0.1
76.58850	0.1
93.03376	0.2
95.04958	2.0
105.03374	0.1
108.01366	0.3
108.02080	5.7
111.04427	2.2
121.02845	1.4
121.03967	0.7
123.04401	1.1
127.16638	0.2
136.01529	0.9
151.03880	100.0
152.04201	0.7
154.02597	2.0
169.04897	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	4-Hydroxymethylsalicylate
Peak:m/z	Relative Intensity
51.39328	0.1
54.99662	0.1
55.01865	0.2
65.03928	2.0
67.05485	1.0
68.99773	1.5
71.04951	0.2
75.80013	0.1
81.07037	0.3
82.07416	0.1
95.04945	1.8
106.01901	0.2
108.02080	6.5
111.04420	1.9
121.02833	1.1
121.03951	0.9
123.04382	0.9
136.01527	1.3
141.05450	0.2
151.03882	100.0
152.04214	0.8
154.02597	2.1
169.04916	1.4
176.75566	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	169.0494
Annotation	4-Hydroxymethylsalicylate
Peak:m/z	Relative Intensity
50.71649	0.1
51.71328	0.1
55.01857	0.2
59.82370	0.2
61.77828	0.2
65.03920	1.9
67.05496	1.3
68.99780	1.5
72.60712	0.2
84.46992	0.2
95.04944	2.2
105.03379	0.2
108.02072	5.8
111.04424	2.4
121.02832	1.1
121.03937	0.9
123.04396	1.1
136.01553	1.2
151.03877	100.0
152.04187	0.9
154.02592	3.0
161.29692	0.2
169.04921	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	169.0494
Annotation	480-66-0
Peak:m/z	Relative Intensity
53.00304	0.8
53.01347	0.6
53.03943	5.7
55.01871	1.0
55.05503	1.5
56.96566	2.5
57.07065	1.3
65.03934	0.8
67.01849	1.2
67.05487	3.9
69.07045	1.3
71.04974	1.2
77.03891	1.4
79.05453	0.8
80.02601	1.1
80.40491	0.7
81.03386	3.5
81.07037	6.4
83.01315	4.0
83.04956	0.7
85.02885	1.1
85.06496	0.8
90.45817	0.6
91.05458	0.6
92.09289	1.3
93.07010	0.9
95.04955	11.3
95.08585	2.7
98.03651	3.3
105.04504	1.0
105.27122	0.7
105.83030	0.6
105.83794	0.7
107.08579	0.9
108.02103	0.8
109.02887	1.4
109.06522	0.7
109.10131	2.9
111.04472	1.1
111.08054	3.4
113.05975	1.1
116.93735	0.6
123.04401	11.8
123.11685	3.1
126.03116	15.2
126.94931	0.6
137.02272	1.2
141.05470	9.1
141.06967	2.8
151.03893	20.1
151.11215	0.8
154.02592	28.6
163.97572	0.8
169.04939	100.0
169.06357	5.0
169.12195	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.143
Annotation	beta-fenchocamphorone
Peak:m/z	Relative Intensity
53.00285	4.5
53.03927	4.0
55.05510	22.8
56.96550	15.6
57.03430	6.1
59.04985	2.9
59.85903	2.7
64.40785	2.5
67.05499	45.2
67.06913	2.8
69.07047	20.3
71.04987	42.1
73.06541	16.0
78.04684	2.9
79.05479	30.5
81.07042	59.5
83.08586	6.9
84.96018	29.4
91.05465	15.5
92.08643	7.1
93.07027	44.1
93.23429	2.8
95.08585	100.0
101.44101	3.4
103.00642	5.6
105.06994	7.6
107.08587	51.4
109.06508	5.4
109.10136	23.4
120.01983	3.7
121.01643	73.2
121.10122	27.8
123.04387	5.5
123.11730	5.7
125.09692	4.0
137.05971	4.9
139.02670	44.4
143.11273	2.7
144.03203	41.0
149.02295	3.5
149.09595	6.8
149.13223	28.9
162.04308	16.9
167.06999	30.7
167.10622	4.8
167.14394	11.3
179.72787	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	Piquerol B
Peak:m/z	Relative Intensity
51.39740	1.2
53.03936	2.0
55.01850	10.5
55.05495	8.5
56.96548	2.2
57.03432	2.5
65.03921	3.3
67.05479	11.9
69.03407	1.9
69.07048	2.2
71.04989	2.7
78.04682	3.5
79.05473	67.7
81.03413	2.7
81.07023	12.0
83.04964	2.6
84.96008	8.3
85.06507	1.3
91.05460	30.6
93.03334	1.6
93.07024	45.9
95.04935	9.2
95.08580	9.3
97.06493	10.4
103.05431	2.0
105.07006	50.6
107.04937	3.5
107.08570	100.0
107.09303	3.4
109.06509	13.3
111.04411	3.3
111.08051	2.3
115.10876	1.9
116.06219	2.2
119.08527	3.5
121.01645	20.4
121.06505	14.1
121.10119	40.6
123.04365	7.0
123.08027	6.4
124.05150	2.9
131.08543	38.9
137.05905	7.5
137.09569	14.5
139.02692	10.7
139.07494	5.7
139.11171	1.8
144.03218	8.2
149.02309	3.1
149.05919	2.8
149.09592	88.5
152.04611	1.7
159.97032	2.0
162.04268	3.8
167.03304	1.9
167.06998	30.0
167.10619	36.5
167.11867	2.0
167.15422	2.0
189.02715	1.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
50.26419	2.4
50.50508	2.0
55.01865	4.6
55.05500	13.7
56.96552	16.2
65.03932	3.7
67.05498	5.6
69.03410	4.7
69.07047	34.4
70.98105	3.7
78.04694	4.6
79.05470	35.6
81.07039	27.1
83.04973	12.4
84.96006	20.9
85.06543	11.3
85.90439	2.3
91.05452	60.3
93.07016	56.9
95.04956	12.9
95.08591	15.0
97.06496	10.5
102.97027	5.1
103.00616	10.6
105.07024	31.5
107.04932	13.0
107.08591	12.8
108.87878	2.5
109.06499	93.5
111.04453	3.7
114.71703	2.6
120.01991	3.4
121.01633	79.9
121.06480	100.0
121.10110	98.1
123.04430	10.4
123.08012	3.2
123.11645	3.7
124.05192	6.5
131.08517	3.5
137.05923	40.1
139.02666	40.0
139.07547	10.3
139.11125	4.0
144.03203	39.1
149.02353	4.3
149.09596	58.4
151.03867	5.2
152.04681	6.0
162.04324	13.0
163.03870	16.9
167.06995	78.9
167.10652	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	167.1065
Annotation	3-Hydroxy-alpha,alpha,4-trimethylbenzyl alcohol
Peak:m/z	Relative Intensity
53.00294	1.8
53.03937	2.8
55.01871	2.0
55.05505	12.7
56.96555	2.9
57.03411	1.7
59.04980	2.1
65.03908	2.5
67.05474	7.4
69.03403	2.6
69.07051	27.4
78.04707	1.4
79.05470	29.0
81.07027	21.9
83.04955	6.6
84.96005	10.1
85.06505	4.6
91.05455	49.5
91.26407	1.2
93.07026	39.5
93.07589	1.8
93.13626	1.2
94.04172	1.6
95.04919	7.1
95.08590	10.1
97.06486	6.3
102.97080	1.4
103.00613	2.4
103.05448	2.8
105.07015	29.1
106.07784	1.7
107.04901	7.7
107.08586	9.0
108.05717	1.4
108.15527	1.2
109.06499	77.9
111.04413	4.6
111.11681	1.9
116.06203	2.5
119.06030	8.4
119.08562	2.9
121.01640	32.9
121.02377	1.3
121.06480	100.0
121.10114	74.4
123.04389	7.2
123.08027	6.3
123.11662	2.3
124.05185	6.6
125.05985	2.6
131.08534	5.6
133.07574	1.7
137.05966	27.8
139.02635	14.3
139.07506	9.2
139.11177	5.2
144.03217	15.9
149.09596	63.3
152.04610	1.6
162.04201	4.8
163.03908	3.0
165.05402	1.5
167.07004	43.8
167.10611	15.0
182.68810	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03932	1.5
55.01860	1.4
55.05509	3.6
57.03432	1.7
59.04990	1.9
63.88103	0.7
67.05493	6.5
69.03413	1.1
69.07056	2.0
73.02885	1.1
79.05473	22.9
81.07037	32.9
83.04980	1.8
87.00286	0.7
91.05453	10.8
93.07022	63.4
95.04956	3.7
95.08577	10.2
97.06506	6.2
103.05450	1.3
105.07004	13.1
107.04918	0.9
107.08573	9.5
109.06520	4.6
111.04456	1.4
119.08571	1.6
121.01672	1.5
121.06505	3.2
121.10118	100.0
123.08060	4.4
123.11687	10.8
125.05972	7.2
131.08554	5.2
133.07602	1.2
135.18544	0.9
139.11134	8.8
144.03264	0.9
149.09605	9.7
167.07005	2.1
167.10646	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	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
51.08912	0.5
53.03915	1.1
55.01852	0.7
55.05486	2.5
57.03410	3.8
57.07042	0.6
59.04970	0.8
67.05488	3.5
69.03404	1.3
69.07038	1.1
69.67377	0.7
71.23256	0.6
72.80513	0.6
73.69736	0.5
75.04457	6.0
79.05470	11.5
81.07033	9.1
83.04946	1.5
83.16362	0.5
84.95994	0.7
85.06490	1.1
91.05454	19.6
92.63461	0.6
93.07018	100.0
95.04954	4.9
95.08575	4.1
97.06530	1.0
105.04478	0.8
105.07008	8.1
107.04917	0.7
107.08569	10.7
109.06497	1.5
111.08054	16.0
114.44718	0.6
116.06225	1.0
119.08562	0.8
121.01642	5.4
121.06477	1.1
121.10117	49.3
123.04427	0.6
123.08054	1.4
123.11657	1.5
125.05918	1.1
131.08560	6.3
139.02698	3.0
139.03732	0.8
139.11147	3.1
144.03223	3.2
149.02345	0.8
149.09619	7.5
162.04210	0.7
163.24606	0.6
167.00124	0.7
167.07008	4.0
167.10583	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	167.1066
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03923	2.6
55.01856	4.1
55.05507	19.1
56.96542	6.9
57.03419	2.4
57.07042	1.8
57.12910	1.4
59.04971	7.5
65.03921	2.0
66.39124	1.5
67.05488	37.5
67.93569	1.6
69.03410	6.5
69.07040	14.6
71.04969	4.1
73.02872	2.3
73.06537	2.1
76.01704	1.5
76.79788	1.7
78.04679	4.1
79.05473	49.8
81.07042	61.2
83.04956	11.5
83.08585	8.6
84.96023	3.6
85.19827	1.5
87.04436	26.1
91.05464	25.7
93.07021	77.2
94.31001	1.6
95.04932	10.6
95.08587	36.8
97.06491	3.3
101.05991	9.5
103.00577	2.5
105.07007	23.9
107.04936	6.7
107.08571	60.1
109.06502	9.6
109.10147	3.6
111.04430	9.2
111.08006	3.0
119.08539	2.2
121.01644	30.9
121.06455	9.1
121.10114	60.0
123.04407	11.0
123.08047	7.2
123.11655	4.2
124.05165	2.9
125.05151	1.7
125.05951	15.8
130.97066	1.9
131.08533	18.8
137.05968	3.1
137.09619	2.4
139.02710	16.4
139.03647	2.1
139.11145	23.0
144.03242	14.9
149.02351	2.6
149.04916	1.8
149.05986	27.3
149.09596	36.0
149.13229	3.8
162.04292	7.4
167.03432	2.7
167.07004	39.3
167.08437	2.6
167.10637	100.0
167.14267	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	167.1065
Annotation	(E)-Lyratic acid
Peak:m/z	Relative Intensity
53.03927	1.4
55.01848	1.1
55.05501	6.4
56.96548	1.4
57.03416	1.7
57.07050	5.7
58.80860	0.7
59.04984	1.2
60.01064	0.7
61.86128	0.6
63.35170	0.7
65.03925	1.0
67.05482	5.5
67.93516	0.6
69.03401	3.0
69.07046	5.3
70.24953	0.7
71.01331	9.9
78.04685	1.7
79.05463	17.9
81.03396	1.1
81.07034	9.1
83.04958	6.9
83.08568	1.4
84.96011	3.8
85.06506	4.2
89.51817	0.7
91.05447	9.0
93.07017	19.4
95.04929	5.1
95.08579	6.8
96.05704	1.1
97.06480	3.1
97.10149	6.1
103.05444	3.8
105.07005	33.0
106.04160	1.0
106.07806	1.4
107.04926	4.0
107.08569	13.8
109.06495	7.2
109.10119	1.4
109.76340	0.7
111.04427	14.0
119.08533	4.5
120.02026	0.7
121.01620	14.3
121.06474	5.8
121.10114	100.0
123.04393	4.8
123.08041	12.1
123.11640	1.6
124.05164	3.0
125.05952	1.2
125.09580	3.2
131.08559	1.7
133.07581	1.5
137.05978	0.9
139.02730	6.5
139.07501	3.6
139.11162	5.3
144.03215	4.7
149.02328	0.9
149.09587	7.4
149.13220	1.3
152.04655	1.5
162.04256	1.6
167.06987	15.2
167.10626	4.8
167.14296	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0701
Annotation	MTHPA
Peak:m/z	Relative Intensity
50.87351	0.5
51.43385	0.5
53.03917	3.3
54.81708	0.7
55.01851	1.0
55.05495	1.3
56.96535	0.9
62.21727	0.6
64.33331	0.7
65.03934	0.9
66.19727	0.5
67.05466	1.1
68.99779	0.8
69.03399	1.0
69.07046	0.7
71.04947	0.8
78.04685	6.3
79.05468	13.9
81.03388	0.9
81.07021	4.6
84.95999	0.8
90.01504	0.8
91.05444	10.0
93.03351	0.6
93.07019	16.1
95.04943	6.3
95.08578	1.0
97.06525	0.8
99.81781	0.5
103.00589	1.0
103.05404	0.8
105.03345	0.7
105.04505	0.9
105.06999	1.3
106.04134	3.5
107.04921	2.8
107.08556	5.0
109.06480	2.7
110.84919	0.6
111.04392	1.2
120.01903	0.6
121.01642	9.3
121.02822	5.5
121.06471	10.9
121.10098	4.0
123.04396	11.9
123.07998	3.4
124.05151	4.1
125.09618	1.2
131.08459	0.9
134.79085	0.6
137.05920	0.8
139.02660	5.4
139.03732	1.6
139.07481	0.8
144.03160	4.5
149.02309	5.9
149.05946	3.4
149.09584	3.1
151.03864	0.9
152.04643	1.1
162.04259	2.6
167.06981	100.0
167.10669	3.6
171.34039	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	Veratraldehyde
Peak:m/z	Relative Intensity
53.03926	1.3
72.85379	0.5
79.05474	8.3
81.07027	4.1
84.65820	0.7
92.02587	1.1
94.04185	4.1
94.53281	0.5
95.04948	5.2
96.05717	1.4
101.79213	0.6
105.03386	0.6
105.04493	0.9
108.05702	3.3
109.02862	0.7
109.06499	24.6
113.38245	0.6
117.38562	0.6
123.04396	0.5
124.04311	0.9
124.05185	18.0
125.05956	3.4
135.05498	0.9
137.05957	100.0
139.07518	27.0
151.03879	10.1
152.04694	4.1
165.05420	7.3
167.07002	79.1
184.63681	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	167.0702
Annotation	3,4'-Dihydroxypropiophenone
Peak:m/z	Relative Intensity
51.58263	0.3
55.01863	1.5
55.05503	0.8
64.33554	0.4
65.03922	1.9
67.05486	0.6
69.07023	0.4
71.01300	0.3
73.02904	6.8
73.87387	0.4
76.04540	0.3
78.04685	2.0
79.05471	1.4
81.07025	0.5
82.05906	0.4
83.04984	0.7
91.05475	1.6
93.07031	1.9
95.04943	3.3
95.08564	0.5
103.05457	0.5
106.04145	0.3
107.04918	0.6
107.08574	1.5
109.02859	0.4
109.06524	0.4
109.10152	0.5
111.04429	3.1
119.04939	3.1
121.02847	100.0
121.06470	4.4
121.10078	1.4
122.03088	0.4
123.04391	3.4
125.09582	0.6
137.06046	0.5
139.03799	0.4
140.24478	0.4
144.03169	0.7
149.02354	0.5
149.05968	18.1
151.03877	0.6
167.03362	0.4
167.07004	15.5
167.10677	0.6
167.14355	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	166.0862
Annotation	DL-Phenylalanine
Peak:m/z	Relative Intensity
68.32007	0.2
76.56367	0.2
79.05469	1.3
80.26000	0.1
91.05458	1.0
93.07018	2.7
97.02861	0.2
98.77332	0.2
103.05450	11.8
107.04926	2.2
120.08082	100.0
121.08441	0.3
131.04924	1.8
149.05943	0.8
166.08582	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	167.0337
Annotation	Terephthalic acid
Peak:m/z	Relative Intensity
55.01866	0.2
55.05502	1.6
56.96552	1.7
57.03403	0.4
57.07051	0.2
65.03915	4.8
67.05509	0.2
69.07026	0.2
77.72957	0.2
79.05467	0.9
81.03376	0.3
81.07001	0.9
83.04954	1.3
83.08587	0.5
84.08110	0.2
84.96002	1.0
93.03371	2.5
93.07005	1.0
95.04920	0.4
98.97548	0.3
103.00603	0.5
103.05416	0.2
107.04954	0.2
107.08549	0.8
109.06480	0.3
111.04431	1.9
111.08076	0.2
120.02033	0.2
121.01642	7.2
121.02827	17.1
121.03927	2.6
121.06438	1.0
121.10139	0.9
122.03014	0.2
123.04382	0.4
123.38007	0.2
137.05968	0.9
139.02678	3.4
139.03841	1.1
144.03195	3.3
149.02312	100.0
149.09531	0.3
150.02664	0.4
158.21786	0.2
159.09003	0.2
162.04250	2.0
163.71385	0.2
166.80234	0.2
167.03362	4.7
167.06999	2.4
167.14272	0.4
181.82774	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0909
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
53.03934	0.9
56.67097	0.6
57.03414	1.0
69.03415	3.4
79.05470	15.8
82.99789	0.7
83.04950	0.7
85.02879	0.7
91.05455	1.4
92.08657	0.8
95.04950	1.5
101.00848	16.8
103.05450	16.3
105.07011	36.8
119.01894	100.0
120.02032	1.4
120.05683	5.6
124.02408	1.5
133.06496	1.7
134.75508	0.7
135.04338	0.8
135.08020	11.4
137.02928	38.4
142.03474	47.1
145.10114	0.6
147.04326	1.0
150.06735	10.2
160.04521	19.8
161.26538	0.8
165.05228	3.2
165.09076	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	165.0908
Annotation	Phenethyl acetate
Peak:m/z	Relative Intensity
50.21304	1.1
53.03917	1.8
55.01856	3.1
56.96555	2.7
61.01580	1.1
62.11620	1.1
64.33457	1.5
65.03905	2.0
67.46162	1.1
68.04629	1.1
68.49776	1.1
69.03410	5.6
79.05134	1.1
79.05473	19.2
81.07001	4.6
82.55856	1.1
83.04939	2.6
85.02885	2.0
91.05450	32.7
92.63862	1.2
93.07037	2.0
95.04939	6.1
95.08555	1.8
101.00832	8.7
103.05441	11.6
105.07007	100.0
109.06477	2.8
111.04408	1.8
119.01891	55.1
119.04906	55.0
119.08527	5.2
122.03634	6.0
123.04408	2.4
124.02446	1.2
124.05167	5.5
133.06458	76.0
137.02942	23.7
137.04872	2.4
137.05949	69.7
142.03481	26.5
147.04384	88.4
160.04529	12.1
165.09061	29.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0908
Annotation	Unknow
Peak:m/z	Relative Intensity
50.87347	0.5
55.01857	1.0
55.05497	4.6
57.03411	1.4
61.02905	0.6
67.05485	4.7
69.03412	5.9
69.07030	2.4
71.04968	1.0
79.05447	2.1
81.07030	4.7
83.04961	3.4
83.08573	1.0
85.02860	2.3
91.05460	4.5
95.04937	56.4
95.08559	2.3
99.04422	0.7
100.02435	0.8
101.00853	12.4
101.02569	0.8
105.06983	4.4
107.08565	5.0
109.06499	8.4
109.10136	5.0
118.03474	0.9
119.01887	100.0
119.04878	4.7
119.08544	7.0
120.01977	0.7
122.07219	3.7
124.02389	2.3
129.05431	0.9
137.02922	49.7
137.05930	1.3
137.09604	9.7
138.02989	0.8
142.03468	49.3
147.04344	7.5
147.08003	0.6
147.11644	4.0
160.04517	24.5
165.05159	3.5
165.07741	1.1
165.09059	24.0
165.12695	25.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0907
Annotation	hinokitiol
Peak:m/z	Relative Intensity
53.03936	0.8
55.05490	4.5
56.19268	0.6
56.96548	0.7
57.03418	1.5
67.05495	17.2
69.03410	5.6
69.07035	0.7
79.05458	2.8
81.03415	1.0
81.07026	6.9
83.04951	6.9
85.02876	1.6
91.05466	8.1
92.09315	2.5
93.06987	1.1
93.16276	0.6
95.04933	1.4
95.08576	0.9
100.02480	1.2
101.00845	14.5
101.02512	0.8
103.03942	0.8
104.06142	0.7
105.06990	1.6
107.04908	2.5
107.08539	0.8
109.06503	0.9
109.10143	15.8
111.04439	0.9
112.32133	0.6
117.09380	0.7
118.03491	0.8
119.01895	100.0
119.04906	4.0
119.08553	14.3
120.01992	0.9
122.07260	12.8
123.08060	0.8
124.02437	2.9
133.06424	0.7
137.02933	46.3
137.05936	1.2
137.08510	1.0
137.09584	36.6
142.03474	51.4
147.04414	7.1
147.08089	0.7
147.52428	0.6
160.04523	24.4
165.09074	86.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	4-Coumaric acid
Peak:m/z	Relative Intensity
50.95083	0.2
53.03929	0.2
53.40560	0.2
53.41059	0.2
54.80904	0.2
55.05510	0.3
56.82313	0.2
57.03419	0.5
61.58761	0.2
65.03917	1.5
68.39359	0.3
69.03397	1.2
69.06998	0.3
81.07047	0.3
83.04956	0.5
85.02898	0.6
91.05451	31.4
92.53812	0.2
93.07006	0.3
95.04933	1.5
95.08585	0.5
101.00848	2.6
103.05444	0.5
105.06964	1.0
119.01898	11.9
119.04908	65.3
119.08533	1.1
122.99356	0.3
123.04402	1.6
125.16141	0.2
137.02933	5.1
142.03450	6.6
147.04376	100.0
147.11627	0.5
160.04527	2.3
162.75073	0.3
165.05426	2.0
165.09013	0.5
177.88457	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0544
Annotation	2-Hydroxycinnamic acid
Peak:m/z	Relative Intensity
50.07543	0.6
51.02382	0.9
53.03933	2.5
55.01859	0.7
55.05490	1.4
61.02901	0.8
65.03922	2.7
69.03412	5.1
79.05459	5.2
81.07022	4.0
83.05007	0.7
85.02897	1.6
91.05464	17.0
92.02598	3.9
93.07024	1.1
94.73951	0.7
95.04950	9.4
95.08545	0.9
101.00843	6.0
105.03364	1.8
105.04494	1.0
105.06998	1.2
107.01281	3.4
107.04948	0.9
107.08601	3.8
109.06509	5.8
115.77084	0.7
119.01902	36.4
119.04914	24.6
119.08562	1.4
122.03624	27.3
123.04443	0.8
125.05953	4.8
135.04407	7.1
135.05338	1.2
137.02924	14.2
142.03468	17.7
147.04384	36.8
147.11681	1.3
150.03055	1.2
160.04547	8.5
165.05440	100.0
165.12697	1.3
168.04109	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	165.0904
Annotation	hinokitiol
Peak:m/z	Relative Intensity
55.05491	3.2
67.05489	24.1
68.97502	2.3
69.03410	5.2
70.45519	2.2
73.21329	2.5
79.39828	2.5
81.07027	3.6
83.75518	2.3
91.05452	8.7
95.04935	2.8
107.04933	2.6
109.10135	16.3
119.01875	28.6
119.08547	18.4
122.07242	22.2
131.34215	2.6
137.02901	18.4
137.09584	45.7
140.17580	3.1
142.03485	13.7
160.04489	4.8
165.09073	100.0
172.66116	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	165.0545
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05489	0.4
57.03411	0.5
58.44007	0.3
64.10188	0.3
65.03915	1.5
67.05482	0.7
69.03399	2.2
69.07030	0.3
71.04989	0.4
79.05442	0.4
81.07021	0.7
81.09068	0.3
85.02912	0.3
91.05459	33.9
92.66846	0.4
93.07010	0.5
95.04922	2.3
95.08572	0.4
98.97544	0.4
101.00873	3.7
105.06996	0.7
109.06471	0.5
111.04356	0.4
117.06788	0.3
119.01899	23.3
119.04916	62.6
119.08542	1.7
123.04411	3.6
123.08035	0.5
124.02391	0.4
137.01949	0.6
137.02937	9.4
137.09633	0.4
142.03477	13.0
147.04385	100.0
151.90410	0.3
153.82661	0.3
160.04575	5.3
165.05429	1.8
165.09143	1.3
168.61234	0.3
180.80814	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	165.0508
Annotation	Unknow
Peak:m/z	Relative Intensity
52.26026	0.3
56.44321	0.2
67.62717	0.3
80.30096	0.3
82.01445	0.4
82.99830	1.4
84.94290	0.3
100.02519	0.4
101.00854	27.8
118.03512	0.4
119.01895	100.0
121.02304	0.4
124.02404	2.1
137.02931	26.2
142.03476	47.4
158.74229	0.3
160.04523	17.7
165.05075	0.4
172.16797	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1481
Annotation	Geijeren
Peak:m/z	Relative Intensity
50.90843	0.8
53.03923	1.9
53.37104	0.8
54.27006	0.8
55.05504	13.3
56.75513	1.0
57.03434	1.6
57.07067	16.0
61.02927	1.2
67.05484	4.2
69.03409	7.7
69.07053	19.7
76.56739	1.1
79.05474	21.3
81.03416	4.2
81.07037	28.3
81.38330	1.1
83.04928	1.0
83.08591	2.4
84.22256	1.1
85.02893	7.6
89.03901	2.2
89.05994	7.3
91.05457	11.3
93.07025	40.3
95.04984	8.6
95.08593	17.3
99.04408	1.9
103.05451	19.9
105.07021	10.8
107.04935	2.4
107.08578	100.0
109.06497	4.9
109.25133	1.1
110.40242	1.1
115.05384	1.2
117.06985	1.6
119.08555	6.3
121.06487	1.9
121.09263	1.7
121.10129	31.0
122.09666	3.4
127.07703	0.9
130.07787	1.3
131.04926	17.0
133.02835	1.3
135.04405	7.7
135.08012	1.7
135.11646	11.4
145.02821	1.6
145.06531	1.3
145.10139	7.6
163.03877	19.9
163.07510	4.2
163.11154	15.1
163.14780	44.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.148
Annotation	Geijeren
Peak:m/z	Relative Intensity
52.21785	0.9
53.03948	1.8
54.54755	0.9
55.05507	11.1
56.23879	1.3
57.03410	1.1
57.07064	8.5
58.61699	1.2
69.03423	3.1
69.07055	66.3
73.02901	1.3
76.56437	1.1
79.05470	19.0
81.03398	1.8
81.07039	9.1
81.26554	1.1
83.08603	9.4
85.02898	7.4
89.03902	6.8
91.05453	13.7
93.07021	35.3
93.07571	2.3
95.04939	2.2
95.08572	11.0
103.05440	2.9
103.98296	1.2
105.07004	20.4
107.08575	100.0
109.06509	2.2
117.03362	6.5
119.08549	7.0
121.10116	52.1
123.07993	1.7
127.13307	1.4
133.10109	1.7
135.04401	12.0
135.11658	18.1
145.02844	2.7
163.03865	13.1
163.11168	1.6
163.14784	43.6
172.33864	1.4
179.51152	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.1116
Annotation	Lamoxirene
Peak:m/z	Relative Intensity
53.03926	8.8
55.01855	8.9
55.05505	19.5
57.03411	3.7
57.07066	26.8
62.64981	1.5
63.02322	1.6
65.76157	1.6
67.05486	15.8
69.03412	13.9
69.07050	13.8
71.03236	1.5
71.04954	1.7
78.57465	1.7
79.05469	46.5
79.79609	1.6
81.03378	14.2
81.07037	73.9
83.08598	2.5
85.02876	13.2
89.03886	23.0
89.06000	12.3
91.05455	37.1
93.07017	85.0
95.04924	18.3
95.08578	11.8
99.04403	4.0
103.05440	76.8
104.14779	2.0
105.07009	36.3
107.04938	15.6
107.08570	84.8
109.06521	21.4
115.05453	15.7
117.03385	13.3
117.06989	47.9
119.08556	27.6
121.06456	7.8
121.10116	79.2
122.09632	9.9
123.08035	2.2
127.07531	18.3
130.07747	10.7
131.04897	64.3
133.06462	2.8
135.04390	37.1
135.07997	10.2
135.11668	15.8
143.08565	2.9
145.02820	8.4
145.06462	60.3
145.10097	77.5
163.03850	45.8
163.07494	32.5
163.11137	100.0
163.12479	4.0
163.14772	26.8
168.39214	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	163.0962
Annotation	Oleandrose
Peak:m/z	Relative Intensity
53.03932	5.4
54.41248	2.6
55.05488	12.8
57.03425	84.4
57.06808	4.3
57.07064	73.3
59.04984	5.5
60.20761	2.7
65.03943	2.7
66.32031	2.7
67.05475	20.5
69.03425	22.2
69.07034	4.0
71.04964	13.0
71.08607	16.8
79.05470	33.6
81.03397	11.8
81.07030	80.1
83.04942	3.2
85.02873	17.3
85.06519	58.0
89.03895	73.9
89.06015	10.6
91.60510	2.8
92.09288	4.0
92.63605	2.5
94.24899	2.7
95.04936	14.9
95.09724	2.8
99.04467	3.0
99.08063	29.5
101.05963	4.5
101.28815	2.5
103.05432	13.9
103.06920	4.5
103.07554	78.4
105.07041	4.2
107.04951	10.9
107.08559	5.8
109.06496	47.3
114.36454	3.0
117.03353	58.1
117.09083	34.8
127.07546	22.3
131.04887	12.5
135.04376	100.0
135.08028	3.7
135.11708	3.2
139.01773	3.4
144.73965	3.2
145.02824	39.9
163.03848	85.9
163.07571	3.6
181.02817	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	163.06
Annotation	(S)-2-(Hydroxymethyl)glutarate
Peak:m/z	Relative Intensity
53.03943	6.6
53.61729	0.4
55.01870	5.5
55.05496	2.3
56.96551	1.2
57.03428	16.6
57.07072	5.4
59.04990	2.3
61.02916	20.1
62.92976	0.9
69.03415	45.8
71.01340	2.2
71.04973	4.4
72.93787	0.6
73.02901	9.4
77.62901	0.5
78.95258	0.5
79.05469	2.7
81.03397	19.4
85.02888	100.0
87.04444	3.1
89.03373	0.9
89.03899	18.9
89.06010	4.0
91.03937	1.2
95.01286	0.8
95.04946	1.1
97.02870	19.5
99.04430	12.3
101.02368	2.2
101.22181	0.5
103.03906	3.9
103.05460	2.5
106.06532	1.2
107.04955	3.4
107.06981	0.7
109.02859	8.4
109.06496	0.6
117.03353	15.9
117.05689	2.7
118.24550	0.6
120.08091	2.2
121.96619	2.9
127.03901	8.8
130.06508	9.6
131.04906	3.1
132.08063	10.1
135.03357	1.0
135.04393	26.5
135.06317	3.0
139.29839	0.5
145.02814	8.8
145.03804	0.7
163.03876	23.3
163.07460	0.8
163.08676	1.2
163.12289	7.9
181.02834	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.06
Annotation	3-Hydroxy-3-methylglutarate
Peak:m/z	Relative Intensity
51.61401	0.4
53.03941	6.3
55.01868	5.0
55.05500	2.5
56.96553	2.9
57.03426	16.3
57.07072	5.3
59.04999	0.8
61.02912	18.3
62.14331	0.6
62.92955	0.7
66.65057	0.5
69.03412	39.4
71.01321	1.0
71.04969	6.6
73.02898	9.3
76.49076	0.5
79.05450	2.4
81.03397	23.0
81.07007	0.8
82.96397	0.5
83.01338	0.7
83.04964	0.8
84.08126	0.9
85.02886	100.0
87.04451	3.6
89.03894	11.6
89.06002	2.9
91.03928	1.0
95.01308	2.8
95.04952	0.7
97.02871	16.3
99.03836	1.0
99.04433	23.5
99.05392	0.7
101.02341	3.1
103.02444	0.6
103.03923	14.7
103.05444	4.4
106.06526	2.5
107.04922	2.8
107.07019	0.7
109.02851	12.1
117.03360	11.1
117.05606	3.6
120.08078	1.0
121.01616	0.7
121.06416	0.8
121.96632	4.6
127.03897	17.4
130.06488	8.9
131.04904	3.4
132.08063	8.1
135.04387	15.1
145.02808	6.2
145.04956	2.7
163.03862	16.8
163.07481	3.1
163.08688	1.4
163.12299	6.6
163.87096	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	5-Hydroxycoumarin
Peak:m/z	Relative Intensity
53.03925	3.8
55.01837	0.8
55.05496	1.8
55.61452	0.9
57.03417	1.2
57.07064	8.5
63.02324	1.2
69.03410	6.7
73.02877	1.3
74.44176	0.7
79.05476	11.9
79.14656	0.7
81.03400	3.4
85.02890	8.0
88.42530	1.0
89.03891	82.4
89.05995	6.4
91.05462	2.1
93.07046	1.7
95.04935	7.0
99.04448	1.5
103.05427	4.5
104.79906	0.8
105.07008	3.4
107.04939	16.1
107.08559	1.6
109.02843	2.0
115.06507	0.8
117.03350	61.3
121.06457	1.2
122.09550	0.9
131.04884	4.7
135.04384	100.0
145.02824	36.2
145.03860	1.6
145.10023	1.3
163.03859	82.9
163.07458	1.7
163.11116	6.8
164.90846	0.9
181.02774	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	163.0388
Annotation	Umbelliferone
Peak:m/z	Relative Intensity
53.03923	5.2
54.61681	1.0
55.01862	10.5
55.05481	1.9
56.96542	1.2
57.03428	11.6
57.07052	1.8
59.04990	1.4
61.02915	9.8
63.02354	1.7
69.03407	24.3
71.04985	4.2
73.02901	20.5
79.05469	12.7
81.03395	20.4
83.04961	1.5
85.02888	28.9
89.03898	76.8
89.05978	1.7
89.37600	1.4
95.04952	3.0
97.02862	5.8
99.04418	5.2
99.06328	1.5
101.02364	5.2
107.04941	11.7
109.02842	2.7
117.03360	59.2
117.05473	4.8
127.03860	5.7
128.80511	1.3
130.06549	1.8
135.04395	100.0
139.20514	1.2
145.02841	39.9
145.03943	2.9
163.02490	2.7
163.03864	78.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.1325
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
53.03929	0.7
55.05497	4.7
60.23015	0.5
65.03912	0.7
67.05491	3.2
67.08312	0.6
69.07043	3.3
71.33702	0.6
74.41482	0.5
79.05467	5.1
81.07041	30.6
88.02187	0.7
91.05464	10.7
91.56185	0.6
91.78644	0.6
93.07024	11.6
94.03237	0.6
95.08589	1.1
97.28846	0.6
102.96881	0.7
103.05453	0.9
105.07014	82.1
106.64502	0.6
107.08532	2.7
109.90122	0.6
114.62874	0.6
115.05547	0.7
117.06994	3.6
119.08561	37.4
124.26910	0.8
131.08554	2.7
132.09288	0.8
133.06578	0.7
133.10100	28.5
146.69516	0.6
158.91473	0.6
159.11639	1.2
161.05888	1.1
161.13228	100.0
161.82549	0.6
162.13554	0.8
175.66385	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.076
Annotation	O-Acetyl-L-homoserine
Peak:m/z	Relative Intensity
54.09449	0.6
55.05507	3.1
56.01402	0.9
56.05028	14.9
56.96558	1.5
57.03424	3.3
58.06589	9.7
60.04514	3.3
70.06567	1.0
72.08128	1.3
73.02931	0.7
74.06062	100.0
81.03377	0.8
81.07042	1.6
83.08617	1.7
84.04479	6.5
85.02885	6.4
85.06557	1.0
98.06030	7.2
98.09695	0.8
99.04446	1.2
99.08091	1.3
102.05518	32.0
102.09151	0.7
102.96860	0.8
103.03902	6.3
107.22994	0.8
116.07079	11.9
117.05499	0.7
120.06555	68.9
126.05476	1.3
126.09148	1.3
127.03864	1.0
144.06543	8.2
144.10220	1.2
156.07152	0.8
162.07640	2.7
173.32133	0.8
173.76164	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	162.1124
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03939	1.1
55.01855	3.1
55.05507	20.8
56.04761	0.6
56.05029	17.1
56.96558	5.1
57.03431	10.1
57.50379	0.5
58.06590	8.9
59.07362	1.3
60.04504	5.0
60.07864	1.0
60.08150	24.4
61.02909	2.5
64.33004	0.6
68.05010	1.5
69.03413	6.4
70.06577	10.6
71.04984	4.5
72.04483	4.8
72.08131	0.7
73.02886	3.2
73.06538	14.3
74.02420	1.4
74.06061	54.9
76.07616	0.5
80.04985	0.6
81.03409	5.2
81.07023	4.6
83.04941	0.6
83.08595	3.9
84.04486	31.7
84.08128	11.6
84.96029	0.8
85.02886	36.5
85.06523	2.7
86.06029	0.6
87.04440	3.4
88.27992	0.6
90.01535	2.8
90.05529	10.0
91.02286	1.0
96.08091	2.4
97.02857	3.5
98.06032	47.9
98.09651	3.7
98.97529	1.0
99.02048	1.4
99.04424	3.0
99.08092	2.5
99.29296	0.6
102.05525	25.7
102.06200	1.0
102.09158	47.1
103.03922	49.4
105.02137	0.8
109.02859	1.4
112.30875	0.7
113.01779	2.8
114.00771	0.9
116.03315	0.8
116.07071	37.0
116.10691	5.5
119.01852	0.8
120.06554	44.1
121.01640	1.2
126.05467	5.4
126.09117	3.7
127.03896	0.9
127.07516	0.7
130.04977	2.9
134.05975	1.5
144.06528	16.8
144.10182	3.7
145.04974	0.7
148.05072	0.7
162.05447	1.1
162.07594	6.7
162.11221	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	161.0294
Annotation	Unknow
Peak:m/z	Relative Intensity
52.13337	0.4
54.81536	0.5
55.16552	0.3
56.96554	0.6
59.94500	0.3
75.73833	0.4
96.83774	0.4
98.97566	3.0
100.33701	0.4
101.00858	21.8
102.00967	0.7
106.53803	0.4
116.05763	0.6
116.98631	1.9
119.01898	100.0
120.01978	3.4
121.87686	0.4
134.99631	1.5
136.99165	0.4
137.02933	39.2
138.03001	0.7
142.03484	1.0
143.03609	3.9
161.02934	3.9
161.04649	2.2
179.03992	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	161.1323
Annotation	Trinoranastreptene
Peak:m/z	Relative Intensity
54.81833	1.9
55.05495	17.3
67.05484	4.9
69.07059	14.5
73.49544	2.3
79.05458	15.5
81.07027	23.7
91.05457	43.4
93.07021	17.5
104.05064	1.9
105.07006	100.0
107.08600	8.1
116.04979	10.8
117.07001	12.3
118.06513	66.4
119.08557	99.3
119.09394	3.5
131.08551	11.9
133.10095	47.3
134.05925	2.1
144.04463	11.8
159.11688	3.8
161.09631	2.9
161.13229	72.8
162.05453	30.5
176.76935	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	160.0604
Annotation	4-Methylene-L-glutamate
Peak:m/z	Relative Intensity
51.51284	0.4
52.73820	0.4
53.03939	7.9
53.61803	0.4
55.01868	1.1
55.05505	13.2
56.05031	2.7
58.02967	0.5
58.99582	0.5
68.05016	16.5
69.03419	2.9
69.06707	0.9
69.07055	13.6
70.06579	9.9
71.04970	0.7
71.06965	0.5
72.08128	0.7
74.02428	0.9
76.38338	0.5
81.03406	0.7
82.06587	0.6
86.06039	4.3
88.02166	0.6
91.00482	0.6
96.04472	100.0
96.08108	52.9
97.02872	4.2
97.04784	0.5
97.06475	0.5
99.04436	0.5
100.03982	0.7
101.06010	0.5
103.77481	0.5
114.03754	17.5
114.05509	50.2
114.09148	26.3
115.03911	0.8
125.02341	1.1
142.04976	9.4
142.08614	13.8
143.03340	0.6
160.04260	3.5
160.06041	11.7
160.09659	24.9
160.13264	0.7
177.81290	0.5
179.16258	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	160.0603
Annotation	N-Methyl-2-oxoglutaramate
Peak:m/z	Relative Intensity
53.03925	1.1
53.08319	0.4
55.01859	0.7
55.05502	24.5
56.05021	8.7
56.54183	0.4
56.96552	6.2
57.03409	0.7
57.04279	0.8
57.04550	22.9
59.04982	0.9
60.04520	0.9
68.05022	4.8
69.03413	9.0
69.07052	41.0
70.06572	10.7
71.04980	1.1
73.02893	0.7
74.02416	3.4
74.07185	7.5
79.05466	2.0
81.03381	0.6
82.02915	0.7
82.06565	0.5
85.02880	2.1
86.06050	27.7
86.09695	1.2
87.04447	49.5
96.01504	0.5
96.04471	40.1
96.08107	100.0
97.02864	4.5
97.06490	0.4
97.07615	2.7
98.97543	2.5
99.04449	2.5
100.03938	0.4
100.07594	0.6
104.07080	23.6
104.07748	1.0
110.03136	0.6
114.03754	0.9
114.05508	31.0
114.09144	59.2
115.00683	0.6
116.98589	0.6
119.01898	0.6
124.07600	1.0
125.02370	1.1
125.07096	12.3
128.02322	0.9
133.01714	2.9
136.30692	0.5
138.95097	0.5
142.04982	4.1
142.06030	0.6
142.08612	22.2
142.09671	1.5
143.08159	0.5
148.03879	1.1
151.02814	2.2
157.04370	2.1
158.99638	0.7
160.04730	0.8
160.06030	9.4
160.09647	32.5
160.10817	68.1
160.13367	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	160.0968
Annotation	3-Hydroxystachydrine
Peak:m/z	Relative Intensity
51.83013	0.8
53.03928	4.7
53.70345	0.8
55.01861	1.8
55.05272	1.2
55.05505	28.9
56.05035	7.7
57.04539	5.4
58.02935	2.2
60.04543	0.8
60.08160	1.5
68.05016	13.3
69.03406	6.3
69.06673	1.0
69.07047	23.5
70.06576	64.4
70.19619	1.0
71.04945	1.6
74.02419	1.5
74.07183	1.4
79.05458	1.0
81.03342	1.0
82.02905	1.8
82.06573	1.1
83.04958	1.3
84.04470	1.4
86.06054	15.2
87.04448	17.3
88.03987	1.3
88.07629	1.8
96.04470	69.0
96.08108	100.0
97.02861	3.8
97.06506	1.4
97.07648	1.0
97.08333	0.9
99.04478	1.2
100.07592	5.6
101.05957	2.1
104.07059	5.2
113.07014	0.9
114.03776	8.3
114.04690	1.3
114.05507	57.7
114.09145	76.7
115.03889	1.6
125.07074	4.0
128.03447	1.8
137.07344	1.0
142.04955	8.2
142.08612	30.6
160.04262	1.0
160.04692	1.2
160.06035	13.6
160.09650	86.8
160.10811	14.9
160.13261	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	158.0125
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96554	12.5
71.95237	1.9
85.18178	0.4
97.47904	0.4
98.97560	100.0
112.17860	0.3
116.98598	64.0
133.05116	0.4
134.99629	29.7
140.00162	0.5
151.61411	0.4
153.00697	2.9
153.06630	0.3
158.01231	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	158.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
56.96556	34.5
57.03421	0.5
57.93570	0.5
58.95415	2.1
59.93087	0.6
71.95241	4.4
72.04520	0.9
74.97567	0.5
75.94571	0.5
76.55756	0.4
76.92844	0.7
76.93328	2.0
78.14707	0.5
81.03417	0.8
81.07043	0.5
98.97562	85.3
99.97901	7.5
116.98597	90.3
117.95953	0.8
117.98951	10.7
118.96724	1.9
119.01921	1.8
131.11790	0.8
134.99629	100.0
135.96957	0.8
136.00012	14.9
137.02957	0.7
142.03462	1.1
153.00681	24.8
153.96724	0.7
154.01056	3.6
158.01282	3.5
158.09550	0.7
159.09987	0.8
160.04475	1.1
170.31955	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	159.1167
Annotation	(1,2,3-Trimethyl-2-cyclopropen-1-yl)benzene
Peak:m/z	Relative Intensity
56.96552	6.0
60.66965	0.8
67.05479	3.4
76.93320	1.2
79.05474	1.6
81.03400	1.4
81.07017	1.1
91.05458	14.7
98.85419	0.8
98.97585	9.1
99.97887	1.6
105.07009	20.5
109.02859	1.2
115.05414	6.2
116.06227	1.8
116.98598	12.2
117.06989	30.9
117.95940	1.0
117.98921	1.0
118.96727	0.8
119.08551	8.5
129.06975	18.3
130.06870	1.4
130.07755	21.6
131.08542	77.5
131.11752	3.6
134.99625	14.6
135.16180	0.8
135.99998	3.3
142.07784	3.2
143.08513	0.8
144.09320	22.9
153.00728	1.9
157.10114	3.9
159.11661	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	157.0131
Annotation	2,5-Furandicarboxylate
Peak:m/z	Relative Intensity
54.82286	1.1
55.01868	20.6
55.05500	2.2
56.96556	53.3
57.03413	2.5
61.02914	5.2
67.01852	1.8
68.05015	2.2
68.99777	100.0
69.03401	8.4
70.06564	2.7
71.04961	1.5
73.02911	1.6
74.97591	1.5
76.51579	2.0
79.05463	1.5
83.00757	2.1
83.01299	1.4
83.04956	8.7
84.01555	2.4
85.02899	2.7
86.09678	3.3
92.01246	3.1
93.06997	1.4
95.04942	1.9
97.07623	2.5
97.99149	3.1
98.01243	1.9
98.97561	6.5
101.99719	1.6
103.52032	1.4
103.99456	1.5
106.01027	1.3
111.00796	97.1
111.04442	9.7
111.09172	9.5
112.01039	1.4
113.02336	8.2
115.00648	2.7
116.00156	1.4
116.98623	5.6
120.00734	9.3
122.51013	2.4
125.07085	5.9
129.01823	5.5
133.01704	2.3
139.00244	63.8
140.03378	2.3
142.96507	1.9
144.98006	2.0
149.88095	1.4
157.01285	17.4
157.09642	13.8
158.11795	1.4
162.99066	2.2
177.00694	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	157.1223
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20256	1.2
55.01853	1.5
55.05500	17.6
56.96318	1.7
56.96557	27.1
57.03413	8.1
57.07060	3.6
59.04972	7.9
67.05483	2.8
69.03409	3.2
69.07053	89.0
70.72439	1.3
71.04979	34.4
71.95233	2.4
71.95877	1.5
72.93743	1.9
73.93820	1.4
74.93144	1.7
74.93797	8.2
79.05469	2.4
81.07027	10.2
83.04958	8.6
83.08576	2.0
85.06493	1.5
87.08056	2.0
91.05432	3.6
92.94843	1.6
93.07033	12.6
95.04904	1.7
95.08588	18.7
97.06511	20.2
97.10143	5.8
98.97561	92.8
99.08051	13.0
111.04465	1.9
111.08056	2.4
111.11678	15.7
115.96388	2.8
116.97202	9.5
116.98599	100.0
121.10148	14.4
132.95755	2.1
133.05147	1.6
133.96089	2.4
133.97408	5.6
134.99634	92.3
136.40489	1.5
139.11150	15.8
142.07727	2.4
150.96895	3.0
151.97099	10.2
152.96935	2.0
153.00679	22.8
157.07607	3.2
157.12201	1.9
158.00027	2.5
158.01169	2.7
158.09637	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	154.0862
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.7
55.54140	0.4
56.05014	0.5
58.76197	0.3
70.06564	0.4
72.44125	0.4
72.93775	3.1
73.73282	0.4
79.05475	1.7
79.84637	0.4
81.07034	7.6
82.06572	0.7
83.08590	0.6
96.04460	0.4
97.05246	2.7
98.06037	2.5
98.09657	1.7
108.08089	2.3
109.06492	3.8
110.06013	4.4
110.40097	0.3
110.47693	0.3
111.06806	4.3
113.96361	0.4
124.07574	0.5
125.08294	0.6
126.09130	2.5
131.97339	0.7
133.80527	0.3
136.12042	0.4
138.05508	0.6
139.06259	4.7
139.70833	0.4
144.12758	0.4
148.97354	0.4
149.97211	0.5
154.08598	100.0
155.08937	1.4
160.97783	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	154.9418
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03926	1.7
55.01873	1.8
56.96558	100.0
57.03427	35.7
58.99857	1.7
59.05000	1.9
59.52205	1.2
60.04507	3.5
61.02937	1.5
61.21576	1.4
68.02637	2.3
69.03410	15.6
70.03780	1.4
70.98098	2.8
71.01338	6.2
71.04970	9.6
73.02899	30.3
74.97601	2.3
75.04453	3.5
76.02644	1.6
76.51607	1.4
77.00854	6.1
79.59922	1.4
81.03402	34.7
83.00794	6.1
84.01545	3.0
84.96010	6.9
85.02884	23.9
86.03670	8.1
87.04453	3.2
87.50760	1.7
88.02674	2.5
88.99125	2.4
89.00813	1.6
89.02541	1.6
89.05991	1.5
90.01545	2.9
91.02359	2.4
92.01299	8.0
96.01538	7.8
96.51289	2.9
97.02875	5.5
97.96777	20.5
97.99152	8.3
98.01287	3.1
98.97563	55.4
99.04418	3.8
99.53456	1.6
100.00062	2.0
100.02466	7.2
100.05215	3.9
101.00825	14.6
102.00919	1.9
102.02385	3.7
103.00584	6.0
103.02328	2.1
104.01295	8.0
104.98663	1.8
105.02075	3.0
105.55400	1.8
109.02846	21.0
110.01255	13.1
110.97546	14.4
111.02028	8.6
112.99106	2.1
113.01807	3.1
113.99133	7.0
115.97823	12.0
116.00193	3.8
116.52860	2.3
116.98588	29.2
117.02049	10.2
118.01112	2.8
118.03470	3.8
118.92067	2.4
118.98344	6.1
119.01866	59.3
120.01986	9.6
120.52395	1.8
121.01632	25.2
121.02429	2.6
121.03429	2.3
121.52073	2.7
122.53666	1.8
124.02456	3.3
125.01776	11.9
126.02566	24.5
127.01542	2.1
127.98859	14.6
128.02322	3.4
128.52800	1.8
128.98579	19.1
130.52589	8.1
131.00180	9.5
131.01860	20.4
131.02678	1.8
131.52615	3.0
131.96095	2.7
132.01979	8.2
133.03430	9.0
133.98820	3.4
134.02309	8.3
134.99640	10.6
135.03111	7.9
136.93123	15.4
136.99348	1.5
137.02951	14.2
137.53323	6.2
137.98393	1.6
138.00111	1.6
139.02713	9.4
139.53099	1.8
140.00200	2.2
141.50218	3.1
142.03474	37.6
143.00197	7.1
143.02687	15.0
143.03769	4.7
143.04880	1.9
144.03259	17.8
144.98029	2.3
145.03511	1.8
146.53845	3.3
146.99640	14.3
149.01201	7.9
149.02921	2.8
149.51790	2.4
149.97206	2.4
149.98322	5.7
151.04561	2.6
153.00745	1.7
154.03499	2.2
154.04651	1.7
154.94153	27.4
155.00092	2.4
158.98849	11.3
160.04552	10.5
161.01178	2.7
161.04678	2.3
162.04211	5.7
162.99126	2.8
165.00618	2.5
167.99402	6.7
170.01343	2.6
172.95203	68.0
173.01279	3.1
173.02893	1.8
174.03767	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00296	2.1
53.03923	2.5
55.05512	10.7
57.07042	1.2
59.04985	7.3
64.36765	0.9
65.03917	1.1
67.05479	5.9
68.64085	0.9
69.07063	10.4
71.04975	43.0
73.06534	23.0
79.05466	23.0
81.07036	100.0
91.05431	8.8
93.07028	38.6
95.04937	2.0
95.08575	7.1
97.06503	5.5
103.73409	0.9
107.08575	34.5
109.10121	6.5
135.11678	32.5
140.07829	1.0
141.05807	1.0
144.01454	1.1
153.12718	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
51.32447	0.8
53.00293	4.0
55.05500	14.2
57.07059	1.9
59.04998	7.2
62.02635	0.7
67.05480	7.1
68.96340	1.1
69.03424	1.8
69.07055	11.3
70.94228	1.6
71.04975	47.0
73.06533	19.7
79.05049	1.5
79.05473	24.4
81.07035	100.0
83.04942	1.2
83.08592	1.8
85.06538	1.1
91.05469	8.8
93.07020	42.2
95.04923	6.2
95.08593	9.4
97.06508	7.5
105.07006	4.1
107.08572	39.5
109.06496	1.8
109.10143	8.6
111.08067	4.5
119.08563	1.1
135.11670	37.8
148.97276	1.1
153.05356	1.0
153.09177	1.6
153.12714	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00287	3.6
53.03923	4.2
53.22194	2.7
55.05495	17.2
55.15920	2.8
55.97392	2.5
56.37907	3.7
57.03413	2.6
59.04985	19.8
63.43503	2.6
65.03929	6.4
65.25928	2.5
67.05486	13.8
68.58459	2.5
69.07043	21.2
71.04985	38.4
73.06519	18.7
79.05468	28.0
81.07037	98.1
82.94118	3.2
83.04938	4.8
83.08624	3.7
91.05450	5.1
93.03397	4.3
93.07021	49.6
95.04947	100.0
95.08573	19.8
97.06497	7.7
98.00713	3.7
101.50742	3.4
107.08582	43.8
109.10136	20.8
111.04408	4.1
111.08035	3.5
111.36890	3.0
125.05967	11.5
125.09618	3.7
135.11635	32.4
148.97322	3.8
153.05438	51.1
153.10182	5.0
153.12717	35.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00283	2.2
53.03936	2.2
55.05507	19.1
59.04979	9.2
60.11880	1.6
65.03909	2.6
67.05485	8.1
69.07052	12.2
70.94233	3.3
71.04971	52.8
73.06531	20.9
74.77796	1.8
79.05470	26.8
81.07038	100.0
83.04967	9.2
83.08580	2.3
91.05460	11.1
93.07026	42.8
95.04946	9.2
95.08575	8.6
97.06489	4.2
105.07008	2.7
107.04939	2.5
107.08567	39.0
109.10130	14.9
111.08044	2.9
135.04381	4.7
135.08069	3.5
135.11659	39.5
153.05379	2.3
153.12737	21.3
154.08591	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	153.1273
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.03929	1.3
55.05501	17.5
55.40912	0.9
56.20592	0.9
56.96551	1.5
57.03417	4.1
57.07049	1.1
59.04970	4.6
64.24580	0.9
65.03907	1.7
65.82246	0.9
67.05486	21.1
68.96297	5.0
69.03403	2.4
69.07046	33.9
70.94212	2.4
70.95837	1.8
71.04970	5.8
72.39315	1.0
79.05467	15.1
81.07029	23.8
83.04939	5.6
83.08585	5.6
91.05460	14.0
92.63382	1.2
93.07018	65.2
95.04932	6.2
95.08578	47.9
96.05266	1.0
97.06503	15.3
105.06997	5.1
107.04924	2.0
107.08569	100.0
108.05250	1.4
109.06484	2.6
109.10133	51.5
111.04402	2.1
111.08029	6.6
113.22971	1.1
119.08574	2.0
125.05945	1.5
130.00975	1.7
130.96259	6.2
134.99577	1.2
135.08040	2.0
135.11653	53.7
148.97322	15.1
153.05414	1.1
153.12704	38.5
166.98416	1.2
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	(+)-cis-p-Mentha-1(7),8-dien-2-ol
Peak:m/z	Relative Intensity
51.03518	0.8
52.61721	0.9
53.03944	1.2
55.05234	1.6
55.05505	36.2
56.96551	1.1
57.03434	1.9
57.12244	0.8
59.04992	2.3
59.65112	0.8
67.05492	7.9
68.96356	1.4
69.03412	5.8
69.07056	100.0
70.94239	1.8
71.04971	1.2
79.05479	4.6
81.07032	11.7
83.04988	4.0
83.08602	1.5
88.95286	1.1
91.05473	6.1
93.07024	22.6
95.04947	17.3
95.08587	15.6
95.70275	0.9
97.06514	11.4
105.07005	1.3
107.04964	2.1
107.08578	26.2
109.06528	0.9
109.10143	22.7
111.04418	1.9
111.08042	4.2
119.08500	1.1
119.24075	0.9
130.96274	2.1
135.04468	1.4
135.08037	1.4
135.11668	13.3
148.97340	4.8
153.05457	3.7
153.06888	1.1
153.09071	1.5
153.12712	26.5
153.13936	1.0
171.45966	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.1274
Annotation	Lyratol
Peak:m/z	Relative Intensity
53.00302	2.8
53.03944	2.7
55.01862	1.8
55.05508	28.8
56.19677	1.6
56.29407	1.6
56.96536	2.8
57.03423	3.3
59.04980	7.3
65.03923	8.1
67.05487	33.9
67.14986	1.6
68.96310	8.6
69.03407	4.1
69.06707	2.9
69.07051	47.6
70.94238	14.1
70.95829	3.1
71.04978	45.9
71.94078	2.2
73.06548	20.9
79.05475	38.4
81.07043	100.0
83.04966	11.8
83.08596	3.0
87.59439	2.0
88.66096	1.8
88.85297	1.9
88.95272	3.8
88.98729	1.7
89.00189	2.5
91.05468	19.7
93.03375	3.6
93.07023	51.4
95.04936	20.1
95.08601	17.8
97.06502	9.3
102.70200	1.7
105.07005	3.7
107.04913	9.7
107.08581	74.0
109.06512	11.2
109.10149	18.5
111.04430	24.1
111.08073	8.2
111.96840	3.2
117.07029	2.6
117.45925	1.7
125.05951	8.7
125.09560	2.9
125.80157	1.8
129.97871	6.8
130.96288	9.7
135.04387	2.8
135.08032	10.7
135.11671	32.5
148.97348	25.7
153.01872	3.4
153.05415	10.3
153.09120	13.3
153.12711	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	153.0546
Annotation	Isovanillin
Peak:m/z	Relative Intensity
53.03936	0.4
54.97451	0.3
55.01869	1.5
55.05505	0.6
57.69468	0.3
58.50270	0.3
65.03924	5.8
67.05496	8.1
68.99786	0.4
69.07052	1.4
70.94226	0.4
71.04958	0.6
76.40646	0.3
79.05482	2.3
79.42446	0.3
81.07037	0.7
83.04956	0.4
91.05471	1.5
93.03374	1.7
93.07026	4.7
95.04947	14.1
95.08575	2.6
97.06496	4.0
105.07030	0.4
107.04881	0.4
107.08573	7.3
109.10157	3.7
110.03645	10.7
111.04433	5.0
111.08077	0.4
121.02936	0.4
123.04404	100.0
124.04712	1.4
125.05966	16.1
135.08032	0.4
135.11674	2.7
137.02325	5.6
138.03064	2.9
151.03893	4.8
153.05446	74.1
153.12695	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	153.091
Annotation	3-Isopropylcatechol
Peak:m/z	Relative Intensity
55.01865	26.6
55.05491	10.9
57.03408	2.4
59.04983	22.8
62.49083	2.3
63.65799	2.2
65.03912	9.9
67.05477	11.5
69.03400	17.6
69.07049	5.9
70.94239	5.2
71.04972	4.8
79.05473	53.5
79.14275	2.9
81.07036	20.8
83.04951	17.8
91.05474	43.4
92.09290	4.3
93.07014	22.5
95.04917	5.7
95.08572	16.0
97.06494	3.8
98.00725	3.0
102.10091	2.8
105.07001	34.8
107.04948	6.2
107.07862	4.3
107.08576	97.2
108.05693	10.9
109.06503	20.6
109.10135	4.6
111.04417	25.0
111.08057	13.3
111.96896	3.1
115.05423	4.1
117.07040	3.9
119.06034	2.7
123.08045	83.5
125.09595	32.8
133.07607	13.2
135.07068	4.8
135.08032	100.0
135.11601	4.5
148.97383	3.3
153.09085	42.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	5-Hydroxy-2-methoxy benzaldehyde
Peak:m/z	Relative Intensity
52.31932	0.6
53.03924	2.8
55.01853	3.5
56.96544	0.8
57.03429	0.6
60.94424	0.7
64.33492	0.6
65.03926	12.7
67.01837	3.1
67.05484	4.3
68.99796	0.6
69.03404	1.5
70.94233	1.1
79.05475	6.5
81.07008	1.3
82.04158	3.5
83.04953	3.5
83.19781	0.7
85.02872	3.9
89.00203	0.8
91.05437	3.9
92.01266	1.0
93.03381	19.2
94.04156	7.3
94.51537	0.8
95.04959	7.1
97.06526	5.7
98.00729	3.8
100.51026	0.9
107.08601	0.7
109.51560	0.8
110.03610	4.9
111.04412	7.2
121.02853	9.6
125.05962	21.0
129.97867	0.8
148.97383	0.8
153.05438	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	153.0545
Annotation	Vanillin
Peak:m/z	Relative Intensity
50.59061	0.4
53.03929	1.2
55.01855	1.1
55.05498	0.5
56.96555	0.5
58.59148	0.4
65.03927	8.1
67.01852	2.1
67.05491	2.4
69.03413	0.6
71.04958	0.6
73.86738	0.5
79.05461	2.5
81.07013	0.7
82.04185	2.4
83.04946	3.0
85.02924	0.7
89.00230	2.5
91.05456	0.8
93.03370	8.1
93.06985	0.5
94.04156	2.8
95.04935	2.3
97.06512	4.4
98.00742	3.1
98.33429	0.5
100.51022	0.9
109.51554	0.8
110.03626	3.4
111.04418	3.1
117.95925	0.8
121.02821	3.0
122.46311	0.6
125.05967	24.6
135.96976	0.6
137.09641	0.5
153.05443	100.0
172.58521	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	152.0706
Annotation	2-Phenylglycine
Peak:m/z	Relative Intensity
53.03930	0.8
56.47702	0.4
60.82468	0.3
60.94723	0.4
64.33183	0.6
64.74440	0.4
77.03882	0.6
79.05480	26.2
88.74886	0.4
92.09186	0.6
95.04948	34.5
96.73681	0.4
103.98826	0.4
105.04529	0.5
107.04944	100.0
122.92662	0.5
135.04398	60.2
152.07045	14.0
174.46017	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	(-)-Car-3-en-2-one
Peak:m/z	Relative Intensity
52.71003	1.1
53.00298	2.2
54.20927	1.1
55.05500	2.8
57.07075	2.2
59.04982	1.4
67.05497	15.7
68.95293	1.2
69.03423	1.6
69.07051	100.0
79.05476	10.0
81.07031	50.7
85.06515	1.3
87.00445	8.0
88.00463	2.6
91.05457	7.9
93.07018	7.3
95.04928	2.4
95.08585	10.7
97.00977	2.9
98.51237	1.7
99.51237	2.1
105.06998	2.7
107.08595	6.4
109.06487	8.6
109.10133	7.1
115.96460	1.5
121.06490	5.2
123.08065	1.7
123.11681	22.3
133.10138	2.4
139.07567	1.2
151.03932	2.5
151.07527	7.1
151.11154	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	151.1117
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.03939	3.1
55.05505	100.0
57.03420	1.5
57.07077	1.7
58.06215	1.3
59.05001	1.6
59.30057	1.5
65.03915	2.3
67.05495	18.8
69.07043	2.7
69.40479	1.5
77.02345	1.4
79.05492	11.4
79.05868	1.4
79.71048	1.5
81.07048	33.8
82.96134	1.4
91.05450	16.8
93.07027	15.5
95.04942	10.5
95.08588	7.8
97.06498	16.1
105.07011	19.0
107.08604	15.1
109.06498	10.8
109.10159	29.2
116.67525	1.5
123.04404	2.0
123.08091	2.7
123.11692	11.7
133.00110	1.7
133.10100	7.6
151.03882	13.1
151.05005	3.1
151.11165	25.1
161.96326	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	Benzyl acetate
Peak:m/z	Relative Intensity
53.03925	6.9
56.96549	1.1
61.02862	1.2
63.02602	1.2
65.03923	2.3
67.05487	3.2
68.95278	2.7
75.46507	1.2
78.04697	5.9
81.07034	3.4
87.00439	9.0
91.05460	59.6
93.07020	7.7
95.04939	15.3
95.08584	3.1
97.00999	2.3
98.51222	1.6
99.25069	1.2
101.28062	1.3
105.04498	2.0
105.07001	2.6
106.04150	5.7
107.08575	1.7
109.06544	4.5
109.10124	1.6
121.06485	100.0
121.09730	1.2
123.04417	2.1
133.10071	1.9
139.07538	22.4
149.07127	2.7
151.03888	7.7
151.07520	85.5
151.11096	3.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.1117
Annotation	CARVONE
Peak:m/z	Relative Intensity
53.75304	1.3
54.02204	1.3
55.05502	100.0
56.96544	1.4
58.86030	1.3
59.04982	1.8
67.05484	14.7
69.03415	1.7
69.07047	2.2
71.04984	1.8
79.05477	11.7
81.07032	34.0
83.08620	1.7
89.06043	1.8
91.05434	15.9
92.63524	1.3
93.07008	11.8
95.04932	17.1
95.08565	6.3
97.06508	16.5
103.08176	1.6
105.07011	16.8
107.04929	2.0
107.08556	18.8
109.06483	12.7
109.10143	20.2
110.06028	1.5
123.04420	3.2
123.08045	6.7
123.11639	13.2
124.49342	1.7
133.06432	1.6
133.10063	2.6
138.55238	1.5
139.76326	1.5
151.03947	12.5
151.07544	8.9
151.11151	25.3
167.30475	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.02366	0.7
53.03932	5.2
55.01854	0.8
58.74162	0.7
64.01812	0.9
64.33707	0.9
65.03910	4.0
67.05484	1.5
78.04687	4.8
79.05458	1.4
81.07033	4.8
84.61964	0.8
87.00455	1.1
91.05458	52.3
93.07014	7.3
95.04938	14.3
95.08618	3.2
98.51234	1.0
105.04480	4.3
105.07000	4.4
106.04157	6.6
106.47372	0.9
107.08564	2.0
109.06496	4.2
109.10112	1.0
114.72415	0.8
121.06476	100.0
123.08018	1.8
123.11671	1.1
133.10133	1.4
139.07520	20.5
149.07085	4.2
151.03915	3.8
151.07521	85.5
151.11218	2.2
163.48566	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0754
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.88923	0.6
53.03930	4.7
55.01858	1.0
55.39360	0.6
56.01694	0.6
62.20881	0.7
63.86036	0.6
65.03923	3.2
67.05489	0.9
77.03896	0.9
78.04696	3.0
79.72083	0.8
81.07041	2.9
87.00468	0.8
91.05463	50.8
92.09293	1.3
93.07021	3.2
93.76588	0.7
95.04949	12.4
95.08582	1.0
97.89840	0.7
98.51173	1.0
105.04506	3.2
105.06971	0.8
105.77892	0.6
106.04183	5.1
108.05604	0.7
109.06509	3.2
109.10162	0.8
119.04980	0.7
121.06487	100.0
133.10045	0.7
139.07513	18.6
145.41457	0.7
149.07089	3.8
151.07523	73.9
151.11143	3.4
151.63953	0.6
159.78249	0.7
168.56517	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
53.03925	4.3
55.01852	0.8
65.03919	1.7
67.05453	0.8
72.52415	0.8
78.04684	4.4
87.00450	39.1
87.50510	0.9
88.95168	0.8
89.50700	0.9
90.57925	0.8
91.05458	52.6
93.07011	0.9
95.04939	11.4
96.00939	11.3
98.51228	12.2
105.04507	3.8
106.04155	5.3
109.06488	1.0
113.96390	12.6
117.33153	0.7
121.06481	100.0
131.97391	8.4
139.07515	19.1
149.07079	4.4
151.07520	75.3
157.14067	0.9
168.68169	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.0753
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
50.95327	0.4
53.03930	3.5
54.52316	0.5
55.01858	1.0
56.26369	0.6
56.96542	0.6
65.03914	3.0
66.42819	0.5
67.05496	1.1
78.04682	3.9
81.07017	2.7
87.00449	1.1
89.05988	2.0
89.66312	0.7
91.05460	52.4
93.07014	4.5
95.04949	12.8
95.08568	2.1
96.00941	0.7
101.33102	0.5
103.05456	1.1
105.04501	3.4
105.07011	1.3
106.04140	4.2
107.08586	1.0
107.50716	0.6
109.06488	1.0
109.10121	1.4
114.37431	0.6
121.06481	100.0
123.04408	2.8
123.08035	1.1
133.10083	0.8
136.05174	0.8
139.07521	21.2
149.07086	3.7
151.03896	2.7
151.07520	79.4
151.11096	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	151.039
Annotation	Piperonal
Peak:m/z	Relative Intensity
53.91650	0.9
55.01851	1.4
55.05496	4.6
57.15735	1.0
59.04983	1.2
65.03931	9.9
67.05495	9.6
68.95275	1.4
68.99771	2.3
78.00640	1.1
79.05468	5.1
80.41447	1.2
81.07033	12.2
91.05464	8.3
93.07016	7.4
95.04971	10.0
95.08592	5.9
105.06998	9.7
107.08593	11.7
108.02099	16.9
109.06506	5.6
109.10133	8.0
111.04401	5.6
121.03960	1.7
123.04456	8.7
123.08055	5.8
123.11650	2.0
128.18280	1.5
133.10101	2.7
151.03883	100.0
151.07486	5.5
151.11177	7.2
154.02573	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	151.0753
Annotation	3,5-Dimethyl-4-hydroxy benzaldehyde
Peak:m/z	Relative Intensity
51.02375	0.5
53.03933	4.7
55.01863	0.9
65.03915	2.7
69.61794	0.5
77.03887	0.6
78.04687	3.8
81.07032	0.8
83.65001	0.5
83.94364	0.5
85.03461	0.5
87.00433	5.1
91.05460	46.9
93.07008	3.3
95.04940	11.6
95.08588	1.0
97.00945	0.7
98.51220	1.1
100.86327	0.5
105.04485	2.3
105.07015	0.7
106.04151	4.4
109.06508	0.9
113.96384	1.1
121.06479	100.0
123.08026	0.9
127.65343	0.6
131.97406	1.1
136.05214	0.7
139.07516	25.7
142.35728	0.6
149.07095	3.8
151.07518	82.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	150.055
Annotation	2,3-Dihydroxyindole
Peak:m/z	Relative Intensity
51.63191	0.6
53.03933	6.3
55.01852	1.4
55.05482	0.7
56.96555	1.1
57.03441	0.7
60.75131	0.7
65.03912	3.1
67.05494	22.1
67.93544	3.3
71.07355	1.3
73.75599	0.8
79.05470	4.5
81.03408	1.6
85.25282	0.7
93.05798	0.7
94.06549	61.5
95.04948	3.1
96.04499	0.9
105.07027	5.7
106.06548	16.6
109.06555	0.7
117.05697	0.7
122.06011	33.5
126.59483	1.2
127.05573	1.1
132.08072	6.7
141.90942	0.8
150.05490	100.0
150.09103	19.6
150.10170	1.4
151.05855	0.8
168.06534	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	151.0389
Annotation	Piperonal
Peak:m/z	Relative Intensity
52.94229	0.5
53.59439	0.6
55.28600	0.6
56.91882	0.5
65.03928	8.0
67.05489	1.3
68.41709	0.7
68.99764	3.8
95.04935	4.8
108.02086	19.3
111.04404	3.9
113.88333	0.8
121.02761	1.5
121.03956	3.0
123.04384	1.4
132.05913	0.7
136.01523	1.3
142.89986	0.7
147.39861	0.7
151.03876	100.0
154.01523	0.7
154.02596	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	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
50.58015	2.4
54.56732	3.3
55.05509	4.5
56.65874	2.8
60.96095	3.1
65.03916	4.8
67.02979	6.4
67.05478	4.1
69.07040	5.1
69.53380	3.4
73.91596	2.8
79.05443	13.0
81.07034	25.9
84.53611	3.0
91.05466	15.4
93.07016	82.3
95.04949	4.5
95.08578	4.4
105.06952	4.2
107.08572	47.1
121.02849	5.6
121.10127	21.4
131.08499	4.7
142.94548	3.5
149.02319	23.3
149.09583	3.8
149.13240	100.0
149.14359	6.1
152.86208	3.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.1325
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
55.05516	3.9
56.96575	3.7
65.03924	22.7
66.00603	2.5
69.07068	11.9
72.95603	2.5
73.06529	4.5
79.05478	27.0
81.07039	13.2
91.05463	14.4
92.93455	2.6
93.03395	5.5
93.07027	52.9
95.04977	4.3
95.12724	2.8
101.67152	2.9
105.07023	11.8
105.99466	2.7
107.08590	43.3
121.02859	42.9
121.03960	6.0
121.06493	18.9
121.10137	14.2
131.08577	4.3
135.21643	2.5
149.02332	100.0
149.03462	5.6
149.05966	12.8
149.09595	7.0
149.13252	23.9
167.03555	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	149.1325
Annotation	Unknow
Peak:m/z	Relative Intensity
52.66642	0.8
53.03897	0.7
54.70441	0.9
55.05515	1.8
57.07060	1.1
59.11855	0.8
65.03922	7.3
69.07047	2.0
79.05483	7.7
81.07034	1.6
82.72790	1.0
87.98171	1.0
90.87429	0.9
91.05463	8.0
93.07024	14.3
95.04916	1.2
97.78451	1.0
103.05434	2.0
105.07010	23.7
107.08575	32.8
109.06526	1.4
111.04450	1.2
118.74437	1.0
119.08519	7.2
120.09358	1.2
121.02847	11.4
121.03988	1.8
121.06474	1.2
121.10116	100.0
123.08024	4.5
130.65219	1.2
131.04874	2.1
133.07588	1.5
134.10828	1.6
149.02306	27.0
149.06049	1.7
149.09627	4.8
149.13234	30.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03926	1.4
54.57893	0.8
55.01858	1.3
55.05501	1.8
56.96543	1.8
57.03411	1.6
65.03914	8.1
67.05505	1.1
69.03384	1.5
69.07049	4.5
77.12083	0.8
79.05470	13.6
81.07022	4.0
91.05455	26.6
93.03376	1.5
93.07019	43.0
95.04939	5.8
103.05444	5.5
105.07006	18.9
106.07793	1.5
107.04932	30.1
107.08577	27.8
109.06474	1.5
111.04421	3.9
115.05435	1.2
116.06207	4.7
119.08533	2.1
121.02830	15.7
121.03941	1.8
121.06481	4.9
121.10110	28.3
123.08063	1.4
129.06995	2.1
131.08560	12.6
149.02324	34.1
149.09589	100.0
149.13210	12.1
158.74086	1.0
165.41975	1.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
50.89639	1.2
55.01860	6.0
55.05487	1.9
59.04977	1.8
59.85913	1.1
61.05396	1.3
62.72055	1.1
65.03916	6.1
69.03415	3.6
73.06549	1.3
74.52410	1.2
79.05476	15.2
85.02869	1.5
91.05453	35.2
92.80121	1.4
93.03340	1.6
93.07009	19.5
95.04891	2.1
103.05442	10.0
105.07009	28.0
107.04929	8.0
107.08588	7.6
109.06514	3.5
112.73010	1.5
115.05434	3.6
116.06207	13.8
118.56727	1.3
119.08500	5.7
121.02837	10.5
121.03966	2.5
121.06490	21.9
121.10113	29.9
123.08057	2.4
129.06908	2.4
131.04883	3.5
131.08536	21.7
133.07565	1.7
147.08107	2.3
149.02318	28.6
149.05986	2.7
149.09595	100.0
149.13254	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	149.1324
Annotation	Ectocarpen
Peak:m/z	Relative Intensity
53.90079	0.9
55.05502	1.5
57.07064	1.5
64.57078	0.9
65.03923	4.9
69.07024	1.5
79.05477	6.8
81.07029	1.8
81.59913	1.0
91.05428	7.9
93.07011	12.1
93.85385	1.0
94.51021	0.9
95.04970	1.2
99.98453	1.0
103.05453	1.4
105.07020	22.4
107.08568	32.3
109.06496	1.8
111.80794	1.0
119.08547	6.2
121.02852	10.3
121.03888	1.3
121.10113	100.0
123.08062	5.0
123.99049	0.9
131.04842	1.3
149.02315	22.7
149.03453	1.4
149.09601	6.1
149.13220	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	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03923	1.7
54.81091	1.3
55.01867	12.3
55.05494	6.2
57.03421	2.7
59.04986	2.4
59.76519	1.4
60.72037	1.3
65.03914	13.8
67.05479	4.0
67.93540	1.8
69.03412	3.1
71.04948	1.6
73.06526	2.3
75.69817	1.4
79.05467	43.8
81.07001	2.5
83.04941	1.6
91.05450	37.2
93.03393	3.7
93.07020	41.7
95.04935	6.9
103.05460	7.9
105.07011	41.8
107.04922	19.5
107.08581	56.0
111.04412	2.1
116.06179	3.2
119.08532	2.5
121.02832	17.0
121.03996	2.2
121.06472	10.9
121.10087	19.1
129.06966	3.8
131.04913	9.2
131.08536	31.0
138.67950	1.8
149.02332	42.3
149.05971	9.2
149.09590	100.0
149.13245	3.4
157.10297	1.7
157.22400	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0961
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
50.89639	1.2
55.01860	6.0
55.05487	1.9
59.04977	1.8
59.85913	1.1
61.05396	1.3
62.72055	1.1
65.03916	6.1
69.03415	3.6
73.06549	1.3
74.52410	1.2
79.05476	15.2
85.02869	1.5
91.05453	35.2
92.80121	1.4
93.03340	1.6
93.07009	19.5
95.04891	2.1
103.05442	10.0
105.07009	28.0
107.04929	8.0
107.08588	7.6
109.06514	3.5
112.73010	1.5
115.05434	3.6
116.06207	13.8
118.56727	1.3
119.08500	5.7
121.02837	10.5
121.03966	2.5
121.06490	21.9
121.10113	29.9
123.08057	2.4
129.06908	2.4
131.04883	3.5
131.08536	21.7
133.07565	1.7
147.08107	2.3
149.02318	28.6
149.05986	2.7
149.09595	100.0
149.13254	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	148.0604
Annotation	L-Glutamic acid
Peak:m/z	Relative Intensity
52.27892	0.1
56.04762	0.2
56.05029	5.9
56.96558	0.3
60.04507	2.0
62.65611	0.1
64.32515	0.2
67.05479	0.2
69.07050	0.2
70.02901	0.2
70.06519	0.1
74.02409	0.7
82.32973	0.2
84.04488	100.0
84.08138	0.8
85.02887	2.3
85.04804	1.2
85.06520	0.3
88.03969	3.0
102.05520	20.2
102.09161	1.0
104.72994	0.2
106.04998	1.7
107.68555	0.2
113.06041	0.2
130.04977	13.8
130.08618	0.2
131.03323	0.3
131.05318	0.4
148.06000	4.0
148.09741	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0969
Annotation	N-Methyl 1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
54.60967	2.8
55.01855	6.7
55.05497	7.1
56.96547	19.8
57.03420	18.6
57.07067	41.8
58.44749	2.6
59.04993	31.4
65.03911	6.8
67.05502	41.5
69.07051	40.1
71.04967	5.5
71.07355	6.2
72.08117	11.4
72.38026	3.2
73.06556	3.2
76.73254	2.8
83.04961	3.4
84.04488	48.1
84.08125	15.6
85.02878	6.1
85.06527	79.6
86.09681	5.0
91.05444	4.4
92.05739	10.2
95.04945	26.7
102.05536	5.2
103.06921	5.6
103.07568	100.0
107.04919	4.3
112.07581	50.2
113.05977	20.0
120.05262	20.3
120.10181	14.2
121.02834	6.1
123.63539	3.0
130.05002	4.3
130.08603	43.0
131.07004	5.6
134.10930	3.0
135.74323	3.2
148.03847	13.2
148.04845	6.3
148.05882	12.4
148.07487	3.2
148.09616	38.5
149.02347	26.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.0234
Annotation	Unknow
Peak:m/z	Relative Intensity
54.81342	0.6
55.01866	0.6
55.05495	0.4
55.84874	0.4
60.45966	0.3
62.35794	0.3
65.03928	22.5
69.03429	0.4
70.05069	0.4
79.05467	1.7
85.02895	0.5
85.89931	0.4
91.05460	3.5
93.03384	8.1
93.07026	3.6
95.04891	0.4
98.03638	1.5
103.05457	0.5
105.06975	0.7
107.08592	2.7
111.04417	7.0
121.02835	38.1
121.03947	10.3
121.06467	2.1
121.10121	2.0
127.31914	0.4
131.08536	1.6
134.29602	0.4
144.14604	0.4
149.02321	100.0
149.05927	2.2
149.09624	1.0
149.13307	1.5
150.02596	0.7
167.03369	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	149.096
Annotation	4-Isopropyl-2,4,6-cycloheptatrien-1-one
Peak:m/z	Relative Intensity
53.03928	1.5
55.01854	11.3
55.05500	3.2
57.03423	1.4
59.04990	2.1
65.03926	12.3
67.05477	9.4
69.03399	1.9
79.05469	44.6
81.07035	3.0
83.47539	1.6
85.02885	2.1
86.97923	1.5
89.54236	1.5
89.82032	1.4
91.05456	34.6
92.08621	3.1
93.03400	2.0
93.07014	41.1
95.04919	3.1
103.05461	12.4
105.07004	45.1
107.04937	19.9
107.07872	2.7
107.08568	56.7
116.06172	2.9
119.08534	2.3
121.02815	15.6
121.03791	2.0
121.06464	9.0
121.10112	17.0
125.71856	1.5
129.06947	3.4
131.04880	15.6
131.08534	28.7
149.02307	39.1
149.05933	9.1
149.09586	100.0
149.13251	2.4
159.48936	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05503	11.4
56.96557	9.2
57.03424	2.3
64.92789	16.8
65.03925	3.1
67.05486	2.5
69.03414	13.6
70.00190	1.8
71.04984	3.3
79.05470	4.1
81.07073	2.0
83.04986	3.4
85.02898	4.2
86.94095	2.4
88.01805	2.6
91.05462	80.2
91.48206	3.2
105.07013	88.1
111.04472	3.7
117.06933	7.6
119.04922	61.8
119.08558	84.4
123.96433	41.1
128.64795	2.1
129.07027	2.4
147.04411	42.5
147.05478	4.7
147.08044	22.4
147.11674	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.1167
Annotation	Desmarestene
Peak:m/z	Relative Intensity
53.03929	1.4
54.02326	1.4
55.05507	19.9
56.96556	1.1
57.03417	1.0
64.16805	1.3
64.84354	1.5
64.92803	10.0
64.93088	1.5
67.05495	1.9
69.03425	11.0
69.03737	1.5
69.07037	2.6
73.05488	1.6
79.05449	8.7
81.07053	2.1
82.72533	1.2
84.04488	1.3
85.02880	1.5
85.11658	1.2
88.11501	1.0
91.04894	1.7
91.05457	41.2
92.01857	1.7
93.07000	2.0
94.72649	1.3
95.04993	1.3
100.48695	1.4
103.05431	2.2
103.88238	1.3
105.07008	100.0
107.04932	2.9
107.08542	2.5
117.06985	14.1
118.07764	2.6
119.04900	8.6
119.08551	83.5
121.92348	1.4
123.96428	18.4
129.06989	1.8
132.05659	1.5
132.09328	1.7
145.10059	2.3
147.04370	8.1
147.05443	2.1
147.08015	25.6
147.09079	2.1
147.11659	67.5
159.63126	1.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	148.0604
Annotation	Unknow
Peak:m/z	Relative Intensity
54.43816	0.1
56.05028	4.5
56.96543	0.1
60.04513	1.2
70.02937	0.1
71.90681	0.1
72.08146	0.1
74.02426	0.4
79.04984	0.1
84.04485	100.0
84.08121	0.7
85.02883	2.1
85.04816	0.8
85.06525	0.2
88.03970	1.5
92.08713	0.1
92.09198	0.1
92.10319	0.1
95.41926	0.1
100.02430	0.1
102.05516	21.4
102.09138	0.4
106.05017	0.9
106.83931	0.1
130.04971	15.6
130.08615	0.2
131.03313	0.2
131.05295	0.4
133.83147	0.1
137.94566	0.1
144.64658	0.1
148.06020	3.9
148.09647	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	147.1168
Annotation	Desmarestene
Peak:m/z	Relative Intensity
55.05503	6.8
55.05714	0.9
57.39621	0.7
59.28923	0.6
64.92767	0.7
67.05476	1.1
67.60668	0.6
69.03397	3.3
69.07041	4.5
74.21734	0.7
79.05486	1.4
91.05457	25.4
93.07044	1.5
103.05480	1.5
105.07008	47.6
107.08572	10.3
117.06992	7.8
119.04918	6.6
119.08556	100.0
120.08876	0.9
123.96450	1.0
131.08553	1.4
132.09341	6.2
142.25005	0.8
145.10091	6.2
147.04391	4.4
147.08037	9.5
147.11662	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	147.0651
Annotation	Succinic acid monoethyl ester
Peak:m/z	Relative Intensity
53.00288	2.2
55.01863	14.9
55.05500	5.2
56.05020	3.5
56.96548	2.4
57.03426	35.1
59.04987	10.3
59.54533	0.5
60.02120	2.6
61.02915	6.7
65.03923	1.2
67.05485	3.8
68.02622	2.8
68.99773	13.3
69.03413	69.3
71.01344	3.4
71.04974	9.8
72.41779	0.7
73.02897	13.5
73.06519	1.4
74.02407	0.8
74.51183	0.5
75.04451	8.1
76.55762	0.6
83.01320	65.3
83.04501	1.0
83.04961	10.0
83.06897	0.7
84.01569	1.0
84.02118	2.2
84.04485	65.6
84.08114	7.0
84.65294	0.6
85.02883	45.6
85.06535	1.1
86.06010	0.6
87.00801	6.9
87.04449	35.6
87.06375	1.1
88.04793	2.4
89.00741	0.7
91.00481	0.8
91.05449	7.4
97.02870	7.7
97.51434	0.7
98.01205	0.8
99.00253	0.7
99.04428	7.5
101.01739	1.9
101.02351	27.9
101.06003	7.5
101.07064	1.1
102.05506	7.6
102.09183	0.7
103.02422	0.7
104.02522	0.8
105.02172	0.9
106.51981	0.6
107.01771	1.2
109.51414	1.0
110.01286	0.5
111.00807	1.3
111.04417	7.4
119.03436	0.6
119.04906	8.6
121.03468	1.1
123.03223	0.8
129.01810	100.0
129.05423	1.2
129.08449	0.7
130.04968	20.8
130.08578	1.3
147.02901	6.8
147.04402	6.2
147.05473	1.2
147.06534	0.9
147.09558	3.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0647
Annotation	Unknow
Peak:m/z	Relative Intensity
52.79025	0.9
53.03935	1.4
55.01871	1.1
55.05502	3.5
57.03429	23.2
59.04985	1.7
60.20242	0.7
61.02920	1.8
64.92812	7.1
64.93099	1.0
66.14819	0.7
66.97063	0.7
69.03419	4.8
71.01339	1.2
71.04979	100.0
73.02538	0.9
73.02899	5.3
75.04449	1.8
83.04967	3.7
84.04507	1.0
85.02891	63.5
87.04469	1.9
91.05467	8.2
92.65033	1.1
105.07032	4.3
107.18330	0.9
111.04449	1.6
119.04939	5.6
119.08552	6.3
123.42288	0.8
123.96453	12.6
146.62585	0.9
147.04419	5.8
147.05495	1.3
147.08131	0.9
147.11681	8.3
147.57196	0.9
169.91600	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0649
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03938	2.0
53.16230	0.8
53.27309	0.8
54.24336	1.0
54.79387	0.8
55.05502	7.6
57.03144	0.9
57.03426	26.9
59.04995	1.7
61.02904	3.9
64.92795	4.3
67.05492	0.9
69.03415	4.9
69.07049	1.2
71.01318	2.3
71.04977	100.0
71.24289	0.9
72.26508	0.8
73.02905	4.8
75.04459	2.1
78.87994	0.9
79.05473	1.2
83.04958	3.9
85.02888	60.0
87.04456	2.0
88.03960	1.4
91.05457	15.6
93.07031	1.3
93.39857	0.8
96.32733	0.8
100.48701	1.0
105.07011	28.9
107.08614	1.6
111.04397	1.2
117.07032	1.3
119.04935	4.3
119.08565	32.3
123.96439	5.5
131.57909	1.1
145.10075	1.5
147.04372	4.0
147.05473	1.4
147.08051	1.1
147.11668	25.4
148.11191	2.1
155.64450	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.044
Annotation	5-Formylbenzofuran
Peak:m/z	Relative Intensity
65.03923	6.2
76.56069	0.7
86.93853	0.6
91.05456	81.3
94.55780	0.8
104.89703	0.7
119.04913	100.0
147.04388	69.8
147.05389	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	146.0924
Annotation	Unknow
Peak:m/z	Relative Intensity
55.01854	0.9
55.05485	1.0
56.96560	7.1
57.03418	2.7
59.59740	0.5
60.05635	20.4
61.02901	2.5
68.99774	29.8
69.03409	8.4
76.28757	0.6
82.06557	3.0
83.01311	2.8
83.04963	0.7
83.06077	2.9
84.04483	1.0
85.02865	3.3
85.76349	0.5
86.03207	0.8
86.06052	62.9
87.00811	12.9
87.04449	87.7
91.05447	3.4
97.99126	0.6
98.97547	0.8
100.07612	4.8
101.02332	1.1
101.05962	0.7
104.07084	18.9
106.53941	0.6
111.00207	3.3
111.04419	0.7
111.05547	9.6
111.63756	0.7
119.04936	4.2
120.00748	1.0
128.07127	1.2
128.08183	11.6
129.01807	29.6
129.06570	5.1
146.08217	3.5
146.09219	100.0
147.04359	2.6
147.09592	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	147.0287
Annotation	Oxoglutaric acid
Peak:m/z	Relative Intensity
51.45395	0.4
55.01848	2.0
55.05490	1.8
55.67251	0.4
56.96551	0.8
57.03421	4.6
57.59922	0.4
59.04987	0.6
60.05630	0.8
61.02914	8.1
63.79409	0.4
65.03936	1.6
67.05469	0.9
67.37381	0.4
68.99772	100.0
69.03413	4.3
71.01334	0.5
71.04954	0.4
73.02900	1.0
75.04453	0.5
83.01315	3.8
83.04941	3.8
84.04483	4.4
84.08091	3.2
85.02881	11.5
86.06045	2.5
87.00806	40.9
87.04435	4.1
87.06400	2.0
88.04759	1.6
91.05455	15.4
92.09283	0.7
99.84023	0.5
100.02489	0.7
101.02370	1.8
101.05987	2.4
104.07079	0.6
105.01814	0.5
111.00812	0.7
111.04411	1.0
119.03613	0.5
119.04913	25.3
129.01804	85.6
130.04984	2.2
130.08647	0.5
146.09286	2.1
147.04388	16.1
147.09633	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	146.0923
Annotation	4-Guanidinobutanoic acid
Peak:m/z	Relative Intensity
51.04229	0.5
55.01857	1.1
55.05492	2.8
56.05020	1.0
56.96547	4.6
57.03417	4.2
58.02945	0.6
58.69273	0.5
60.05349	0.8
60.05636	20.8
61.02887	0.8
67.05491	0.7
68.04991	0.8
68.99771	13.2
69.03414	8.0
70.03738	0.6
72.08123	0.9
73.02900	0.9
80.14832	0.5
81.03430	0.7
81.33604	0.6
82.03751	0.6
82.06563	1.2
83.01315	5.8
83.04949	2.8
83.06071	1.0
84.04483	1.3
84.08080	0.7
84.24809	0.5
85.02896	4.5
86.03203	1.3
86.06049	71.9
87.00802	5.8
87.04446	95.2
91.05460	8.6
99.40008	0.5
100.07558	3.4
101.02324	2.8
101.05988	2.1
103.99447	0.6
104.07082	18.7
111.00211	0.8
111.04391	0.8
111.05546	10.9
119.02683	0.7
119.04912	11.8
123.71329	0.5
128.07127	1.5
128.08160	14.3
129.01819	16.3
129.06583	4.2
133.80656	0.5
146.06052	2.0
146.08186	4.2
146.09212	100.0
147.02736	0.6
147.04373	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	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03945	13.0
55.01867	9.1
55.05488	2.3
56.96551	7.1
57.03431	16.8
58.06569	6.4
59.04978	2.1
59.07353	5.4
61.02911	20.4
66.41682	1.2
69.03412	38.9
70.52219	1.3
71.01320	1.3
71.04971	11.5
81.03387	21.7
83.01328	1.6
83.08596	6.3
85.02887	100.0
85.06517	8.0
90.03407	1.6
92.09197	1.8
93.30871	1.1
97.02864	33.3
99.04432	24.9
101.68695	1.2
103.03920	1.2
109.02853	14.4
121.61544	1.5
121.96616	3.1
127.03889	10.4
128.00742	40.7
144.61760	6.1
145.03398	7.4
145.04942	3.2
145.11913	1.9
146.05969	2.4
152.24669	1.4
157.89388	1.2
162.99069	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0859
Annotation	trans-4-Hydroxycyclohexanecarboxylate
Peak:m/z	Relative Intensity
53.00331	0.9
53.03925	5.8
54.53536	0.9
55.01857	6.7
55.05503	16.7
56.96550	2.2
57.03423	7.4
57.07059	3.7
59.04988	10.0
59.07359	0.9
61.02894	4.3
62.92968	2.4
67.05492	9.4
69.03410	13.3
69.07034	1.3
71.01313	1.0
71.04983	11.6
79.05481	5.3
81.03393	13.3
81.06583	1.7
81.07030	27.6
83.04927	1.6
83.08589	15.1
85.02885	47.4
85.06525	100.0
92.46465	0.9
97.02880	8.3
99.04436	27.8
99.08063	2.2
99.52674	1.0
103.03252	2.1
103.03917	55.3
106.11596	1.3
109.02843	1.5
109.06506	6.5
121.96621	7.3
125.56073	1.0
127.03909	10.4
127.07509	14.6
145.04962	5.0
146.05989	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	145.0496
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
52.14189	0.9
53.03938	13.7
54.82019	1.2
55.01866	12.8
55.05507	9.3
56.96550	12.9
57.03433	16.4
58.06587	9.8
59.04985	2.0
59.07371	13.3
60.08147	1.4
61.02909	15.3
62.92971	5.8
67.05483	1.6
67.51020	0.9
69.03411	45.6
70.06557	1.1
71.01347	1.8
71.04613	1.0
71.04978	22.6
72.04500	4.9
72.08154	1.5
73.02892	1.4
81.03397	40.0
81.07044	7.2
83.01346	1.0
83.08606	13.1
84.08125	1.5
85.02886	100.0
85.06535	10.2
86.06047	4.8
87.01687	0.8
87.04420	1.6
88.33743	1.1
89.74859	0.9
94.45576	0.9
97.02863	23.8
97.50039	1.1
98.97587	1.2
99.04429	56.0
99.06371	2.3
100.05093	5.6
100.07590	1.6
103.03914	13.8
109.02853	14.7
111.00240	2.2
112.01920	0.9
117.05405	0.9
119.01783	1.1
120.00733	2.4
121.61497	8.0
121.96589	8.4
127.03897	16.5
127.07578	1.5
128.00690	1.2
128.10707	2.4
133.01608	1.1
144.61751	10.8
144.98106	1.4
145.04984	8.0
145.62164	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.1019
Annotation	Stachydrine
Peak:m/z	Relative Intensity
50.29198	0.1
55.05490	0.2
58.06591	7.1
59.07367	0.3
60.08144	0.2
64.03300	0.2
70.06570	0.4
72.08140	0.3
84.08127	6.7
85.02872	0.2
92.63055	0.2
98.06017	0.4
98.09669	3.5
99.04410	0.3
102.05520	0.9
114.35888	0.2
121.61466	0.2
124.49756	0.2
128.07037	0.2
141.48390	0.2
144.10179	100.0
144.61795	0.6
151.03410	0.2
158.35626	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	144.102
Annotation	Stachydrine
Peak:m/z	Relative Intensity
53.03938	3.8
55.01871	1.5
55.05505	8.6
56.05020	5.5
56.55561	0.8
56.96562	0.8
57.03423	3.7
58.06595	6.5
59.07367	4.4
59.84204	0.8
60.95839	2.2
61.02922	1.3
62.92966	1.2
67.05501	1.6
69.03407	4.8
69.93077	0.8
70.06574	11.6
71.04977	2.1
72.08101	0.9
73.02921	1.2
74.80876	0.9
81.03402	5.0
81.06993	1.0
83.08605	1.2
84.04472	1.6
84.08128	100.0
84.95984	1.1
85.02880	13.3
85.06563	0.9
87.02647	1.4
97.02874	3.4
98.06020	21.5
98.09671	1.4
99.04443	6.8
101.05985	1.6
102.96850	2.1
103.00557	1.0
104.02903	1.3
109.02898	1.1
116.07079	1.8
120.97882	5.5
121.00834	1.6
121.01628	8.7
121.61496	6.0
121.96603	4.5
126.05499	1.4
126.09127	14.0
127.03897	1.3
138.98888	4.1
139.01790	6.5
139.02702	4.3
144.02109	1.1
144.03181	2.1
144.04733	1.7
144.06563	5.6
144.08112	2.2
144.10165	21.4
144.61760	8.7
145.04797	1.2
161.68652	1.1
162.04338	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	145.0496
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
53.03944	14.2
55.01860	11.4
55.05498	5.7
56.96554	2.3
57.03430	17.1
58.06574	6.4
59.07363	5.7
61.02644	0.9
61.02921	21.4
69.03417	38.7
71.01345	1.3
71.04984	12.4
73.02890	1.7
81.03403	34.9
81.07059	3.7
83.01309	2.3
83.08607	10.5
84.08099	1.6
85.02892	100.0
85.06527	7.2
85.08463	2.3
91.28472	1.0
97.02873	28.2
99.04435	30.2
100.07648	1.4
103.03905	4.9
109.02856	9.9
121.61508	4.6
121.96606	6.8
127.03887	15.3
127.07529	2.1
128.00728	1.8
144.61711	4.2
145.04955	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	145.0495
Annotation	2-Methyleneglutarate
Peak:m/z	Relative Intensity
51.62988	1.1
53.03934	12.5
54.81547	1.1
55.01864	20.6
55.05496	7.2
56.96546	8.3
57.03428	22.2
58.06584	22.0
59.07375	19.6
60.08128	2.6
61.02896	6.8
66.66035	1.3
68.99784	1.1
69.03413	62.3
71.01330	2.8
71.04980	17.2
72.04484	1.4
72.08116	1.7
73.02886	5.9
73.69438	1.2
81.02934	1.9
81.03394	40.6
81.03862	1.9
83.00736	1.6
83.01303	2.7
83.04949	1.9
83.08598	11.8
84.08117	2.1
85.02887	100.0
85.06493	1.5
86.06047	7.9
87.04432	10.0
97.02875	21.6
98.09629	2.0
99.03847	2.1
99.04432	50.2
99.10011	7.1
101.02357	2.1
109.02872	12.6
111.00311	1.3
121.03450	1.6
121.61512	16.5
122.11665	6.0
127.03876	20.7
129.30600	1.7
144.61749	18.2
145.04977	10.9
145.10522	25.4
145.11899	8.1
146.09230	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
54.82079	0.2
55.01865	0.4
55.05511	3.5
56.12999	0.2
56.96558	37.2
57.07067	3.5
58.50509	2.3
59.04993	0.4
60.95841	1.4
61.19712	0.2
65.03929	0.2
67.05504	1.3
67.51052	10.0
69.03424	2.0
69.07052	1.3
69.77730	0.3
70.01309	4.2
70.06569	0.3
71.04975	15.9
72.04471	0.3
73.06525	2.4
74.97601	0.5
76.51567	8.9
79.01835	66.1
79.05484	1.2
79.52008	3.5
81.07047	1.1
83.04971	2.0
83.08614	1.7
85.01839	0.3
85.06529	9.5
85.52092	1.6
88.02355	100.0
88.52538	5.3
89.02583	1.2
90.52619	7.5
95.03144	0.5
97.02873	10.9
97.06513	1.1
97.10149	3.4
97.53059	0.4
98.06053	0.6
99.53140	10.2
100.03304	0.3
102.03397	0.4
102.96864	0.5
107.08570	8.1
111.03869	0.4
119.01943	0.3
120.01985	0.4
120.97881	0.6
125.02350	0.4
125.09612	5.8
128.06230	0.5
138.98923	1.7
139.01784	0.7
143.03448	2.0
143.08401	0.4
143.10674	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	144.0325
Annotation	Unknow
Peak:m/z	Relative Intensity
53.33770	0.2
56.96565	0.3
58.73198	0.2
60.95843	2.3
62.05079	0.1
69.01894	0.2
70.06570	1.5
71.04984	0.2
78.99747	0.7
84.01197	0.2
84.04496	0.9
84.96033	1.1
84.99586	0.4
85.02899	0.8
86.44390	0.2
95.34426	0.2
97.00800	1.1
98.06033	3.3
99.04446	0.4
100.02492	0.4
102.02220	1.0
102.96853	4.3
102.97489	0.3
103.00610	11.7
103.01302	0.4
103.02452	0.4
104.58421	0.2
118.03506	0.9
119.01899	3.1
120.01968	5.8
120.03258	1.2
120.97886	4.6
121.01636	100.0
123.02038	0.4
126.02166	1.2
137.02887	1.6
138.03018	3.4
138.98946	6.8
139.01814	4.5
139.02673	60.8
141.03062	0.2
142.03477	0.7
144.03203	34.8
144.06523	1.2
144.08011	0.3
145.03464	0.3
157.00003	1.8
160.04475	0.2
162.04254	18.8
163.04422	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	3-METHOXYCATECHOL
Peak:m/z	Relative Intensity
51.84350	0.2
53.03938	2.1
54.81545	0.2
56.96544	0.6
67.05493	1.2
71.04966	0.5
81.03400	26.8
85.06500	0.3
91.83587	0.2
95.04930	1.2
95.08572	0.4
98.97549	1.5
99.04425	0.4
99.97898	1.4
100.02447	0.4
103.21819	0.2
109.02861	100.0
113.05984	1.1
116.58807	0.2
116.98594	1.8
117.98927	1.3
119.01883	0.6
123.08013	0.3
127.03903	1.3
134.99623	0.4
135.99973	0.4
137.02960	0.5
141.05461	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	142.0349
Annotation	Unknow
Peak:m/z	Relative Intensity
65.61203	0.4
72.18970	0.4
82.99828	0.9
92.08797	0.6
100.02465	0.5
101.00867	22.9
119.01895	100.0
120.02001	0.6
120.96883	0.4
124.02415	1.0
130.21330	0.4
137.02934	34.6
142.03476	33.4
160.04521	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	143.1067
Annotation	Unknow
Peak:m/z	Relative Intensity
55.05498	4.3
56.96559	36.2
57.07069	3.0
58.50515	3.1
59.04980	0.4
60.95835	1.8
61.00784	0.3
67.05490	1.4
67.51052	10.5
69.03428	1.0
69.07060	1.1
69.97961	0.2
70.01312	3.9
70.06588	0.4
71.04977	17.8
71.05371	0.6
73.06544	2.8
74.97604	0.5
76.51567	9.5
79.01836	66.5
79.05449	0.9
79.52024	3.2
80.02062	0.4
81.78687	0.2
83.04971	2.0
83.08598	1.6
85.06528	8.7
85.52093	1.5
88.02357	100.0
88.52562	3.9
89.02571	0.3
90.52624	7.1
91.02786	0.6
91.05453	0.3
94.02348	0.3
97.02869	11.7
97.10136	3.3
98.06057	0.4
99.53140	9.5
100.03300	0.5
102.03372	0.4
102.96837	0.4
105.07011	0.4
106.15320	0.3
107.08582	7.6
108.53650	0.3
110.48876	0.3
111.03926	0.6
120.01946	0.5
120.97932	0.6
125.02346	1.0
125.09597	5.6
128.06213	1.2
138.98901	1.4
139.01819	0.9
140.39935	0.2
143.03365	2.2
143.08510	0.5
143.10684	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	139.0389
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03941	6.7
54.81769	0.6
55.05503	0.8
56.45693	0.5
56.96557	10.0
57.93066	0.4
65.03918	3.8
67.05490	2.6
68.99757	0.6
74.09458	0.5
77.03912	0.8
80.53076	0.5
82.68806	0.6
85.87388	0.6
93.03342	0.7
95.04942	100.0
98.97552	14.4
105.04505	4.1
111.04431	4.3
116.97228	0.8
116.98593	12.4
121.02836	57.3
121.03880	2.4
121.06487	0.9
130.04343	0.6
133.65344	0.6
134.99628	9.2
139.03879	24.2
139.04909	1.2
145.03650	0.6
153.00742	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0389
Annotation	Sodium 4-hydroxy-benzoate
Peak:m/z	Relative Intensity
51.32738	0.5
53.03937	7.2
54.72257	0.5
54.81922	0.6
55.01859	0.8
56.96555	10.8
57.30071	0.5
65.03911	3.4
67.05479	2.2
68.99751	0.5
73.38807	0.5
76.56458	0.6
77.03896	1.0
77.51095	0.5
92.64301	0.6
93.03345	0.9
95.04942	100.0
98.97546	13.7
105.04478	4.5
111.04420	4.4
116.97234	0.6
116.98589	11.7
121.02840	50.0
121.03893	2.9
121.06474	0.8
133.10159	0.5
134.99615	9.3
139.03883	24.3
139.07523	0.7
139.11154	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.1117
Annotation	5,6-Dimethyl-5-norbornen-exo-2-ol
Peak:m/z	Relative Intensity
55.05498	10.0
56.96561	57.0
59.04990	57.6
65.03932	1.6
67.05495	12.2
69.03376	1.8
69.07044	3.3
75.33522	1.6
76.61903	1.8
79.05481	12.9
81.07043	34.8
83.04940	3.1
91.05476	2.7
93.05245	2.3
93.07028	20.9
95.04916	2.8
95.08589	76.7
97.06493	16.4
97.10093	2.2
98.97568	73.2
98.98206	3.5
102.12364	1.7
103.05406	2.4
105.07025	17.8
111.04430	7.8
116.97319	1.9
116.98602	74.7
121.04765	7.3
121.10122	100.0
121.76380	1.7
123.08058	1.8
133.07631	2.1
134.99641	42.2
139.03827	1.8
139.07469	1.8
139.11169	50.7
139.12247	3.3
153.00682	7.9
156.97585	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	141.0546
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03942	2.2
53.40680	0.2
56.34889	0.2
56.96545	0.9
57.07029	0.2
67.05489	0.4
71.04954	0.3
81.03396	23.9
85.06550	0.2
95.04932	1.6
95.08592	0.3
98.03638	1.0
98.97559	1.1
99.97908	0.8
100.02467	0.3
106.05462	0.2
109.02858	100.0
110.03200	0.3
113.05997	0.5
113.43368	0.2
116.98586	0.4
117.98987	0.5
118.03552	0.3
119.01905	0.2
127.03896	1.1
134.99654	0.5
135.99980	0.5
137.02890	0.3
141.05460	3.3
151.31265	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	139.0026
Annotation	Unknow
Peak:m/z	Relative Intensity
50.14283	0.4
55.01869	7.8
55.05500	0.8
56.96569	0.8
64.84129	0.5
65.03909	0.6
67.01859	0.7
68.99777	100.0
83.04971	0.9
93.04529	2.7
95.04914	0.5
111.00790	35.4
111.04437	6.0
111.06327	0.6
112.03985	1.0
121.02834	1.0
121.03969	2.2
129.01814	2.1
139.00208	4.1
139.03984	0.9
139.04906	1.0
139.05875	6.4
140.03403	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	138.0549
Annotation	Trigonelline
Peak:m/z	Relative Intensity
52.97843	0.1
53.03928	0.3
60.05321	0.1
65.03918	0.3
67.05479	0.2
67.73325	0.2
92.04975	2.9
93.05762	0.3
93.10630	0.2
94.06541	11.5
96.04473	1.8
103.61611	0.1
110.06026	8.4
121.06486	0.2
138.05478	100.0
139.05809	0.4
154.04929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0961
Annotation	Unknow
Peak:m/z	Relative Intensity
51.41482	0.7
55.53218	0.5
56.18945	0.5
56.67537	0.6
57.05794	0.5
58.65691	0.5
59.68400	0.6
67.05492	10.5
79.05455	1.3
80.38483	0.6
80.57105	0.6
81.07049	4.4
86.93446	0.6
87.70787	0.7
91.05464	4.8
93.06995	1.2
95.04959	1.5
95.08554	5.0
96.18315	0.5
107.04933	7.4
109.10143	22.3
113.00169	0.6
119.08562	7.5
121.06502	4.0
122.03615	1.0
122.07269	47.4
135.08023	1.5
137.02342	1.1
137.09596	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0808
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03932	4.1
54.60056	1.0
55.01857	1.8
55.05268	1.9
55.05507	37.5
55.63280	0.9
56.02719	1.0
56.96550	6.8
57.03429	52.2
59.04992	39.4
61.02921	22.9
65.03911	1.4
71.04975	26.6
73.06512	2.0
83.04974	39.8
91.05463	28.2
98.97573	1.1
101.05997	38.0
101.06621	2.2
119.03590	1.3
119.04925	10.9
119.06998	1.6
120.00780	1.5
120.03864	5.2
122.03669	1.0
137.04504	12.2
137.05713	17.2
137.06642	100.0
137.61023	1.3
138.04892	2.7
145.86998	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	4-Propylphenol
Peak:m/z	Relative Intensity
51.18045	0.6
54.55882	0.7
66.77306	0.6
67.05495	14.4
71.99936	0.6
81.07042	6.8
88.76327	0.6
90.25551	0.6
91.05473	5.3
92.09301	0.9
93.07015	1.1
94.45940	0.7
95.04937	1.4
95.08560	6.0
97.57203	0.7
100.26460	0.7
107.04945	7.3
109.10143	22.8
119.08564	10.2
121.06483	3.6
122.07263	56.2
131.82649	0.7
135.52086	0.6
137.05933	1.6
137.09592	100.0
155.20227	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.096
Annotation	2-Isopropylphenol
Peak:m/z	Relative Intensity
53.03936	1.4
55.01868	1.1
55.05499	8.8
56.69442	0.7
56.69742	0.5
57.03408	0.8
65.03920	2.9
67.05491	42.8
69.03400	3.3
69.07033	2.8
70.38493	0.7
79.05472	8.0
80.11357	0.7
80.49658	0.6
81.03401	3.1
81.07037	15.3
83.04960	1.5
85.68236	0.7
91.05460	41.2
91.61979	0.6
93.07024	13.5
94.04180	2.7
94.07790	0.8
95.04951	17.3
95.08582	15.0
103.05512	0.9
104.06180	0.7
105.06971	0.6
107.04945	10.5
107.08575	3.3
109.06504	43.5
109.10139	40.8
117.06981	2.5
119.04913	6.7
119.06033	1.1
119.08559	16.4
121.06488	3.7
122.07266	36.8
135.08073	1.3
137.05971	14.4
137.09595	100.0
139.77559	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.03927	0.5
53.34137	0.3
54.46086	0.3
54.96089	0.4
55.05496	0.5
55.75204	0.5
59.47069	0.4
62.71540	0.4
65.03922	0.6
65.04276	0.4
65.13220	0.4
66.04690	1.7
67.05476	2.2
76.40879	0.4
79.05463	2.3
81.07048	3.2
91.05441	3.5
92.05770	0.6
93.07017	0.6
94.04162	18.1
95.04951	0.9
95.08582	2.3
99.33328	0.4
107.04943	2.2
122.03616	36.3
137.05946	100.0
137.09567	2.4
138.06296	0.5
145.28996	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0808
Annotation	2-C-Methyl-D-erythritol
Peak:m/z	Relative Intensity
50.69316	1.3
51.91165	1.5
53.03926	11.8
53.04155	1.5
55.01851	11.1
55.05504	70.6
56.15201	1.6
56.96561	14.9
57.03428	82.7
58.06573	2.7
59.04720	2.4
59.04989	44.5
61.02911	30.5
61.16429	1.6
61.38094	1.5
61.68713	1.5
62.85506	1.8
65.17698	1.6
71.04608	3.4
71.04974	67.4
73.02886	8.4
83.04965	83.9
90.70033	2.0
91.00514	2.4
92.09296	3.1
92.63460	1.7
94.06535	11.9
94.15665	1.9
101.05997	100.0
109.06438	1.8
110.06005	8.6
113.43920	1.8
114.00753	2.5
137.02341	1.9
137.05945	8.6
137.10748	2.4
138.05473	89.4
146.99651	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	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
55.05482	0.9
65.03924	6.3
67.05492	7.4
79.05467	1.8
80.60499	0.4
81.07040	5.9
88.68938	0.4
91.05459	100.0
92.09360	0.4
92.92223	0.5
93.07047	0.9
94.04156	0.7
95.04942	2.6
95.08589	4.8
99.75887	0.4
107.04922	2.6
109.06503	9.0
109.10137	5.0
119.04919	40.1
119.08568	2.4
121.06537	0.6
122.03607	1.7
122.07260	5.0
137.05949	57.4
137.09586	15.4
137.67422	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0595
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
53.72972	1.7
64.13217	1.6
64.33453	1.9
66.21217	1.8
76.07564	1.5
79.05457	3.5
81.07012	1.5
91.05475	2.7
94.04167	19.5
98.48874	1.8
114.37195	1.7
122.03629	43.1
137.05951	100.0
137.09703	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0597
Annotation	Toluate
Peak:m/z	Relative Intensity
50.63399	0.7
55.01812	0.9
55.05505	5.9
56.46613	0.5
56.96530	1.4
57.03426	8.3
59.04995	6.8
61.02879	3.5
61.64158	0.6
64.33866	0.6
65.03930	5.4
68.43295	0.6
71.04975	5.8
79.05434	0.9
81.06992	3.0
83.04950	6.3
91.05459	100.0
92.05743	0.9
94.04033	0.6
101.06016	6.7
107.04793	0.6
109.06448	3.7
119.04916	42.5
129.53183	0.7
137.04482	4.8
137.05864	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	136.0618
Annotation	Adenine
Peak:m/z	Relative Intensity
51.15486	0.1
53.36972	0.2
56.96545	0.2
63.18742	0.1
67.06800	0.1
91.05455	0.3
94.04022	1.8
94.96478	0.1
109.05109	0.3
119.03527	6.0
136.06163	100.0
137.04552	4.2
137.06589	0.2
143.20566	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	137.0596
Annotation	3-Hydroxy-5-methylbenzaldehyde
Peak:m/z	Relative Intensity
50.34617	0.4
55.01852	0.8
55.05518	0.5
56.96540	1.7
63.67892	0.4
65.03920	0.7
66.04694	1.8
67.05477	1.7
79.05465	4.5
81.03400	0.5
81.07043	3.9
82.28091	0.4
91.05462	4.8
93.07005	1.0
94.04167	16.4
95.04950	1.5
95.08572	2.5
107.04975	0.4
109.06487	1.9
109.10119	0.9
114.21867	0.4
122.03623	33.4
137.02335	2.8
137.05951	100.0
137.13232	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.03927	1.6
55.01863	0.6
55.05508	3.7
57.03423	0.4
61.65099	0.4
65.03925	1.5
67.05502	0.6
69.07063	0.6
79.05473	14.5
81.07018	0.5
91.05457	18.4
93.07024	21.6
95.04953	3.9
98.97562	0.6
105.07007	11.5
107.04940	0.7
107.08576	100.0
108.08918	0.6
109.06489	5.2
115.05472	0.7
116.98603	0.5
117.07028	0.7
119.06059	2.1
119.08564	0.9
135.04372	1.4
135.08032	16.7
135.11670	13.9
135.12679	0.6
135.89778	0.3
136.02142	1.5
136.06201	0.4
137.09555	0.3
147.40215	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
52.55389	0.8
53.03927	1.2
55.05489	6.7
55.05727	0.7
69.07054	1.9
71.02967	5.7
79.05469	15.4
80.03468	5.1
81.07018	1.5
90.55479	0.9
90.83530	1.0
91.05450	29.1
92.89885	0.9
93.07020	50.4
95.04933	6.2
100.00612	1.4
103.76534	0.9
105.07011	12.7
107.08573	100.0
109.06492	7.6
117.07028	1.2
119.06029	2.4
119.08558	6.3
120.09295	1.2
135.06718	1.2
135.08020	5.2
135.11673	36.8
136.02109	8.4
136.06133	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	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
55.05505	3.6
55.12201	2.0
75.91216	2.5
79.05486	15.4
91.05456	39.4
92.08663	8.7
93.07014	51.3
95.04971	4.0
98.31062	2.5
105.07002	19.7
107.08572	100.0
108.46396	2.6
109.06535	3.2
119.06051	3.3
119.08537	18.7
120.09312	3.5
135.08034	6.1
135.11676	66.6
136.02174	2.8
144.24117	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	135.0441
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03936	1.2
56.96550	0.4
68.36954	0.3
77.03896	0.6
79.05470	19.0
79.82854	0.3
89.03934	0.4
91.05450	2.0
93.07011	1.3
95.04935	2.9
98.97578	2.3
107.04935	5.5
107.08539	2.3
116.98614	2.0
119.60235	0.3
130.50496	0.3
133.02821	3.1
134.99646	0.8
135.04387	100.0
135.11612	0.5
136.04790	0.3
143.52267	0.3
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.0441
Annotation	Phenylglyoxal
Peak:m/z	Relative Intensity
53.03930	0.9
53.53811	0.3
56.96563	0.6
60.62456	0.4
65.40073	0.5
66.44560	0.5
71.49509	0.4
74.89501	0.4
79.05478	19.9
79.96230	0.4
81.99886	0.4
83.27366	0.4
91.05457	1.9
93.07043	0.6
95.04929	3.0
98.97569	1.8
107.04935	6.1
107.08562	2.5
116.98567	2.3
117.07019	0.7
119.79261	0.5
125.86459	0.5
128.05792	0.4
133.02824	2.3
134.99651	1.1
135.04396	100.0
136.02115	0.5
136.04739	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	135.1168
Annotation	o-Cymol
Peak:m/z	Relative Intensity
53.00301	1.0
53.03937	2.3
55.05499	5.9
55.65503	1.1
56.96563	8.8
57.03418	1.9
59.04983	1.5
61.31680	1.1
64.33304	1.3
67.05492	1.1
69.07052	1.2
79.05470	19.7
81.07029	1.8
88.05857	1.2
89.03873	2.0
91.04954	1.6
91.05468	26.2
93.07021	60.8
95.04936	7.9
98.97556	22.4
99.89703	1.2
105.07005	12.6
107.04924	9.4
107.08572	100.0
109.06492	5.7
116.98593	29.9
117.03322	1.4
117.06951	1.6
119.06058	1.9
119.08551	6.7
120.09336	1.4
134.99628	29.4
135.04425	7.7
135.05391	1.3
135.08076	2.1
135.11667	47.4
136.02110	13.7
136.06158	7.9
136.07623	1.1
153.00740	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	134.9964
Annotation	Unknow
Peak:m/z	Relative Intensity
51.80644	0.4
54.81253	0.5
56.96555	26.9
70.94158	0.4
71.95242	2.8
81.55720	0.6
98.97561	100.0
100.02478	0.5
107.43108	0.4
116.98595	97.8
121.01579	0.9
134.99632	80.5
135.06633	0.8
153.00684	19.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	Tetralin
Peak:m/z	Relative Intensity
55.05507	18.1
56.48145	0.6
64.63583	0.7
67.05505	0.7
69.07049	1.7
79.05448	3.1
87.10046	0.9
88.02208	5.4
89.00230	1.2
91.05462	18.8
93.07012	3.0
96.60144	0.8
97.10139	3.2
98.00739	0.9
103.05448	1.5
105.07012	51.9
107.08526	1.0
115.05462	2.7
117.06992	4.3
118.07838	5.5
118.08503	0.7
120.71989	0.8
131.08516	6.0
133.06476	1.2
133.10104	100.0
146.72375	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
53.03931	0.5
55.05498	1.0
57.32581	0.4
60.57877	0.4
70.59154	0.4
73.04496	0.4
79.05470	2.4
84.19463	0.4
88.02216	0.5
91.05450	7.3
91.09399	0.4
93.07013	2.5
95.04952	0.5
95.43864	0.4
97.18195	0.4
103.05452	0.8
105.07010	26.6
115.05450	2.8
116.76358	0.4
117.06979	3.6
118.07769	4.3
131.08548	4.8
133.10104	100.0
134.10413	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	133.1012
Annotation	alpha,4-Dimethylstyrene
Peak:m/z	Relative Intensity
54.16284	0.7
55.05500	1.0
55.08280	0.7
71.02173	0.9
72.75443	0.8
76.82344	0.8
79.05479	1.5
79.84616	0.7
89.51643	0.8
91.05449	9.1
93.07029	3.1
103.05347	1.3
105.07018	28.6
115.05434	3.9
117.07021	1.8
118.07783	3.4
131.08540	4.5
133.10107	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	134.0811
Annotation	1,4-Dideoxy-1,4-imino-D-arabinitol
Peak:m/z	Relative Intensity
51.35323	0.2
54.32044	0.2
54.81546	0.2
55.01863	29.6
55.05502	4.8
56.05026	29.6
56.96542	0.4
57.03424	1.3
57.22238	0.2
58.06588	2.1
68.05025	0.4
69.03416	2.0
70.06572	30.1
71.04602	0.4
71.04971	8.3
72.08131	9.9
73.02901	2.0
74.02415	4.1
74.06041	0.6
85.02878	0.3
88.02662	0.3
88.03952	1.1
88.07607	6.2
90.08634	0.3
90.09167	9.1
98.06028	100.0
99.04422	5.3
100.02460	0.3
101.00843	0.3
102.09155	6.5
116.07065	19.6
117.05441	1.3
118.03475	0.3
119.01892	1.1
131.01874	0.5
134.08096	5.5
134.11732	48.4
142.03447	1.1
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03901	0.5
54.80983	0.5
54.89831	0.4
55.05489	0.5
56.96544	3.5
57.03424	1.0
57.07069	0.6
57.34854	0.5
60.04506	1.2
64.95769	0.5
67.51059	0.8
69.07053	0.8
71.04955	2.3
72.93747	2.9
76.51556	4.1
77.99903	0.7
85.02879	0.8
85.04819	1.0
85.52105	4.6
86.09647	0.8
87.00449	14.8
87.48063	0.5
88.00459	10.1
88.02349	3.2
91.05458	42.9
95.08574	2.1
96.00942	3.9
96.51010	0.6
97.00980	20.3
97.02859	3.3
98.51209	2.6
99.51237	5.0
103.05447	3.0
106.01506	4.3
108.51761	2.5
113.96374	5.8
115.05449	3.5
115.96419	4.7
116.06214	14.6
116.97183	1.0
129.06979	8.8
130.15866	0.8
131.08542	100.0
131.16226	3.6
131.97433	5.3
133.06514	0.8
133.97459	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	131.0855
Annotation	Unknow
Peak:m/z	Relative Intensity
52.25972	0.6
53.13139	0.7
54.01630	0.8
56.96565	6.7
57.03403	0.9
60.04506	1.8
63.37717	0.7
71.04973	1.2
72.93770	6.7
76.51575	7.0
79.01809	1.1
85.02852	1.2
85.04808	1.8
85.52113	7.8
86.09715	0.9
87.00448	35.5
87.50524	0.9
88.00460	17.0
88.02359	8.6
91.05456	42.4
95.08574	1.0
96.00975	9.5
97.00970	29.3
97.02864	4.7
98.51221	3.6
99.51254	7.6
103.05460	7.0
105.92237	0.7
106.01508	1.5
108.51745	3.4
113.09637	0.9
113.96382	13.4
114.70541	0.9
115.05414	1.3
115.96414	5.5
116.06199	11.0
116.97216	1.3
129.06953	8.8
131.04901	1.2
131.08533	100.0
131.16301	1.0
131.97412	8.9
133.97438	5.0
137.11363	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	132.1019
Annotation	Leucine
Peak:m/z	Relative Intensity
57.56754	0.2
64.33694	0.3
65.88976	0.2
68.50384	0.2
69.07059	0.6
73.80911	0.2
84.07563	0.3
86.09692	100.0
87.10016	0.6
102.26225	0.2
125.78667	0.3
132.10176	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	131.0703
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
53.00291	1.4
57.03422	7.5
57.07067	58.1
59.04989	2.0
65.03925	2.8
67.05493	100.0
69.07050	5.2
69.40523	1.1
71.04977	17.9
85.06534	21.7
95.04947	84.6
97.00971	1.5
113.05986	44.7
131.07013	13.1
139.31148	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	131.0703
Annotation	5-Oxohexanoic acid
Peak:m/z	Relative Intensity
53.00294	1.1
54.36875	1.1
56.96544	2.9
57.03429	9.6
57.07065	57.2
59.04972	2.5
60.58392	1.3
65.03912	8.0
67.05492	100.0
69.03422	2.1
69.07043	7.4
71.04657	1.4
71.04980	22.3
72.79568	1.4
72.93752	2.2
82.48550	1.4
85.02872	3.1
85.04831	2.2
85.06519	24.5
86.09700	1.9
88.00433	1.8
95.04945	79.2
97.00979	6.3
113.02348	2.1
113.05994	52.1
113.07907	6.8
115.96494	1.3
131.03406	1.6
131.06113	1.3
131.06998	13.1
131.08937	2.7
131.11850	1.5
137.32523	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0862
Annotation	DL-Pipecolinic acid
Peak:m/z	Relative Intensity
56.05023	2.0
69.03404	0.2
78.52379	0.2
82.88162	0.2
83.69394	0.2
84.08121	100.0
85.08440	0.3
87.13793	0.2
87.72560	0.2
92.91685	0.2
112.07571	1.2
130.08607	26.3
146.56073	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.159
Annotation	Octylamine
Peak:m/z	Relative Intensity
57.07067	34.3
72.69201	0.5
74.09697	23.3
75.80278	0.5
84.04490	4.7
84.08123	0.7
87.00443	2.7
96.00980	0.6
112.07600	2.3
113.91016	0.6
130.06519	0.9
130.08679	1.0
130.15894	100.0
130.77519	0.6
135.57968	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1118
Annotation	Sulcatone
Peak:m/z	Relative Intensity
53.03938	26.0
55.01863	8.3
55.05497	13.9
56.96556	3.6
57.03426	12.3
57.07061	2.0
59.04985	2.0
67.05492	56.0
67.93553	7.9
69.03066	2.2
69.03416	34.5
69.07054	57.7
71.01335	3.8
71.04977	31.0
78.78891	1.5
79.05470	8.5
81.03399	99.6
81.07042	29.4
82.06534	2.3
83.04972	7.3
83.08612	6.7
84.01543	16.2
84.08136	2.9
85.02892	2.9
85.06522	4.0
85.94585	2.2
87.61755	1.5
93.02069	10.1
97.02867	7.7
97.32771	1.7
99.04436	10.5
109.02860	34.0
109.06500	9.9
109.10143	100.0
109.65778	1.5
127.03891	60.5
127.07568	6.2
127.11172	28.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	129.091
Annotation	4-Penten-1-yl acetate
Peak:m/z	Relative Intensity
50.17286	0.5
53.00283	1.0
55.01861	1.5
55.05503	1.5
57.03428	87.2
59.04950	0.6
67.05493	2.6
69.03413	1.5
69.07055	100.0
69.23885	0.6
71.04979	4.7
79.05473	10.1
79.78748	0.5
80.83984	0.6
81.07027	1.5
83.04919	0.9
84.04509	1.2
85.02892	1.4
86.00692	0.9
95.04968	0.9
97.06510	56.9
111.08074	3.1
129.09096	41.3
146.22739	0.7
148.00458	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	130.0651
Annotation	Quinoline
Peak:m/z	Relative Intensity
54.81636	0.2
56.05016	1.0
57.07068	1.4
58.87274	0.1
63.03026	0.1
64.33317	0.2
68.95267	0.3
69.03415	1.9
69.07024	0.3
74.02409	0.3
74.09709	0.7
79.01223	0.2
84.04488	22.7
84.08131	4.1
87.00439	3.4
88.95222	0.2
95.04986	0.2
96.00954	1.0
98.51200	0.4
103.05453	0.3
112.07584	6.5
113.96387	1.0
116.48138	0.2
122.78703	0.2
130.04939	3.5
130.06500	100.0
130.15874	3.9
131.06827	0.4
131.97400	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.1119
Annotation	Unknow
Peak:m/z	Relative Intensity
51.94094	0.7
53.00293	1.9
53.03942	21.1
55.01856	4.2
55.05493	3.6
56.57832	0.8
56.96554	5.2
56.96799	0.6
57.03427	8.1
57.07062	1.3
65.03886	0.7
67.05487	5.1
67.93560	8.8
69.03071	1.0
69.03420	20.6
69.07048	1.8
70.85912	0.7
71.01340	5.1
71.04978	37.2
79.05482	8.7
81.03400	100.0
81.06595	1.4
81.07044	26.3
82.06574	1.0
83.01368	0.9
83.04965	0.9
83.08632	0.8
84.01558	3.7
85.02878	5.2
85.06531	6.7
85.94580	1.7
92.08665	1.1
93.02060	1.9
97.02866	3.9
99.04436	7.9
99.08084	4.6
103.95636	0.9
109.02145	1.5
109.02864	32.1
109.06503	11.1
109.10132	5.7
118.94358	1.0
127.03894	40.0
127.07530	8.3
127.08457	1.0
127.11172	17.7
140.95117	1.7
148.97295	0.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	124.0244
Annotation	Unknow
Peak:m/z	Relative Intensity
62.97009	0.4
79.62358	0.4
82.99815	0.7
83.01488	0.4
100.02429	0.7
101.00858	19.3
101.02544	4.0
119.01893	100.0
119.03603	2.1
120.01969	1.1
137.02936	39.7
142.03467	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	126.0914
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03923	0.7
54.82203	0.3
55.05503	14.9
56.05019	1.9
57.04719	0.2
69.03402	2.0
70.06570	3.4
79.05468	4.2
81.03384	1.4
81.07034	14.7
81.85442	0.3
83.08607	6.5
84.04475	0.6
84.08111	1.3
89.48373	0.3
91.05453	1.5
92.09283	0.6
93.05757	1.8
96.04473	2.0
97.05249	9.6
98.06028	7.3
98.09663	5.7
106.35580	0.3
108.04458	0.5
108.08102	10.5
109.06496	18.2
111.06864	0.3
126.09124	100.0
127.03929	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02374	0.4
53.00290	0.4
53.03939	21.9
55.01866	3.9
55.05503	0.6
56.96560	0.7
57.03423	2.3
69.03415	24.7
71.01336	5.4
71.04976	5.4
81.03399	100.0
81.07043	0.6
82.37513	0.3
83.01317	1.5
83.04980	0.5
85.02884	4.1
85.05149	0.4
86.03562	0.5
87.88705	0.4
95.01322	0.4
97.02857	3.3
99.04439	6.1
103.17821	0.3
109.02860	27.8
109.07610	0.5
110.14323	0.4
127.03892	29.3
127.06135	2.5
127.07178	2.1
127.08634	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	1,2,3-Trihydroxybenzene
Peak:m/z	Relative Intensity
51.02377	0.7
51.40469	0.3
53.00285	0.5
53.03941	19.9
55.01868	3.7
55.05501	1.7
56.96549	2.4
57.03184	0.4
57.03427	3.7
67.05492	0.8
67.93548	3.6
69.03414	17.7
71.01337	5.8
71.04981	7.5
72.08146	0.6
79.05438	0.4
80.09042	0.4
81.03399	100.0
81.07046	4.7
83.01315	0.5
83.04970	0.8
84.08137	0.5
85.02900	3.8
85.06516	0.7
92.64398	0.4
95.19369	0.4
95.94585	0.5
97.02873	4.2
99.04433	10.6
100.02442	0.6
102.02053	0.4
103.95599	0.4
109.02862	28.8
109.04803	1.8
109.06508	2.0
110.02389	2.4
123.13069	0.4
127.03903	31.7
127.05008	6.6
127.07558	0.8
135.04836	0.4
140.95126	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	127.0391
Annotation	4-HYDROXY-6-METHYLPYRAN-2-ONE
Peak:m/z	Relative Intensity
53.03938	5.3
55.01869	1.2
55.05482	0.6
56.96545	2.1
57.03412	0.9
57.45362	0.4
64.33728	0.5
64.94751	0.4
67.05493	1.0
67.93548	2.4
69.03405	4.4
71.01318	0.8
71.04974	2.0
75.32971	0.5
79.05466	3.0
81.02932	1.1
81.03398	27.6
81.07034	5.8
85.02882	0.7
85.06529	12.1
99.04430	1.0
109.02862	10.4
109.06495	3.1
127.03889	100.0
127.07533	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	123.1169
Annotation	Santene
Peak:m/z	Relative Intensity
53.03941	0.8
55.05499	4.0
56.96555	52.1
57.07068	6.4
58.50518	2.8
59.20095	0.5
65.78346	0.5
67.05483	11.2
67.51045	9.4
69.07043	3.4
69.90378	0.6
70.01304	2.7
70.92625	0.6
72.59743	0.6
76.51567	13.9
79.01830	42.6
79.05475	10.9
79.51996	2.8
80.04975	0.9
81.07033	100.0
83.95374	0.7
85.52114	1.1
86.52613	0.7
88.02350	73.7
88.52518	4.0
89.02162	0.7
93.07035	0.9
95.04890	0.9
95.08578	16.0
97.02855	9.3
99.53133	1.5
100.02446	1.5
108.07637	1.3
112.39227	0.6
118.03480	1.3
119.01874	0.9
121.10074	1.3
123.04446	0.8
123.05519	7.9
123.08051	1.0
123.09964	3.4
123.11674	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	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
54.07343	0.5
55.03822	0.5
55.05494	3.3
56.96556	74.2
57.07063	6.3
58.50518	4.8
67.05489	11.7
67.51049	15.6
69.07034	1.4
70.01283	3.0
76.51569	18.8
79.01831	60.1
79.05467	8.3
79.51997	3.7
80.01636	0.7
80.05003	3.9
81.07035	74.7
85.52087	2.7
88.02354	100.0
88.52540	8.0
90.52616	3.2
95.04949	4.8
95.08583	11.5
96.04462	0.7
97.02864	11.4
99.53120	2.4
100.02445	5.4
106.07332	3.1
108.07648	4.2
116.26390	0.6
118.03493	4.3
121.10140	1.1
122.14561	0.6
123.04424	3.4
123.05532	14.6
123.08051	3.0
123.09992	12.0
123.11681	47.3
124.03948	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.1169
Annotation	Unknow
Peak:m/z	Relative Intensity
52.93836	0.3
55.05498	0.6
56.96555	68.9
57.07058	2.6
58.50521	3.2
60.30708	0.4
65.03944	0.4
67.05485	5.2
67.51048	14.3
69.07070	0.8
69.72215	0.4
70.01315	2.6
74.97572	0.4
76.51564	17.5
77.01726	0.6
79.01831	61.3
79.05471	4.6
79.52028	3.0
80.04984	0.5
80.81085	0.4
81.07036	39.6
85.52094	4.3
88.02354	100.0
88.52538	6.3
89.02615	0.5
90.52620	2.8
93.07018	0.6
95.04941	2.8
95.08594	6.9
97.02866	14.5
97.53087	0.6
99.53123	2.6
100.02454	1.6
118.03477	0.9
119.15208	0.4
121.10139	0.4
123.04540	0.5
123.05513	4.0
123.08060	0.5
123.10011	0.6
123.11678	20.8
141.44691	0.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0805
Annotation	3,5-DIMETHYLPHENOL
Peak:m/z	Relative Intensity
53.03927	1.0
55.05482	1.5
56.96553	75.8
58.50515	1.9
67.05486	9.4
67.51047	15.9
70.01303	1.8
76.51565	19.5
77.01732	1.3
79.01833	55.0
79.02299	1.9
79.05468	5.8
79.52020	1.9
80.05001	1.2
81.07049	9.9
85.52082	4.7
88.02349	100.0
88.52511	5.5
89.02141	1.1
92.09315	0.9
93.07046	1.6
95.04934	6.7
95.08578	22.6
97.02864	13.0
99.53139	1.5
100.02468	4.2
105.06994	8.3
106.07342	4.4
107.04919	4.2
108.05720	29.3
108.07654	4.8
118.03485	1.6
121.06483	7.3
123.04621	1.7
123.05531	14.1
123.08040	86.4
123.09937	14.3
123.11679	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	123.0442
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01599	0.7
51.02377	1.1
53.03938	2.9
56.77486	0.6
56.96558	64.8
58.50521	2.7
61.00771	0.6
65.03907	0.6
67.05495	8.1
67.51047	15.4
70.01308	3.3
72.16783	0.6
73.64642	0.6
76.51572	17.0
77.03907	3.7
79.01836	64.6
79.05470	7.0
79.51994	2.7
80.04990	9.9
81.07049	8.5
85.52097	2.8
88.02357	100.0
88.52547	3.1
90.52614	3.1
95.04938	15.4
95.08598	1.6
96.04465	4.2
97.02868	11.4
99.53139	5.2
100.02473	10.2
103.41342	0.7
105.03362	9.5
105.04498	2.7
105.07011	3.5
106.07339	12.4
107.07307	1.1
108.07676	2.7
118.03486	11.0
119.01907	2.9
123.04414	94.8
123.05524	46.2
123.08044	3.1
123.09159	1.0
123.09965	6.6
123.11688	3.9
124.03936	2.4
137.02954	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0404
Annotation	Unknow
Peak:m/z	Relative Intensity
51.20402	0.7
52.73369	0.7
53.05025	0.7
54.16168	0.8
56.96542	4.3
57.29235	0.7
58.99844	5.7
73.49988	0.8
76.51563	1.1
81.63270	1.0
82.01425	28.2
82.42317	0.9
88.02345	3.8
100.02457	100.0
101.00862	1.0
113.66784	1.0
118.03488	70.4
119.01874	7.9
137.02936	3.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	123.0441
Annotation	4-Hydroxybenzaldehyde
Peak:m/z	Relative Intensity
50.01588	0.3
51.02367	0.6
53.03938	0.6
56.96555	65.3
57.19159	0.3
58.50519	4.0
58.72863	0.2
58.96146	0.4
67.05492	3.2
67.51049	16.9
68.01240	0.3
70.01295	3.4
74.97600	0.4
76.51563	17.4
77.03923	2.6
79.01833	62.9
79.05441	0.3
79.52023	3.2
80.01643	1.0
80.04994	1.4
81.03409	0.3
81.07034	3.4
85.52088	3.6
88.02354	100.0
88.52562	4.8
89.02116	0.5
90.52618	2.6
95.04945	5.5
95.08570	0.5
97.02869	11.4
97.53037	0.6
99.53149	2.4
100.02464	3.2
100.03302	0.5
102.03384	0.3
105.03374	5.1
105.04488	0.6
106.07368	0.6
107.07327	0.3
108.07677	1.1
108.41489	0.3
118.03491	3.2
122.09664	0.4
123.04405	53.8
123.05491	6.9
123.07978	0.7
123.09981	2.9
123.11680	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.1013
Annotation	2-Ethyltoluene
Peak:m/z	Relative Intensity
53.03937	5.1
55.05513	6.4
55.05722	0.7
55.69619	0.7
58.45128	0.7
63.24001	0.7
67.05490	0.8
70.63319	0.7
79.05478	29.4
80.06261	1.1
81.07030	4.2
91.05463	28.8
92.79820	0.9
93.07025	100.0
95.04942	10.9
103.05449	5.7
105.04508	3.2
105.07016	35.8
106.07784	3.5
119.08568	5.2
121.06497	1.0
121.10121	62.5
122.09640	3.4
123.08044	4.9
133.07567	1.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
53.03944	8.6
55.41852	0.7
58.97931	0.9
59.66185	0.9
77.03910	1.5
86.67219	0.8
91.05460	35.6
91.06069	1.1
93.07014	37.9
93.07560	1.8
95.04944	20.9
103.05447	74.3
105.04510	4.6
111.63902	0.8
121.06479	100.0
122.06889	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	121.0649
Annotation	Phenylacetaldehyde
Peak:m/z	Relative Intensity
51.02369	1.6
53.03938	12.1
55.01849	1.3
56.96545	1.2
57.98922	1.1
65.03926	1.1
76.19601	0.9
77.03939	1.0
91.05453	38.8
93.07024	44.2
94.59364	1.2
95.04937	28.0
96.14011	1.0
103.04745	1.9
103.05447	60.1
105.04504	6.0
108.22897	0.9
121.03984	1.8
121.06480	100.0
122.09619	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03931	0.6
54.34978	0.7
57.11645	0.6
61.79027	0.6
65.03916	0.8
65.96088	0.6
79.05465	3.4
87.53453	0.9
91.05460	58.6
92.05012	0.9
93.07011	3.3
95.04958	0.9
103.05457	7.8
104.06242	4.9
109.06528	0.9
115.05445	3.7
117.06992	33.5
119.06042	5.0
119.08556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	120.0809
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03934	0.8
55.32092	0.6
58.75168	0.6
68.82375	0.7
91.05477	4.3
93.07030	8.1
95.04964	1.2
103.04755	0.8
103.05451	39.4
120.08081	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
53.03940	0.4
60.04509	0.4
65.03935	0.8
69.87694	0.4
70.10094	0.4
70.33363	0.3
71.47822	0.4
73.08474	0.5
79.05477	4.4
82.51505	0.4
84.59892	0.4
87.53466	0.6
91.05457	80.7
92.05753	0.5
93.07010	3.3
95.04936	1.1
96.87588	0.4
103.05439	7.0
103.30267	0.5
104.06217	5.4
105.04481	0.5
108.63808	0.5
115.05430	2.9
117.06997	27.9
119.06048	4.6
119.08556	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
50.33627	1.1
53.97922	1.0
60.04515	1.9
65.03911	1.5
72.93738	1.8
79.05455	1.8
79.20862	1.1
82.88031	1.0
88.63388	1.0
91.05458	88.6
93.07011	1.8
103.05424	5.9
104.06226	4.5
109.06474	1.5
112.19963	1.2
113.96318	1.5
115.05437	2.4
117.06996	26.7
119.04913	27.3
119.06020	12.4
119.08550	100.0
120.05560	1.8
131.97345	1.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0192
Annotation	Unknow
Peak:m/z	Relative Intensity
56.84579	0.4
56.96549	0.5
58.95405	0.6
59.95481	2.6
59.99924	2.1
60.95115	0.6
68.95269	1.0
77.63377	0.4
78.00989	0.6
83.01506	2.3
87.53455	1.1
95.70995	0.5
100.02477	2.5
101.00864	16.0
101.02544	14.9
104.99096	0.8
118.03455	2.0
119.01898	100.0
119.03577	13.3
120.03267	0.7
137.00197	2.4
137.02936	54.6
139.03351	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0857
Annotation	alpha-Methylstyrene
Peak:m/z	Relative Intensity
56.63028	0.5
58.81396	0.5
60.04494	0.7
60.47577	0.6
63.79390	0.6
65.03933	1.2
78.91806	0.6
79.05474	4.1
91.05462	54.1
91.54076	0.6
93.07014	3.4
94.76293	0.7
95.04967	0.8
97.59768	0.6
103.05447	5.6
104.06242	5.1
107.78410	0.6
109.06496	1.0
115.05454	1.4
117.06975	13.2
117.07713	0.7
119.04979	1.4
119.06061	4.4
119.08558	100.0
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	119.0856
Annotation	Unknow
Peak:m/z	Relative Intensity
60.04496	0.7
65.03918	1.3
79.05469	7.1
91.05460	100.0
93.07027	2.5
94.98035	0.7
95.04905	1.0
103.05443	6.3
104.06240	4.0
109.06435	0.7
115.05441	1.5
117.06999	22.6
119.06082	7.2
119.08557	88.8
120.05518	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	116.0708
Annotation	Proline
Peak:m/z	Relative Intensity
54.81235	0.1
55.01869	2.3
55.05501	0.3
56.05030	2.1
56.96560	1.0
57.03425	0.1
68.04993	0.1
68.38514	0.1
70.06578	100.0
71.04985	0.1
71.06906	0.3
73.02897	0.1
73.07657	0.1
91.00482	0.1
98.06036	3.3
98.07080	0.2
99.04426	0.1
99.59830	0.1
116.07072	22.8
117.07362	0.1
119.00156	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	118.0864
Annotation	Unknow
Peak:m/z	Relative Intensity
53.03948	0.1
55.05503	14.3
57.05811	0.9
59.04985	0.2
59.07373	0.1
69.46011	0.1
72.08135	100.0
73.08466	0.3
115.78323	0.1
118.08627	2.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	118.0864
Annotation	N-Methyl-a-aminoisobutyric acid
Peak:m/z	Relative Intensity
55.05506	13.8
55.33142	0.1
55.90806	0.1
57.03417	0.1
57.05810	1.0
58.06592	5.5
59.04993	0.2
59.07372	8.6
59.87367	0.1
64.43088	0.1
70.06590	0.3
70.20995	0.2
72.08140	100.0
73.08469	0.2
76.07632	0.2
78.52986	0.1
84.85562	0.1
91.78873	0.1
100.07600	0.3
101.06022	0.2
113.43409	0.2
118.08636	47.6
130.53365	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	1180.6467
Annotation	Unknow
Peak:m/z	Relative Intensity
83.08586	3.1
85.02908	6.7
85.10181	4.8
91.05463	19.2
93.07016	3.2
95.04917	3.0
95.08589	19.9
97.10160	4.1
107.08569	3.1
107.55736	2.2
109.10160	9.5
115.05398	2.8
119.04945	4.4
125.09586	3.2
128.06180	4.0
129.06940	3.0
131.08459	3.0
137.05948	40.8
139.03831	2.8
141.06979	12.1
149.05980	4.6
153.06931	9.0
155.08519	11.4
157.06459	3.7
161.05940	4.9
167.08525	11.2
169.06436	11.9
169.10165	3.2
171.07973	18.3
173.05959	19.4
175.07570	5.2
177.09148	3.0
181.06451	35.5
181.10051	3.8
182.80634	2.1
183.08020	39.6
185.09668	2.3
187.07550	14.1
195.08018	12.1
197.09575	5.6
199.07527	100.0
201.09074	17.4
207.08084	5.7
209.09624	14.2
211.07643	2.7
211.10950	3.0
211.53230	2.5
213.09065	4.6
221.09607	4.4
223.11125	8.8
224.02580	2.5
225.09004	4.3
227.10602	4.9
233.09521	4.3
233.13091	2.7
265.15765	16.8
275.14261	13.7
278.10757	2.5
283.16901	9.2
293.15375	25.0
311.16382	45.9
313.27301	63.9
329.17499	40.5
337.18106	3.6
367.18948	9.9
385.20065	39.3
403.21152	27.5
421.22000	4.6
430.73407	2.6
523.39410	4.9
593.41486	5.1
623.42902	21.3
641.43976	94.0
642.44165	3.0
659.45245	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	1154.6107
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07033	1.2
83.04938	0.9
83.08598	0.5
85.02880	1.1
85.10155	2.1
86.09695	5.6
91.05460	1.2
93.03370	0.9
93.07029	1.1
95.08611	1.9
97.02856	0.6
109.10143	0.8
111.04417	6.5
115.05465	0.5
121.02768	0.6
123.04464	3.8
124.99983	4.1
127.03905	0.7
134.14630	0.5
135.04378	2.5
139.03886	100.0
140.04269	0.6
141.06978	0.7
145.06493	0.8
149.06001	2.5
151.03880	7.1
153.05475	1.1
153.06786	0.5
155.08638	0.6
157.06448	1.0
161.05931	6.3
163.03877	21.5
173.05983	8.1
175.07478	0.9
177.05446	5.1
179.03357	1.0
181.04874	5.1
184.07288	12.4
185.05939	0.8
187.03839	0.7
187.07504	7.1
189.05536	2.0
196.17905	0.6
197.05936	0.7
199.07532	3.3
201.05464	2.8
201.09152	0.9
205.04930	7.8
211.07542	2.3
213.05516	1.0
213.09061	2.9
217.04967	2.2
223.07582	0.8
225.08989	0.7
227.06979	0.8
229.04982	1.9
235.05962	0.8
247.06036	2.7
257.33713	0.5
265.06967	0.9
269.15240	0.5
283.08273	4.0
295.06000	2.2
301.09137	10.6
309.07544	0.9
313.07010	2.3
313.27286	14.3
315.15796	3.4
321.07498	0.7
327.15936	3.1
339.15707	3.9
371.18716	0.6
389.19409	0.7
413.19510	0.9
418.23242	0.6
421.16608	3.6
429.17572	0.5
447.18069	5.7
465.18839	2.9
470.08368	0.6
521.21692	1.2
539.22455	2.7
627.42200	3.2
639.42383	2.1
651.41986	2.3
655.41522	2.3
657.43347	1.2
669.43365	2.5
751.43774	1.2
777.45587	6.2
795.47009	6.2
992.50989	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.6101
Annotation	Unknow
Peak:m/z	Relative Intensity
81.03396	0.4
81.07026	2.3
83.04964	0.7
83.08585	0.7
85.02898	1.4
85.10166	1.6
86.09675	2.1
87.57704	0.4
91.05446	0.4
93.03373	0.8
93.06989	0.4
95.04941	0.6
95.08597	3.3
97.02854	2.2
97.10122	0.7
105.07030	0.4
107.04939	0.4
109.10120	1.9
111.04414	6.4
115.05414	0.6
117.06995	0.5
121.02872	0.6
123.04411	2.6
124.99973	1.8
127.03855	0.8
129.06964	0.5
131.04947	0.5
135.04379	1.7
139.03879	100.0
140.04274	0.4
145.06421	0.8
147.04433	0.5
149.05975	2.1
151.03886	5.7
153.05363	0.4
153.06972	0.5
157.06425	0.4
159.08090	0.5
161.05925	4.2
163.03865	22.9
163.07535	0.5
165.05446	0.8
165.06886	0.5
167.08530	0.7
169.06474	0.7
173.05931	7.8
175.03889	0.8
175.07526	1.4
177.05449	5.1
179.03392	0.8
181.04918	3.8
181.06438	1.3
181.86841	0.4
183.08022	0.8
184.07301	6.7
185.05983	0.5
187.03798	0.6
187.07491	5.4
189.05447	2.3
193.04962	0.7
195.08031	0.6
197.05975	1.4
199.07500	4.8
201.05374	2.7
201.09119	2.4
205.04909	9.9
209.05934	0.4
210.06633	0.4
211.07436	3.8
211.73883	0.5
213.05472	1.8
213.09082	3.0
215.06932	0.8
217.04852	0.6
223.07544	0.8
224.84770	0.4
225.09154	1.5
226.06297	0.4
227.06963	0.7
229.04959	1.6
229.08449	0.5
235.05939	1.6
237.09131	0.6
239.23579	0.5
247.05806	0.6
265.06982	1.4
281.15329	0.8
283.08276	3.5
293.15182	0.5
295.06003	2.1
301.09143	7.4
308.06442	0.4
309.07605	0.7
309.14935	0.5
313.06995	1.7
313.27292	12.5
315.15823	2.9
325.14206	0.5
327.15775	3.0
335.09100	0.4
339.15839	4.4
359.18469	0.6
389.19397	1.4
401.19241	0.8
413.19455	1.4
421.16272	3.8
447.17999	4.2
465.18906	3.7
483.21249	0.5
495.19849	0.6
521.21796	0.7
539.22766	2.6
558.47797	0.4
572.76910	0.4
597.41473	0.5
627.42554	3.5
639.42163	2.4
651.42346	2.4
655.41577	1.3
657.42865	3.0
669.43280	2.4
700.74634	0.5
751.43799	2.0
759.45148	0.7
777.45526	8.4
795.46692	6.6
801.45349	0.6
805.45270	0.4
843.46497	0.5
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1154.6103
Annotation	Unknow
Peak:m/z	Relative Intensity
81.07033	3.7
83.04976	1.3
83.08612	1.2
85.02889	1.0
85.10147	0.9
86.09705	1.2
88.13925	0.5
91.05454	1.0
92.08735	1.1
93.03373	0.8
93.07008	0.7
95.04958	1.1
95.08589	2.7
97.02861	1.3
97.10120	0.7
99.67874	0.5
102.64592	0.6
105.06992	0.7
106.57562	0.7
109.10159	1.4
111.04424	6.4
112.94015	0.5
115.05514	0.8
121.02822	0.7
123.04423	4.2
127.03879	0.8
135.04384	2.8
139.03885	100.0
140.04187	0.7
145.06448	1.3
149.05963	3.4
151.03929	8.2
153.05521	0.8
153.06950	1.1
155.08372	0.6
157.06502	0.7
161.05949	6.7
163.02501	1.2
163.03876	28.9
165.05528	1.2
165.06947	0.9
169.06448	0.9
173.05962	11.0
175.03888	0.8
175.07516	1.1
177.05475	5.0
177.38525	0.6
179.03325	0.9
181.04930	4.8
181.06465	2.3
184.07339	3.2
185.05933	1.1
187.03870	2.4
187.07492	6.5
189.05457	1.4
191.06920	0.8
195.07999	0.7
197.05952	1.2
199.07509	6.4
201.05461	2.6
201.09106	2.8
205.04947	11.4
211.07515	3.9
213.05548	1.3
213.09067	2.9
217.04961	1.2
221.09337	0.7
223.07498	0.7
225.09027	0.9
229.04990	2.6
247.05905	1.4
251.10599	0.6
259.06009	0.6
265.07050	1.2
281.15106	0.8
283.08090	3.7
287.16299	0.9
293.15503	0.8
295.05951	1.2
297.14880	1.0
301.09198	10.7
313.27246	12.6
315.15799	4.0
321.07376	0.8
327.15744	2.6
339.15985	3.6
359.18677	0.9
379.30701	0.6
389.19403	2.6
395.17957	0.8
413.19562	1.0
421.16162	3.4
447.17911	5.1
465.18787	2.7
521.21533	1.2
539.22388	2.3
597.41266	2.3
627.42517	4.3
631.41516	0.7
639.42419	2.3
645.43011	0.7
651.42365	1.8
655.41821	0.8
657.43311	2.8
669.43323	1.3
751.44067	0.9
777.45831	7.3
795.46771	5.9
843.46661	0.8
920.96539	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	113.0599
Annotation	1,4-Cyclohexanedione
Peak:m/z	Relative Intensity
51.58873	0.8
53.03939	3.8
55.01869	1.1
55.05500	3.9
56.96545	1.7
57.03421	6.3
57.06847	0.9
57.07070	14.2
59.29924	0.8
60.95841	4.5
62.39940	0.9
65.03925	10.0
67.01855	1.6
67.05492	100.0
68.05018	2.1
69.03404	2.2
69.07056	1.5
70.02925	1.7
71.04977	43.9
71.94079	4.8
72.52846	1.0
72.93766	14.2
78.51212	1.4
81.03419	2.4
85.02877	1.5
85.06530	23.9
90.00105	1.2
90.02003	5.7
90.94806	5.4
92.08663	1.2
95.01311	4.0
95.04945	55.7
95.08601	1.6
99.00661	3.7
108.95850	0.9
113.02360	11.3
113.03468	10.1
113.05990	60.6
113.09635	1.0
113.10789	1.4
113.96416	1.2
114.09200	1.1
116.76112	0.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1092.4852
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05468	39.5
81.03391	75.6
81.07027	44.4
83.04958	16.3
83.08600	32.1
85.02895	35.2
86.94120	2.7
91.05454	47.2
93.07018	27.1
95.04935	39.7
95.08581	22.5
97.02875	9.7
97.10161	6.1
99.04387	2.2
100.28865	2.2
105.07014	35.3
107.04933	13.7
107.08556	13.9
109.06480	4.9
109.10159	5.7
109.98932	2.3
111.08040	12.3
115.05414	5.3
117.07009	3.5
119.08554	30.4
121.10091	5.4
122.80885	2.4
123.04401	6.3
123.08040	5.4
123.11806	2.5
129.06966	24.0
131.04915	3.4
131.08533	17.0
133.10089	17.3
137.09601	3.8
145.06477	3.3
145.10075	2.7
147.04337	3.8
147.08011	3.3
147.11636	26.0
149.05965	5.2
149.09601	10.9
153.06966	4.0
157.06438	9.8
157.10088	27.2
161.05930	15.6
163.03871	3.2
165.06886	5.3
167.08543	3.2
169.06482	6.1
171.07956	3.6
173.05960	32.9
175.11159	28.6
177.05424	6.1
179.08420	3.6
180.96553	2.8
181.06444	13.0
183.08054	5.2
185.05937	11.2
187.07489	22.1
189.05492	10.1
193.04921	4.8
193.12219	71.8
195.08049	14.2
197.05981	13.7
197.09613	5.5
199.07491	21.9
201.05411	6.0
201.09087	22.8
207.08090	10.6
209.05949	16.0
209.09546	4.7
210.06706	4.6
211.07477	44.0
211.13237	60.2
213.05434	39.1
213.09061	14.5
215.06982	10.6
223.07527	37.2
223.11093	3.1
224.07965	2.7
225.05475	12.4
225.09044	10.6
227.06969	24.9
227.10587	4.4
229.04869	10.6
231.06485	4.4
235.07538	11.4
237.05444	11.5
237.09079	10.2
239.06952	47.6
241.04910	6.1
241.08429	3.5
242.05850	4.1
243.06381	4.6
249.09081	5.3
251.07080	18.1
251.14233	24.2
252.07568	4.0
253.08568	5.4
255.06438	40.8
255.13492	2.8
261.09189	3.5
261.12708	4.3
265.05051	5.6
265.08554	10.5
267.06357	5.4
267.15811	50.4
269.08047	3.6
269.15271	4.5
271.89960	2.8
273.03903	2.9
279.13730	5.8
283.05994	16.0
283.13181	3.6
285.16891	100.0
293.15247	21.0
297.14807	13.5
303.13733	14.3
305.15106	4.4
307.13226	5.9
315.15927	5.7
321.14810	38.1
323.16342	3.8
325.14273	14.5
331.13162	15.5
339.15790	50.6
349.14182	43.5
351.15714	3.4
367.15326	74.5
375.54248	3.2
377.13544	9.2
385.16425	29.0
395.14740	16.3
403.16736	2.9
413.15817	15.5
423.18124	4.3
441.18951	14.2
451.17422	12.3
459.19943	13.7
469.18362	12.3
487.19742	27.4
505.20496	53.6
509.20407	2.9
523.21515	26.4
545.00275	3.3
559.26086	3.1
608.60834	2.9
633.29871	5.3
651.31134	12.0
669.32355	12.8
679.31494	18.3
687.32672	4.0
697.31885	55.8
715.33136	69.5
733.34247	55.9
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02378	0.2
53.00297	0.4
53.03939	8.6
54.82025	0.3
55.05505	10.6
56.96553	0.5
62.23513	0.3
62.41362	0.2
63.15465	0.2
65.03924	2.9
66.49140	0.3
67.05492	97.1
68.05818	0.3
69.07053	6.9
72.93742	0.8
73.08936	0.2
74.99824	0.4
76.51567	0.5
77.50060	0.3
77.99921	0.5
79.01852	0.3
79.05473	7.1
80.06267	1.2
81.03399	31.5
81.07036	34.3
85.52084	0.3
86.00682	8.8
86.50589	4.5
87.00446	29.8
88.02364	0.4
90.94817	0.4
91.05460	0.6
94.07806	1.2
95.01191	2.2
95.51098	1.3
95.79177	0.3
96.00957	6.7
97.00978	0.5
97.51472	0.4
98.00777	0.3
98.51221	1.1
107.08575	4.4
108.95878	0.4
109.02854	1.4
109.06505	7.1
109.10138	100.0
110.05989	0.4
110.10461	0.4
111.96843	2.5
112.96713	1.5
113.96377	10.8
129.97890	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	109.1015
Annotation	4-Vinylcyclohexene
Peak:m/z	Relative Intensity
51.02378	0.2
53.00297	0.4
53.03939	8.6
54.82025	0.3
55.05505	10.6
56.96553	0.5
62.23513	0.3
62.41362	0.2
63.15465	0.2
65.03924	2.9
66.49140	0.3
67.05492	97.1
68.05818	0.3
69.07053	6.9
72.93742	0.8
73.08936	0.2
74.99824	0.4
76.51567	0.5
77.50060	0.3
77.99921	0.5
79.01852	0.3
79.05473	7.1
80.06267	1.2
81.03399	31.5
81.07036	34.3
85.52084	0.3
86.00682	8.8
86.50589	4.5
87.00446	29.8
88.02364	0.4
90.94817	0.4
91.05460	0.6
94.07806	1.2
95.01191	2.2
95.51098	1.3
95.79177	0.3
96.00957	6.7
97.00978	0.5
97.51472	0.4
98.00777	0.3
98.51221	1.1
107.08575	4.4
108.95878	0.4
109.02854	1.4
109.06505	7.1
109.10138	100.0
110.05989	0.4
110.10461	0.4
111.96843	2.5
112.96713	1.5
113.96377	10.8
129.97890	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	109.0287
Annotation	p-Benzoquinone
Peak:m/z	Relative Intensity
51.02369	0.7
51.45509	0.1
51.57825	0.1
53.03941	28.4
65.90112	0.1
66.86318	0.1
66.87637	0.1
75.48805	0.1
79.26274	0.1
79.44195	0.1
81.03401	100.0
82.03725	0.2
109.02859	3.1
109.07622	0.6
109.08414	0.1
110.06036	0.3
125.73239	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	109.1015
Annotation	Unknow
Peak:m/z	Relative Intensity
51.02369	0.2
53.03939	11.3
55.05506	10.2
56.96554	0.5
65.03924	2.2
67.05491	99.6
68.05813	0.3
69.07055	6.7
74.99827	0.5
76.51586	0.3
76.99377	0.2
77.99843	0.4
79.05470	7.1
79.48735	0.2
80.06267	0.4
80.72364	0.3
81.03400	40.5
81.07038	33.7
82.03754	0.3
84.00359	0.3
86.00683	8.1
86.50582	3.4
87.00446	26.2
88.00462	0.4
89.00246	0.2
90.94836	0.4
91.05466	1.3
94.07823	1.3
95.01187	2.9
95.04922	0.3
95.51112	0.5
96.00960	9.0
96.62872	0.3
97.00984	0.5
97.51450	0.3
98.00721	0.5
98.51224	1.7
104.39970	0.2
105.07029	0.3
107.08553	3.1
109.02867	1.5
109.06507	7.3
109.10139	100.0
110.06039	0.3
110.10487	0.5
111.96812	2.4
112.96706	1.3
113.96375	8.0
115.96368	0.4
119.76897	0.3
129.97861	2.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	105.0702
Annotation	Bicyclo[4.2.0]octa-1,3,5-triene
Peak:m/z	Relative Intensity
50.01588	0.1
51.02372	0.3
51.30831	0.1
53.03941	2.3
55.01851	0.1
57.22880	0.1
64.12083	0.1
72.50320	0.1
77.03904	0.9
79.05475	22.8
81.03387	0.4
95.04948	8.6
103.05451	17.4
105.04546	2.0
105.07013	100.0
106.07335	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0491
Annotation	Aromatic aldehyde
Peak:m/z	Relative Intensity
51.02363	0.2
51.75781	0.2
53.03737	0.2
53.03938	2.6
53.14130	0.2
55.01847	0.6
55.05803	0.2
56.96551	0.6
72.88353	0.2
77.03910	0.3
78.09250	0.2
79.05473	5.8
84.01540	1.4
84.19477	0.2
84.34142	0.2
86.32986	0.2
91.05447	0.4
93.02055	1.1
95.04939	5.7
105.04490	1.4
105.07007	0.4
107.04936	100.0
107.08573	1.2
108.82920	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
54.81430	0.3
55.01874	0.6
56.96571	0.6
65.03600	0.4
65.03927	7.2
67.05489	2.1
79.05473	11.5
84.01550	0.9
91.05460	85.4
92.06237	2.5
92.09312	1.3
93.02074	0.7
95.04922	1.3
95.59622	0.4
99.30999	0.3
105.07009	35.6
106.04190	0.4
107.04927	4.7
107.08573	100.0
109.06501	26.6
109.07266	0.7
119.06040	12.4
124.05164	0.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	107.0859
Annotation	Ethylbenzene
Peak:m/z	Relative Intensity
50.40144	0.3
55.05488	0.5
56.96547	1.9
62.25734	0.4
65.03926	6.8
67.05490	2.1
73.03292	0.3
79.05052	0.8
79.05476	13.8
84.01560	1.9
91.05463	85.9
92.06253	2.1
92.09315	0.5
93.02068	2.0
95.04942	1.6
99.12791	0.4
105.07017	36.0
107.04939	6.4
107.08578	100.0
108.08867	0.5
109.06501	29.3
117.94805	0.4
119.06049	11.4
119.92952	0.4
124.05170	0.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	104.1074
Annotation	Choline
Peak:m/z	Relative Intensity
52.67096	0.0
58.06583	1.3
59.07366	0.6
60.08150	17.9
68.05016	0.0
69.03064	0.0
69.03416	0.9
72.77265	0.0
86.05575	0.0
86.06048	0.8
86.09689	0.0
87.04449	3.3
104.10721	100.0
105.11008	0.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1019.2227
Annotation	Unknow
Peak:m/z	Relative Intensity
70.74204	0.6
77.03920	0.7
79.01838	0.9
79.05479	1.1
81.03408	4.3
83.04966	0.8
89.03901	1.5
91.05423	0.9
92.63179	0.7
93.03387	1.4
95.04942	3.8
99.04427	1.3
103.05405	1.3
105.03368	0.9
107.04955	8.9
109.02853	4.9
111.00790	10.4
111.04414	10.5
115.05466	1.5
117.03329	2.6
119.04871	2.5
121.02878	1.7
123.04398	100.0
127.03889	96.1
131.04930	6.1
133.02744	0.7
135.04393	74.0
137.02322	7.1
137.05969	1.2
139.03877	49.5
141.06995	1.3
143.03441	0.9
143.04921	1.0
145.02769	0.8
145.06512	0.9
147.04375	10.6
149.02333	10.4
149.05991	3.1
151.03893	22.6
153.01813	15.1
155.04875	3.4
157.06482	1.0
159.04356	6.6
161.02248	0.9
161.05943	6.1
163.03867	59.6
165.05467	5.1
167.03401	5.7
169.05159	0.8
169.06493	4.2
173.05946	7.9
175.03838	6.2
177.05444	8.9
179.03345	10.8
181.04950	1.1
181.06442	1.2
183.04385	3.2
185.06006	3.5
187.03798	11.7
187.07510	1.2
189.05399	5.8
191.03360	13.9
193.04935	2.6
197.05972	8.0
199.03929	1.1
201.05412	15.0
203.03378	19.2
203.07043	4.0
205.04893	4.4
207.02875	1.1
207.06418	1.0
209.05957	0.8
213.05475	4.1
215.03340	5.9
215.06929	5.1
217.04955	3.0
218.05830	0.7
219.06573	0.8
223.02289	1.8
225.05426	3.4
227.03441	1.1
227.07022	0.8
227.78416	0.8
229.04901	16.9
231.06563	4.1
233.04410	6.6
235.02499	1.2
237.05460	1.6
241.04935	3.5
243.06352	7.8
245.04391	76.8
247.05956	51.8
251.05482	0.9
253.04893	3.2
255.06430	5.7
257.04425	21.8
258.05063	1.3
259.05927	8.5
261.07578	3.8
263.05246	0.7
265.04922	2.9
267.06461	1.5
269.04358	10.5
271.05917	30.3
273.07550	7.1
274.04626	4.5
275.05444	17.1
281.04388	1.5
283.05936	16.0
285.07626	1.7
287.05399	22.0
287.55017	0.7
289.03741	1.2
289.06967	25.5
295.05911	2.8
297.03998	2.6
297.07318	1.0
299.05365	6.0
301.06961	10.0
303.04913	2.8
309.03879	1.6
311.05417	3.5
313.07080	3.3
321.07706	0.8
323.05530	1.7
333.07620	1.1
347.05124	1.3
351.04794	3.3
361.06906	1.7
365.06473	1.0
373.07083	1.2
377.06097	0.8
379.08005	4.6
383.07416	1.2
389.06454	3.6
391.07864	5.6
393.05722	3.0
393.09985	1.2
395.07617	0.8
397.09052	5.9
405.05786	3.8
407.07538	17.0
409.09070	26.4
419.07538	3.5
421.08926	4.0
425.08490	6.8
427.10318	5.6
433.08917	3.9
435.10593	2.8
437.08524	5.9
439.09995	0.9
443.09540	6.7
449.08484	1.7
451.10052	3.8
517.11023	1.7
527.09381	3.1
541.11108	1.0
543.12555	0.9
545.10223	1.1
559.12152	1.2
561.09937	1.1
563.11597	1.6
571.12439	1.0
577.12762	1.6
579.10962	3.7
697.12213	3.0
731.15833	3.2
849.15723	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	1018.6306
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04972	4.7
73.02895	2.5
79.05478	79.7
81.03403	12.4
81.07041	99.0
83.04964	4.9
83.08595	11.7
85.02883	11.4
89.49074	2.3
91.03915	4.1
91.05463	51.4
93.07028	83.7
95.04962	12.0
95.08586	54.4
97.02845	9.8
97.06522	14.2
97.10158	10.5
105.07016	34.8
107.04933	4.2
107.08594	50.4
109.06499	4.4
109.10152	27.9
111.08052	2.4
115.05384	2.2
116.01647	2.1
117.07024	16.7
119.08546	27.1
121.06479	5.0
121.10126	30.3
123.11691	3.9
127.03873	2.0
129.06978	9.4
131.04980	2.6
131.08546	30.4
133.10104	23.6
135.08020	3.6
135.11662	19.2
143.08589	7.5
145.06456	2.8
145.10089	24.1
147.08017	2.4
147.11681	10.8
149.09567	3.1
149.13269	17.6
155.08546	2.9
157.10083	3.6
159.11655	16.5
161.09691	2.3
161.13211	3.0
163.11110	3.4
173.11778	2.3
173.13210	9.4
195.13783	3.4
201.12527	2.3
211.14745	2.1
227.12697	2.1
229.14217	4.6
257.18991	3.5
261.22034	9.7
269.17337	4.8
275.19952	12.3
279.01898	2.2
335.25748	73.5
349.23587	13.1
413.21530	8.6
489.35724	8.7
529.38818	100.0
569.41400	4.3
609.44940	42.5
627.46130	4.1
637.40588	3.6
641.48242	19.1
655.42084	8.2
673.43054	26.0
691.43506	9.9
921.62958	3.1
1045.41040	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	1018.6295
Annotation	Unknow
Peak:m/z	Relative Intensity
70.56974	1.9
71.04975	8.7
72.90272	2.8
79.05476	68.4
81.03398	13.3
81.07042	100.0
83.04964	9.0
83.08624	16.1
85.02882	9.0
85.06559	2.0
91.03941	2.5
91.05454	44.2
93.07023	79.8
94.66601	2.1
95.04935	19.4
95.08585	59.5
97.02868	10.3
97.06509	12.4
97.10152	3.1
105.04503	2.1
105.07020	35.6
107.04929	8.5
107.08594	52.8
109.06508	4.3
109.10155	39.2
117.07024	23.2
119.08567	27.4
121.06502	3.4
121.10114	31.0
123.08019	3.5
123.11687	8.2
125.09605	3.3
127.03825	2.4
129.07013	4.2
131.08548	25.3
133.10114	19.0
135.08115	3.1
135.11656	20.2
137.09615	4.2
143.08502	3.2
145.10075	21.7
147.07961	2.6
147.11681	13.0
149.09608	8.1
149.13228	15.6
151.11197	3.3
157.10158	4.0
159.11688	16.1
161.13239	3.1
163.11124	2.6
171.11644	3.4
173.13275	8.5
195.13701	2.6
197.13304	2.7
217.06903	2.1
229.14340	10.3
261.22336	3.8
269.17343	5.1
275.20071	15.6
307.22598	2.6
335.25748	75.4
335.29730	3.0
339.17810	2.7
349.23474	11.3
413.21643	8.4
430.41760	2.4
489.35632	13.0
529.31171	3.9
529.38770	89.3
602.91058	2.6
609.44885	44.8
627.46075	5.3
641.47565	15.2
655.41309	2.9
673.43066	25.0
691.44012	3.5
855.99133	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	1018.5927
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04974	2.8
71.32330	1.8
72.33611	1.5
73.02857	2.8
76.31924	1.9
79.05474	70.1
80.05793	1.8
81.03403	8.3
81.07035	70.6
81.07479	3.7
82.98003	1.9
83.04945	12.6
83.05370	1.8
83.08598	15.7
85.02893	11.8
85.06514	2.9
91.03929	4.1
91.05462	65.6
92.09331	6.9
93.07022	67.8
95.04949	20.6
95.08582	40.8
96.05697	2.2
97.02887	16.7
97.06528	9.7
97.10146	9.3
97.78387	2.0
105.07014	45.6
107.04947	10.8
107.08573	38.2
109.06509	12.1
109.10131	32.1
111.04395	1.9
111.08059	4.0
115.05514	3.3
116.04720	2.8
117.06989	19.1
119.08566	32.3
121.06438	3.6
121.10124	23.4
122.07250	1.9
122.75859	2.1
123.04420	4.6
123.08051	9.7
123.11672	4.0
125.09582	10.2
127.03855	2.8
129.05482	8.6
129.07005	11.4
131.08525	30.6
133.10106	30.0
135.08040	4.9
135.11658	13.1
137.09610	9.1
143.08531	10.0
145.10126	17.0
147.08095	3.9
147.11685	11.7
149.09612	3.3
149.13226	4.2
151.11201	2.4
154.07666	2.1
157.08580	10.3
157.10107	8.5
159.11684	13.2
161.09618	3.9
161.13223	3.7
163.11108	4.7
163.14815	2.8
164.20757	2.0
169.10095	2.9
171.11638	7.9
175.11160	4.1
181.06476	2.2
189.11098	2.6
199.07512	2.6
199.14835	2.8
215.10426	2.1
237.16371	2.1
253.14249	3.5
261.22229	2.2
273.18365	7.7
275.19949	2.0
291.19473	8.2
313.27280	2.2
335.25708	42.5
347.22275	2.3
365.23004	7.8
399.23846	18.1
489.35489	4.8
527.99774	2.4
533.52386	2.3
607.42749	3.4
609.45166	4.6
625.44556	27.9
641.43921	8.4
659.45026	100.0
660.45532	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	1018.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04988	4.9
77.44186	2.5
79.05479	77.2
81.03413	15.4
81.07034	66.0
83.04962	24.2
83.08602	57.6
85.02883	14.4
91.03906	3.4
91.05457	69.1
93.07024	70.8
95.04946	100.0
95.08588	57.4
97.06512	13.4
97.10146	16.9
99.04438	5.7
99.08048	3.2
105.07008	63.5
107.04951	24.4
107.08572	48.1
109.06486	18.4
109.10142	22.4
111.04401	19.1
111.08077	5.4
114.46836	2.7
117.06992	29.6
119.08569	41.8
121.06490	10.5
121.10103	32.0
123.08057	12.5
123.11651	3.2
125.09652	5.5
129.06992	12.4
131.08517	31.6
133.10114	37.5
135.08054	4.6
135.11661	20.2
135.23427	2.9
137.09552	4.7
139.11150	5.2
143.08542	12.0
145.06444	3.0
145.10095	50.6
147.08069	6.3
147.11693	16.1
149.09590	36.8
149.13245	4.7
151.11121	6.2
153.12790	3.0
155.08607	3.9
157.10149	6.3
159.11665	20.0
161.09583	5.0
163.11177	51.2
165.12799	3.4
171.11630	11.5
172.97623	3.1
179.14447	2.9
181.12228	4.8
181.13864	2.6
183.11656	3.7
187.11139	3.2
189.11267	4.6
197.13260	3.3
223.13248	38.7
229.19444	5.0
240.85704	2.6
242.75168	2.9
257.18933	11.6
269.17444	5.3
275.19983	67.2
276.20523	3.4
293.21091	32.3
294.50519	2.8
333.24484	4.4
349.23749	58.4
367.24689	88.9
449.28879	4.1
463.30179	6.2
543.36438	13.0
623.42938	30.6
641.43951	83.6
659.45020	90.6
776.18048	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	1018.5944
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04975	3.6
77.21522	2.1
79.05477	68.8
81.03407	11.8
81.07040	100.0
83.04967	16.7
83.08600	20.0
85.02894	10.4
91.05460	70.6
91.06000	3.5
93.07027	78.8
95.04934	29.4
95.08590	37.8
96.55540	2.2
97.02895	10.2
97.06483	18.4
97.10153	4.7
97.75996	2.5
105.04508	2.9
105.07010	46.6
107.04955	20.6
107.08581	47.3
109.06497	10.5
109.10151	12.1
111.08025	2.7
117.06987	29.6
119.08575	32.7
121.06476	5.3
121.10115	21.9
123.11717	3.4
123.13743	2.4
124.15045	2.5
125.09611	4.9
129.07002	13.0
131.08548	30.2
133.10133	21.5
135.08032	9.8
135.11655	19.4
143.08559	13.5
144.69730	2.2
145.10117	17.8
147.08087	2.8
147.11676	22.2
149.08511	2.0
149.09564	20.7
149.13258	13.8
151.11174	3.6
155.08531	5.3
157.10075	5.6
159.11664	18.3
161.13239	4.9
163.11122	16.1
169.10129	3.4
171.11693	5.0
173.13206	5.6
177.12785	3.7
183.11708	3.9
185.13274	5.2
195.13744	3.2
197.13223	5.2
243.43767	2.5
255.15891	5.3
257.18982	10.7
267.15823	2.5
269.17352	23.4
275.20044	38.6
349.23566	32.6
367.24850	10.5
449.28860	19.8
463.30450	27.0
525.35602	4.8
529.35486	8.1
543.36798	55.7
561.37854	27.1
623.42682	15.3
641.43646	15.1
826.81561	3.2
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1018.5932
Annotation	Unknow
Peak:m/z	Relative Intensity
74.56807	4.5
75.15371	4.6
77.24827	4.8
79.05470	63.1
81.03376	6.4
81.07040	100.0
83.08591	20.0
85.02891	25.6
91.03937	6.5
91.05460	45.0
93.07032	78.1
95.04950	10.3
95.08577	56.2
97.02876	8.1
97.10128	10.9
98.38440	5.4
105.07021	25.7
107.08572	30.6
109.10132	78.7
116.03344	4.5
117.06975	9.7
119.08543	31.5
121.10109	27.2
123.11710	7.3
125.09593	5.5
126.75598	5.1
131.08545	10.4
133.10101	10.7
135.11696	10.0
145.10065	9.8
149.13306	7.3
159.11646	7.6
173.11746	17.3
175.01207	4.8
184.34363	4.8
215.61488	4.5
229.14297	36.1
259.79349	4.9
261.22025	17.6
267.15884	4.8
299.84940	5.3
301.16339	11.7
335.25754	82.3
399.23550	10.8
443.14496	4.7
445.01563	4.3
477.35632	10.9
489.35413	29.9
561.37677	9.6
579.39081	6.1
613.55389	6.4
659.45276	54.3
892.28351	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	1018.595
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05475	72.9
79.27669	5.2
81.03402	11.7
81.07039	94.7
83.04948	6.6
83.08607	20.6
85.02885	32.0
85.06552	5.4
91.03929	12.7
91.05431	49.0
92.09250	6.2
93.07005	55.7
95.04968	7.5
95.08588	71.9
97.02896	13.0
97.10165	20.8
105.07014	31.9
107.08579	40.2
109.10139	100.0
117.06988	7.4
119.08543	30.0
121.10152	11.4
125.09583	22.2
129.06963	5.1
131.08566	10.1
133.10069	5.6
135.11644	10.1
137.09584	7.8
140.81993	5.0
141.81107	5.2
145.10107	5.8
147.11647	6.4
152.18164	5.6
152.83859	4.9
159.11650	5.5
163.11163	8.3
173.11713	12.3
182.99586	5.7
191.90894	5.4
214.50194	5.4
229.14265	44.4
261.22025	23.6
261.61429	5.5
301.16431	8.7
335.25714	87.6
395.90598	5.2
399.23569	24.1
423.00558	5.4
477.36090	6.2
489.35544	23.8
506.46912	5.5
561.37372	10.3
566.20703	5.1
659.45020	51.4
1017.56348	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	1018.4484
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05480	16.1
81.03403	42.0
81.07043	19.4
83.08604	10.0
85.02866	7.3
91.05453	20.7
93.07005	10.5
95.04947	19.6
95.08567	8.4
97.10107	2.4
105.07001	13.3
107.04916	9.2
107.08591	3.4
109.06511	4.6
109.10181	2.6
115.05477	2.5
115.72850	2.2
117.06969	2.7
119.08564	10.5
121.06501	3.8
121.10107	3.0
123.04452	3.6
126.02687	1.8
127.01334	1.8
129.06981	10.3
131.08524	8.8
133.10083	4.3
142.07860	2.8
145.10106	2.9
147.04355	2.6
147.11639	4.4
148.08778	2.1
149.09570	2.4
153.06874	2.5
157.06503	3.1
157.10172	3.0
161.05959	12.4
163.03888	3.3
167.07104	2.5
172.07214	2.2
173.05942	72.1
175.07573	3.2
177.05437	2.4
181.06424	9.0
183.08086	2.8
185.05850	7.0
187.07542	16.8
189.05464	9.8
193.12230	13.4
195.08066	3.3
197.05989	3.8
199.03835	2.5
199.07538	21.6
201.05446	31.3
211.07530	13.9
213.05533	20.2
213.09026	8.5
215.06958	4.2
217.04933	100.0
219.13766	8.3
223.07471	3.6
225.05467	8.2
225.09073	2.5
227.07043	11.7
229.04944	12.2
239.06963	2.4
241.08545	3.1
243.06569	2.6
253.08672	2.8
265.12253	2.8
267.13452	3.1
267.16071	16.9
275.10794	2.7
283.13336	4.2
295.13348	2.1
311.12744	19.4
313.14371	9.3
319.15588	2.8
327.15869	2.8
329.13806	56.1
337.14386	17.4
355.15295	12.9
373.16364	2.9
385.16342	59.7
403.17795	2.7
411.17841	7.5
429.19016	18.6
529.25616	3.8
535.17383	3.1
579.20282	3.5
595.29059	23.7
603.29529	20.5
621.30365	47.3
639.31793	21.5
771.32373	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	1016.5782
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02879	2.3
73.52918	2.0
79.05048	4.0
79.05473	60.5
81.03393	14.2
81.06593	4.1
81.07038	63.4
83.04958	12.9
83.08596	11.3
85.02894	4.8
91.05460	58.5
93.07025	54.6
95.04940	24.3
95.08585	28.8
97.02872	11.4
97.06524	12.1
97.10131	16.7
103.26205	2.2
105.07005	43.7
107.04941	25.9
107.08592	39.5
109.06513	15.6
109.10139	16.1
111.08072	2.2
117.06970	22.1
119.08555	37.6
121.06467	5.0
121.10112	13.9
123.08024	3.1
123.11711	3.1
125.09615	13.0
129.06998	5.3
131.08549	25.6
133.06467	10.1
133.10086	23.3
135.08038	4.7
135.11681	11.7
137.09590	4.4
143.08533	10.2
145.06491	3.1
145.10095	17.8
147.08002	5.1
147.11674	4.4
149.09581	12.9
149.13278	8.9
155.08493	3.2
157.10069	8.6
159.11632	13.7
161.09599	4.9
161.13190	3.1
163.11127	8.4
171.11621	3.5
173.13220	8.8
175.11234	2.6
205.04942	2.7
223.13242	15.5
227.12762	5.0
249.14774	4.3
257.18875	3.7
269.17432	11.2
273.18369	13.3
275.19965	13.3
291.19492	100.0
349.23666	15.1
365.23083	38.8
367.24423	3.2
541.34991	4.9
545.34399	14.2
559.36206	70.3
622.24335	2.5
639.42407	46.9
657.43439	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	1016.5778
Annotation	Unknow
Peak:m/z	Relative Intensity
72.07546	2.7
79.05473	50.8
81.03386	18.8
81.07039	60.0
83.04951	7.3
83.08588	17.8
83.69103	3.1
85.02847	4.5
89.07324	2.9
91.05466	39.6
93.07024	39.6
95.04942	20.9
95.08577	26.7
97.02863	15.7
97.06490	6.1
97.10138	19.8
105.07027	33.3
107.04941	6.7
107.08562	31.8
109.06512	4.0
109.10139	13.9
117.06981	19.4
119.08561	26.9
121.10129	15.0
125.09624	14.5
129.07008	4.3
131.08507	20.9
133.06445	3.8
133.10133	15.3
135.08015	7.5
135.11633	12.4
143.08557	5.8
145.10141	5.7
147.08066	7.6
147.11687	4.5
149.13231	4.6
157.10077	4.5
159.11667	3.9
160.04988	3.3
171.11684	4.2
173.13239	3.2
223.13234	22.7
227.12828	4.0
260.49744	3.2
269.17340	16.9
273.18420	7.4
275.20001	15.4
291.19507	92.8
312.26071	3.1
349.23560	15.0
365.23138	33.4
373.79254	3.2
381.36316	3.3
541.34924	4.5
545.34515	21.1
551.23248	3.3
559.36200	100.0
639.42462	22.0
657.43549	5.7
829.34106	3.7
874.91040	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	1008.6449
Annotation	Unknow
Peak:m/z	Relative Intensity
70.29833	2.5
71.04999	3.4
71.08611	19.2
72.71105	3.0
73.02897	3.6
75.23574	2.7
79.05466	49.1
81.03355	9.4
81.07036	86.2
83.04976	6.4
83.08605	30.1
85.02866	4.9
85.10173	16.0
91.04980	3.2
91.05455	33.6
93.07030	31.6
95.04942	26.6
95.08583	46.6
97.02867	3.9
97.06497	5.5
97.10152	33.5
105.07018	23.4
107.04941	15.6
107.08611	27.1
109.06496	7.5
109.10143	21.4
111.04422	21.0
111.08067	7.3
112.89942	3.9
117.06967	15.0
119.08558	25.5
121.06493	6.4
121.10113	13.7
123.08022	23.8
125.09608	25.7
129.07014	4.6
131.08519	6.9
133.10135	11.7
135.08060	6.9
135.11668	7.0
137.09554	3.7
143.08524	4.2
145.10104	15.8
147.08020	15.8
147.11674	3.8
153.09135	3.0
157.10089	4.0
161.09579	6.4
163.11072	23.4
175.11029	3.9
181.12273	6.7
189.11182	12.4
227.12732	22.3
232.89812	4.0
234.70444	3.6
244.69160	2.9
256.85938	3.0
273.18375	35.7
291.19464	63.7
309.20435	14.0
341.30389	91.3
347.21808	4.9
365.23141	45.0
383.24316	27.4
473.28976	3.3
613.48322	4.6
631.49188	94.3
649.50323	100.0
939.74115	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	1007.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02900	5.9
79.05470	6.8
80.96355	0.6
81.03426	3.3
81.07035	5.5
82.43304	0.6
83.04980	1.0
83.08628	0.7
84.23605	0.6
85.02887	9.0
85.03275	0.6
87.09171	0.6
91.03967	5.3
91.05460	6.7
92.05817	0.6
92.08655	2.1
93.07017	7.0
95.04969	2.5
95.08613	3.1
95.19962	0.5
97.02873	8.4
99.04456	1.0
101.02377	3.0
105.07027	6.6
107.08626	3.9
109.02889	0.9
109.10189	0.8
115.03926	0.7
117.07023	1.1
119.08585	2.8
121.10134	0.6
125.09554	0.7
127.03920	2.6
129.07036	1.1
131.08556	1.3
133.10135	2.2
135.11757	0.8
143.08470	0.7
145.10138	1.0
147.11723	1.1
151.47063	0.7
155.08644	0.6
185.04227	0.9
201.03804	0.9
203.05322	2.3
243.08466	3.7
279.81088	0.7
301.09061	1.0
343.13602	0.7
347.09381	9.9
363.09109	2.2
365.10757	1.4
388.43213	0.7
405.13632	13.6
463.14545	1.3
465.20953	13.5
477.15927	0.8
509.07126	0.6
519.29169	1.3
535.16992	0.7
535.28784	7.9
627.26013	18.1
657.27454	1.1
681.34784	2.6
689.34790	0.7
697.34143	12.5
699.28278	1.1
729.32214	0.7
755.34064	0.7
757.39929	1.0
759.42609	4.1
851.40942	1.3
869.41064	1.3
891.48126	1.3
909.48077	3.7
920.47601	1.0
921.47992	100.0
922.48779	4.0
989.54102	15.8
1007.55396	63.3
1008.55634	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1007.5537
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02900	5.9
79.05470	6.8
80.96355	0.6
81.03426	3.3
81.07035	5.5
82.43304	0.6
83.04980	1.0
83.08628	0.7
84.23605	0.6
85.02887	9.0
85.03275	0.6
87.09171	0.6
91.03967	5.3
91.05460	6.7
92.05817	0.6
92.08655	2.1
93.07017	7.0
95.04969	2.5
95.08613	3.1
95.19962	0.5
97.02873	8.4
99.04456	1.0
101.02377	3.0
105.07027	6.6
107.08626	3.9
109.02889	0.9
109.10189	0.8
115.03926	0.7
117.07023	1.1
119.08585	2.8
121.10134	0.6
125.09554	0.7
127.03920	2.6
129.07036	1.1
131.08556	1.3
133.10135	2.2
135.11757	0.8
143.08470	0.7
145.10138	1.0
147.11723	1.1
151.47063	0.7
155.08644	0.6
185.04227	0.9
201.03804	0.9
203.05322	2.3
243.08466	3.7
279.81088	0.7
301.09061	1.0
343.13602	0.7
347.09381	9.9
363.09109	2.2
365.10757	1.4
388.43213	0.7
405.13632	13.6
463.14545	1.3
465.20953	13.5
477.15927	0.8
509.07126	0.6
519.29169	1.3
535.16992	0.7
535.28784	7.9
627.26013	18.1
657.27454	1.1
681.34784	2.6
689.34790	0.7
697.34143	12.5
699.28278	1.1
729.32214	0.7
755.34064	0.7
757.39929	1.0
759.42609	4.1
851.40942	1.3
869.41064	1.3
891.48126	1.3
909.48077	3.7
920.47601	1.0
921.47992	100.0
922.48779	4.0
989.54102	15.8
1007.55396	63.3
1008.55634	1.4
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1004.6131
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05471	64.2
81.03384	3.4
81.07034	100.0
83.04993	5.7
83.08608	15.5
85.02873	11.0
85.06523	3.9
86.09655	3.7
91.05455	38.3
92.08662	2.6
93.07019	64.1
93.40655	1.8
95.04934	11.0
95.08578	56.6
97.02869	3.2
97.06481	8.5
97.10153	4.2
105.07005	25.3
107.04905	4.2
107.08574	38.4
109.06507	4.2
109.10135	49.0
111.08061	3.1
117.06994	16.7
119.08550	27.1
121.06461	1.8
121.10105	31.9
123.08009	3.3
123.11668	3.5
124.99937	2.7
125.09615	3.7
131.08519	22.3
133.10103	17.4
135.08014	3.3
135.11653	18.4
139.97980	2.1
143.08522	3.0
145.10104	19.9
147.11682	13.5
149.09528	2.7
149.13255	14.0
151.11182	2.1
153.47127	1.7
157.10109	1.9
159.11639	11.7
161.13235	4.4
163.11180	2.9
173.11703	3.8
173.13196	7.5
176.68027	2.1
184.07306	10.1
187.14856	3.1
227.12679	3.4
229.14235	20.3
257.19006	2.7
261.22116	12.8
269.17368	8.9
275.20016	12.8
335.25745	90.3
349.23605	14.4
367.24689	7.8
489.35657	34.8
529.38776	41.9
609.45081	51.2
627.46100	31.0
720.21936	2.2
1004.51862	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	1002.5986
Annotation	Unknow
Peak:m/z	Relative Intensity
71.04986	4.7
79.05470	75.9
81.03390	7.6
81.07037	100.0
83.04944	17.3
83.08585	15.6
85.02879	5.8
85.06497	4.2
86.09661	3.3
91.05453	44.8
93.07013	66.8
95.04945	28.8
95.08569	48.9
97.02824	5.8
97.06494	14.5
97.10131	21.9
99.04471	2.9
103.05410	3.3
105.07013	36.7
107.04933	7.4
107.08579	46.0
109.06483	18.5
109.10119	16.4
111.04404	14.5
111.08056	6.5
117.06989	19.0
119.08574	39.6
121.06464	13.0
121.10088	22.2
123.04447	3.3
123.08052	22.4
123.11687	3.7
124.99896	4.6
125.09586	18.3
129.06949	4.7
131.08517	21.0
133.06445	4.7
133.10094	21.5
135.08040	7.5
135.11656	16.7
143.08534	5.8
145.10062	28.2
147.07944	12.0
147.11641	6.6
149.13239	4.3
157.10083	5.5
159.11621	6.7
161.09624	13.9
163.11125	21.8
184.07327	5.1
189.11205	13.5
227.12723	15.4
234.41597	3.9
243.49152	3.6
261.22009	5.6
273.18466	19.6
275.19861	3.8
291.19513	56.7
309.20184	3.6
335.25717	61.0
365.23083	31.6
383.24121	25.3
505.58096	4.3
607.43359	6.0
625.44592	60.7
643.45538	57.9
937.86841	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	1002.5981
Annotation	Unknow
Peak:m/z	Relative Intensity
71.01351	1.3
71.04972	7.4
73.02908	2.8
78.50158	1.3
79.05470	100.0
79.72404	1.4
80.28266	1.3
81.03406	12.5
81.07032	94.0
83.04952	13.9
83.08598	17.5
85.02901	13.6
85.06527	1.7
86.09650	1.5
91.03936	2.9
91.05460	96.9
92.09408	2.9
93.07018	89.8
95.04943	21.9
95.08578	55.8
96.35408	1.5
97.02865	8.9
97.06528	13.3
97.10140	10.4
99.04421	2.0
99.08068	2.0
102.24034	1.2
103.05448	5.5
105.04469	1.9
105.07006	97.9
107.04926	12.9
107.08570	55.3
109.06505	9.8
109.10122	25.8
111.08069	8.0
115.05440	6.4
116.06260	1.9
117.06992	39.6
119.08559	72.6
120.08874	1.3
121.06480	7.4
121.10101	29.6
123.08023	5.4
123.11694	7.2
125.09604	6.7
127.03915	5.9
128.06203	5.2
129.06978	29.3
130.07823	1.7
131.08540	52.5
133.06461	2.7
133.10094	59.1
135.08049	5.8
135.11679	22.8
137.09613	5.4
141.06972	8.9
142.07759	7.9
143.08534	27.4
145.06482	2.3
145.10095	39.8
147.08070	2.6
147.11665	35.8
149.09607	9.1
149.13245	13.0
150.46469	1.6
151.07542	1.7
151.11256	1.9
154.07724	2.0
155.08537	14.0
157.06543	2.4
157.10094	28.1
159.11665	36.6
161.09595	3.5
161.13200	19.8
163.11147	6.9
163.14754	2.1
165.07057	1.5
167.08556	5.9
168.09285	1.4
169.10091	14.8
171.08093	1.6
171.11652	21.0
172.24608	1.4
173.04243	1.7
173.13228	15.2
175.11189	2.3
175.14812	5.9
177.12668	3.0
179.08556	1.9
181.10022	9.8
183.11635	10.8
185.09590	1.5
185.13231	17.1
187.14751	5.2
189.12772	2.0
192.55563	1.5
193.10103	2.6
195.11644	8.2
197.13203	11.9
199.14784	10.5
207.11711	3.1
209.13272	6.6
211.14752	5.6
213.16386	7.3
220.37549	1.6
223.14778	4.9
225.16322	2.0
227.12651	1.7
235.14879	2.7
237.16449	2.4
239.17914	2.8
241.19345	13.0
249.16264	1.7
255.15898	2.8
257.18875	2.3
259.20505	40.9
269.17279	15.8
273.18576	2.1
275.19931	10.3
277.21649	1.9
283.20615	1.8
315.23141	2.7
333.24216	37.7
349.23767	10.9
351.22952	1.6
367.24615	2.2
387.16110	1.6
435.32309	7.7
436.25339	1.5
449.86337	2.0
453.33295	2.9
471.35275	1.5
509.35992	2.6
513.35492	23.6
515.38116	3.5
525.34991	1.7
527.37128	57.2
531.36975	3.0
533.39227	1.9
545.38068	9.5
607.34735	2.0
607.43500	36.6
625.44568	36.3
643.45282	2.3
653.39789	3.1
671.41162	2.4
689.42072	6.0
751.47791	2.0
769.47900	7.8
920.35889	1.6
931.24915	1.6
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1001.6011
Annotation	Unknow
Peak:m/z	Relative Intensity
73.02881	1.9
74.16239	1.0
79.05476	1.2
81.07037	2.0
85.02899	1.8
88.54031	1.0
91.03941	1.2
94.41054	0.9
97.02890	4.7
101.02364	1.3
116.36864	1.0
127.03925	1.1
134.04807	1.3
136.47664	1.0
136.75946	0.9
174.05669	1.0
240.57013	1.0
243.08372	1.4
301.33942	1.1
344.88583	1.1
347.09665	1.2
365.22919	1.8
405.13742	6.2
443.27542	1.2
497.30908	6.5
583.31268	7.5
659.36285	5.4
745.35968	4.8
849.62872	1.3
1001.59912	100.0
1002.60168	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	1000.583
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79612	1.2
71.04955	1.5
73.02913	2.0
79.05476	57.4
81.03389	8.7
81.07038	67.9
83.04951	9.7
83.08602	15.9
85.02878	13.9
85.06519	1.6
91.03929	6.1
91.05461	38.3
93.07024	57.7
95.04959	11.2
95.08581	38.3
97.02853	5.6
97.06503	2.6
97.10123	10.7
99.08067	2.1
105.07012	27.1
107.04934	8.8
107.08575	32.0
109.02856	3.1
109.06484	8.1
109.10130	15.3
111.04423	3.1
111.08065	2.8
115.05404	1.9
117.06979	16.2
119.08562	25.7
121.06481	5.7
121.10108	19.1
123.04385	2.5
123.08006	2.7
123.11676	3.5
125.09600	8.7
127.03858	2.1
129.06956	3.4
131.08533	13.7
133.10132	19.1
135.08015	15.3
135.11656	13.6
137.09589	2.8
143.08527	3.4
145.04994	1.5
145.06514	3.3
145.10110	14.4
147.08012	1.5
147.11655	6.4
149.13232	6.2
149.36656	1.6
153.12685	2.1
157.10126	2.3
159.07976	3.4
159.11653	6.0
161.09602	7.9
161.13187	5.9
163.07500	5.8
163.11205	1.9
163.14778	2.0
169.10020	1.5
173.13182	3.5
175.11143	1.6
179.10616	1.8
187.14786	1.4
193.12216	9.3
195.66130	1.4
227.12708	3.4
243.17342	1.6
261.21994	6.1
271.16858	3.6
283.15222	1.9
289.17892	13.8
307.18842	2.5
335.25723	75.7
363.21597	6.2
381.17999	3.0
381.22632	51.6
527.38818	1.6
543.36481	8.9
546.55994	1.6
623.43127	19.3
641.44043	100.0
642.43793	2.5
659.45270	2.1
765.38873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.583
Annotation	Unknow
Peak:m/z	Relative Intensity
70.79612	1.2
71.04955	1.5
73.02913	2.0
79.05476	57.4
81.03389	8.7
81.07038	67.9
83.04951	9.7
83.08602	15.9
85.02878	13.9
85.06519	1.6
91.03929	6.1
91.05461	38.3
93.07024	57.7
95.04959	11.2
95.08581	38.3
97.02853	5.6
97.06503	2.6
97.10123	10.7
99.08067	2.1
105.07012	27.1
107.04934	8.8
107.08575	32.0
109.02856	3.1
109.06484	8.1
109.10130	15.3
111.04423	3.1
111.08065	2.8
115.05404	1.9
117.06979	16.2
119.08562	25.7
121.06481	5.7
121.10108	19.1
123.04385	2.5
123.08006	2.7
123.11676	3.5
125.09600	8.7
127.03858	2.1
129.06956	3.4
131.08533	13.7
133.10132	19.1
135.08015	15.3
135.11656	13.6
137.09589	2.8
143.08527	3.4
145.04994	1.5
145.06514	3.3
145.10110	14.4
147.08012	1.5
147.11655	6.4
149.13232	6.2
149.36656	1.6
153.12685	2.1
157.10126	2.3
159.07976	3.4
159.11653	6.0
161.09602	7.9
161.13187	5.9
163.07500	5.8
163.11205	1.9
163.14778	2.0
169.10020	1.5
173.13182	3.5
175.11143	1.6
179.10616	1.8
187.14786	1.4
193.12216	9.3
195.66130	1.4
227.12708	3.4
243.17342	1.6
261.21994	6.1
271.16858	3.6
283.15222	1.9
289.17892	13.8
307.18842	2.5
335.25723	75.7
363.21597	6.2
381.17999	3.0
381.22632	51.6
527.38818	1.6
543.36481	8.9
546.55994	1.6
623.43127	19.3
641.44043	100.0
642.43793	2.5
659.45270	2.1
765.38873	1.8
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5829
Annotation	Unknow
Peak:m/z	Relative Intensity
71.32260	3.9
79.05482	70.0
81.03399	8.9
81.07036	80.2
83.04948	30.2
83.08624	16.0
85.02885	8.4
86.09689	4.5
91.05463	100.0
92.64147	3.9
93.07019	86.0
95.04945	25.4
95.08600	50.9
97.06474	5.1
105.07006	99.3
107.04916	10.0
107.08555	57.6
109.06534	5.8
109.10156	45.7
117.07001	21.4
119.08552	44.0
121.06468	7.9
121.10107	24.2
124.99998	6.2
129.06990	9.5
129.71754	4.0
131.08549	28.1
133.10086	60.2
135.11655	15.5
141.06956	3.6
143.08572	15.2
145.10120	20.3
147.11681	22.5
151.11200	8.4
155.08565	5.0
157.10138	7.2
159.08087	5.3
159.11716	7.8
161.13184	9.7
163.11186	9.3
170.53673	5.6
171.11673	9.9
173.13298	5.6
184.07339	20.4
185.13026	4.5
241.19492	6.6
253.14290	38.0
259.20514	22.7
263.69272	4.4
283.15302	5.8
289.17969	7.8
291.19467	7.7
299.53571	5.4
333.24301	22.6
335.25726	55.7
363.21555	5.2
365.23135	19.5
529.35168	19.2
543.36401	10.1
605.41632	7.9
623.42993	81.6
641.43872	27.7
END
BEGIN
MsLevel	MS2
Instrument	Q Exactive Orbitrap (Thermo Scientific)
InstrumentType	UPLC-ESI-Q-Orbitrap
IonMode	positive
CollisionEnergy	27.50(15eV,40eV)
PrecursorMz	1000.5831
Annotation	Unknow
Peak:m/z	Relative Intensity
79.05477	68.4
81.03399	14.2
81.07036	62.3
83.04960	6.4
83.08608	18.9
85.02888	5.8
91.05457	77.7
91.77106	3.5
93.07021	65.2
95.04927	26.2
95.08599	37.8
97.02890	14.9
97.06493	5.6
97.10164	19.0
105.07014	76.0
107.04963	5.7
107.08565	44.8
109.06487	6.3
109.10143	22.0
117.06989	37.0
119.08561	56.7
121.06466	3.5
121.10114	28.0
125.09633	14.4
129.06975	16.0
131.08542	40.0
133.10126	43.0
135.07980	4.2
135.11685	14.4
143.08562	22.1
145.10075	31.2
147.08034	5.6
147.11671	29.4
149.09532	3.7
149.13220	4.6
155.08534	6.8
157.10150	15.4
159.11696	20.2
161.13196	15.5
167.08539	4.2
169.10066	4.3
171.11720	7.6
177.12704	6.8
183.11557	4.5
184.07396	4.6
185.13159	8.2
193.10155	3.5
197.13197	3.6
199.14893	4.0
223.13252	17.0
227.12653	12.4
241.19516	13.8
243.03365	3.6
259.20547	30.2
262.15604	3.4
273.18555	4.9
291.19504	100.0
333.24194	33.8
365.23083	37.4
525.35760	6.3
543.36359	20.1
605.41516	13.4
623.42993	93.7
632.44617	4.7
641.43738	13.6
994.66687	4.1
997.85376	4.2
END